*HEADER    CELL ADHESION                           19-APR-13   2M78              
*TITLE     [ASP11]RTD-1                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: [ASP11]RTD-1;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    THETA-DEFENSIN, CYCLIC PEPTIDES, CYCLIC CYSTINE LADDER, INTEGRIN-     
*KEYWDS   2 BINDING, CELL ADHESION                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.C.CONIBEAR, A.BOCHEN, K.ROSENGREN, H.KESSLER, D.J.CRAIK             
*REVDAT   1   05-FEB-14 2M78    0                                                


! H proton - H proton
assign (resid  17 and name   HN)   (resid  17 and name   HB)   2.675    0.875    0.875  
assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.255    0.455    0.455  
assign (resid  18 and name   HN)   (resid  18 and name  HB1)   2.860    1.060    1.060  
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.970    1.170    1.170  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.520    0.720    0.720  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.520    0.720    0.720  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.905    1.105    1.105  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.550    0.750    0.750  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.270    0.470    0.470  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.735    0.935    0.935  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.815    1.015    1.015  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.270    0.470    0.470  
assign (resid   9 and name   HN)   (resid   9 and name   HA)   2.255    0.455    0.455  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.955    1.155    1.155  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.845    1.045    1.045  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.565    0.765    0.765  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.565    0.765    0.765  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.535    0.735    0.735  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.845    1.045    1.045  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.285    0.485    0.485  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.780    0.980    0.980  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.455    0.655    0.655  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.535    0.735    0.735  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.875    1.075    1.075  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.535    0.735    0.735  
assign (resid   1 and name   HN)   (resid  18 and name   HA)   2.455    0.655    0.655  
assign (resid   2 and name   HN)   (resid  17 and name   HN)   2.610    0.810    0.810  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.285    0.485    0.485  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.985    1.185    1.185  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   2.985    1.185    1.185  
assign (resid   3 and name   HA)   (resid  17 and name   HN)   2.625    0.825    0.825  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.130    0.330    0.330  
assign (resid   3 and name   HA)   (resid  16 and name   HA)   2.240    0.190    0.440 
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.565    0.765    0.765  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   2.890    1.090    1.090  
assign (resid   4 and name   HN)   (resid  15 and name   HN)   2.690    0.890    0.890  
assign (resid   4 and name   HN)   (resid  16 and name   HA)   2.625    0.825    0.825  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.240    0.440    0.440  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.315    1.515    1.515  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.130    0.330    0.330  
assign (resid   5 and name   HA)   (resid  15 and name   HN)   2.240    0.440    0.440  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   2.765    0.965    0.965  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.580    0.780    0.780  
assign (resid   6 and name   HN)   (resid  14 and name   HA)   2.315    0.515    0.515  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.100    0.300    0.300  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.180    0.380    0.380  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.535    0.735    0.735  
assign (resid   7 and name   HA)   (resid  12 and name   HA)   2.300    0.250    0.500 
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.640    0.840    0.840  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.625    0.825    0.825  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   3.470    1.670    1.670  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.625    0.825    0.825  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.225    0.425    0.425  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.425    0.625    0.625  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.550    0.750    0.750  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.300    0.500    0.500  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.815    1.015    1.015  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.595    0.795    0.795  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.145    0.345    0.345  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   3.315    1.515    1.515  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.195    0.395    0.395  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   2.815    1.015    1.015  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.595    0.795    0.795  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.210    0.410    0.410  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.145    0.345    0.345  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   2.830    1.030    1.030  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   2.675    0.875    0.875  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.225    0.425    0.425  
assign (resid  17 and name   HB)   (resid  18 and name   HN)   2.815    1.015    1.015  
assign (resid   1 and name   HN)   (resid  18 and name   HN)   2.625    0.825    0.825  
assign (resid  18 and name   HN)   (resid  18 and name  HD#)   4.090    2.290    2.290  
assign (resid  18 and name   HN)   (resid  18 and name  HG1)   3.230    1.430    1.430  
assign (resid  18 and name   HN)   (resid  18 and name  HG2)   3.230    1.430    1.430  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   4.090    2.290    2.290  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   3.920    2.120    2.120  
assign (resid   6 and name   HN)   (resid   6 and name   HG)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   4.090    2.290    2.290  
assign (resid   8 and name   HN)   (resid   8 and name  HG1)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 and name  HG2)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid   9 and name  HD#)   4.090    2.290    2.290  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   3.690    1.890    1.890  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   4.090    2.290    2.290  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   4.015    2.215    2.215  
assign (resid  15 and name   HN)   (resid  15 and name HG11)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid  15 and name HG12)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid  18 and name  HB2)   3.385    1.585    1.585  
assign (resid   1 and name   HN)   (resid  18 and name  HB1)   3.590    1.790    1.790  
assign (resid   2 and name   HN)   (resid  18 and name  HB1)   3.650    1.850    1.850  
assign (resid   4 and name  HD#)   (resid   5 and name   HN)   4.090    2.290    2.290  
assign (resid   4 and name  HG#)   (resid   5 and name   HN)   3.810    2.010    2.010  
assign (resid   9 and name   HA)   (resid   9 and name  HD#)   4.090    2.290    2.290  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   4.090    2.290    2.290  
assign (resid  18 and name   HA)   (resid  18 and name  HD#)   4.090    2.290    2.290  
assign (resid  17 and name   HN)   (resid  17 and name HG2#)   3.740    1.940    1.940  
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   4.700    2.900    2.900  
assign (resid  15 and name   HN)   (resid  15 and name HG2#)   3.630    1.830    1.830  
assign (resid  15 and name   HN)   (resid  15 and name HD1#)   3.635    1.835    1.835  
assign (resid   4 and name   HN)   (resid  15 and name HG2#)   4.115    2.315    2.315  
assign (resid   6 and name  HD#)   (resid   7 and name   HN)   4.700    2.900    2.900  
assign (resid  15 and name HG2#)   (resid  16 and name   HN)   3.570    1.770    1.770  
assign (resid  15 and name HD1#)   (resid  16 and name   HN)   3.635    1.835    1.835  
assign (resid  15 and name   HA)   (resid  15 and name HD1#)   3.620    1.820    1.820  
assign (resid  17 and name HG2#)   (resid  18 and name   HN)   3.880    2.080    2.080  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.705    0.905    0.905  
assign (resid  10 and name   HN)   (resid  10 and name  HA#)   2.180    0.380    0.380  
assign (resid  15 and name   HN)   (resid  15 and name HG1#)   3.265    1.465    1.465  
assign (resid  18 and name   HA)   (resid  18 and name  HG#)   2.675    0.875    0.875  
assign (resid   5 and name   HA)   (resid  14 and name   HA)   2.300    0.250  100.000
!
!Dihedral angles
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -130.8   47.1 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  143.8   39.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -130.8   46.5 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  142.8   25.7 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name CB   ) (resid    3 and name SG   )    1.0  -60.0   30.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -130.2   42.6 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  139.9   27.2 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -123.4   33.7 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  139.4   21.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name SG   )    1.0  -60.0   30.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -128.7   30.9 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  129.1   33.1 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -122.9   40.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  138.0   28.1 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name SG   )    1.0  -60.0   30.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -90.3   55.5 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  141.7   43.2 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  180.0   30.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0   50.0   40.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0   84.1   27.6 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0   -3.6   30.9 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0 -108.3   47.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  144.3   68.4 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -135.4   50.1 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  153.3   33.3 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name SG   )    1.0  -60.0   30.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -130.2   42.6 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  139.9   27.2 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -134.7   39.3 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  143.3   27.1 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name SG   )    1.0  -60.0   30.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -126.8   27.8 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  127.7   25.4 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -130.1   32.4 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  135.0   24.3 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name SG   )    1.0  -60.0   30.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -121.4   46.6 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  129.4   27.8 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG   )    1.0  180.0   30.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0   50.0   40.0 2
!
!Hbonds
assign (resid   2 and name   HN)   (resid  17 and name    O)   1.900    0.100    0.100  
assign (resid   2 and name    N)   (resid  17 and name    O)   2.400    0.600    0.600  
assign (resid   2 and name    O)   (resid  17 and name   HN)   1.900    0.100    0.100  
assign (resid   2 and name    O)   (resid  17 and name    N)   2.400    0.600    0.600  
assign (resid   4 and name   HN)   (resid  15 and name    O)   1.900    0.100    0.100  
assign (resid   4 and name    N)   (resid  15 and name    O)   2.400    0.600    0.600  
assign (resid   4 and name    O)   (resid  15 and name   HN)   1.900    0.100    0.100  
assign (resid   4 and name    O)   (resid  15 and name    N)   2.400    0.600    0.600  
assign (resid   6 and name   HN)   (resid  13 and name    O)   1.900    0.100    0.100  
assign (resid   6 and name    N)   (resid  13 and name    O)   2.400    0.600    0.600  
assign (resid   6 and name    O)   (resid  13 and name   HN)   1.900    0.100    0.100  
assign (resid   6 and name    O)   (resid  13 and name    N)   2.400    0.600    0.600  
assign (resid   8 and name   HN)   (resid  11 and name    O)   1.900    0.100    0.100  
assign (resid   8 and name    N)   (resid  11 and name    O)   2.400    0.600    0.600  
assign (resid   8 and name    O)   (resid  11 and name   HN)   1.900    0.100    0.100  
assign (resid   8 and name    O)   (resid  11 and name    N)   2.400    0.600    0.600  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -10.859   0.087   2.643
    2    HA2  GLY   1           2HA      GLY   1 -11.542  -2.163   3.019
    3    HA3  GLY   1           1HA      GLY   1 -12.954  -1.856   2.009
    4    H    PHE   2           H        PHE   2 -10.306  -0.538   0.571
    5    HA   PHE   2           HA       PHE   2  -9.892  -2.866  -1.160
    6    HB2  PHE   2           2HB      PHE   2 -11.040  -1.056  -2.311
    7    HB3  PHE   2           1HB      PHE   2  -9.839   0.102  -1.746
    8    HD1  PHE   2           2HD      PHE   2 -10.303  -2.875  -3.895
    9    HD2  PHE   2           1HD      PHE   2  -7.935   0.551  -3.038
   10    HE1  PHE   2           2HE      PHE   2  -9.020  -3.254  -5.952
   11    HE2  PHE   2           1HE      PHE   2  -6.644   0.182  -5.096
   12    HZ   PHE   2           HZ       PHE   2  -7.181  -1.723  -6.558
   13    H    CYS   3           H        CYS   3  -7.785  -3.421  -1.563
   14    HA   CYS   3           HA       CYS   3  -5.794  -1.810  -0.150
   15    HB2  CYS   3           2HB      CYS   3  -5.674  -4.770  -0.663
   16    HB3  CYS   3           1HB      CYS   3  -4.504  -3.820   0.233
   17    H    ARG   4           H        ARG   4  -4.198  -1.061  -1.161
   18    HA   ARG   4           HA       ARG   4  -3.591  -2.000  -3.864
   19    HB2  ARG   4           2HB      ARG   4  -2.863   0.371  -4.359
   20    HB3  ARG   4           1HB      ARG   4  -4.589   0.204  -4.102
   21    HG2  ARG   4           2HG      ARG   4  -4.289   1.041  -1.790
   22    HG3  ARG   4           1HG      ARG   4  -2.577   1.270  -2.135
   23    HD2  ARG   4           2HD      ARG   4  -4.834   2.596  -3.643
   24    HD3  ARG   4           1HD      ARG   4  -3.907   3.355  -2.351
   25    HE   ARG   4           HE       ARG   4  -2.146   2.410  -4.293
   26   HH11  ARG   4          1HH1      ARG   4  -4.568   4.985  -3.906
   27   HH12  ARG   4          2HH1      ARG   4  -3.823   6.050  -4.994
   28   HH21  ARG   4          1HH2      ARG   4  -1.147   3.867  -5.829
   29   HH22  ARG   4          2HH2      ARG   4  -1.832   5.389  -6.134
   30    H    CYS   5           H        CYS   5  -1.344  -2.219  -4.288
   31    HA   CYS   5           HA       CYS   5   0.090  -2.179  -1.797
   32    HB2  CYS   5           2HB      CYS   5   0.494  -4.044  -4.124
   33    HB3  CYS   5           1HB      CYS   5   1.382  -4.082  -2.606
   34    H    LEU   6           H        LEU   6   2.364  -1.750  -1.834
   35    HA   LEU   6           HA       LEU   6   3.303  -0.418  -4.236
   36    HB2  LEU   6           2HB      LEU   6   4.077   1.517  -3.061
   37    HB3  LEU   6           1HB      LEU   6   2.352   1.364  -2.848
   38    HG   LEU   6           HG       LEU   6   4.341   0.510  -0.729
   39   HD11  LEU   6          1HD1      LEU   6   4.678   2.869  -1.259
   40   HD12  LEU   6          2HD1      LEU   6   3.946   2.655   0.326
   41   HD13  LEU   6          3HD1      LEU   6   2.950   3.161  -1.040
   42   HD21  LEU   6          3HD2      LEU   6   1.410   1.257  -0.583
   43   HD22  LEU   6          1HD2      LEU   6   2.433   0.808   0.781
   44   HD23  LEU   6          2HD2      LEU   6   2.063  -0.376  -0.476
   45    H    CYS   7           H        CYS   7   5.528  -0.197  -4.341
   46    HA   CYS   7           HA       CYS   7   6.991  -1.666  -2.322
   47    HB2  CYS   7           2HB      CYS   7   7.534  -1.629  -5.305
   48    HB3  CYS   7           1HB      CYS   7   8.624  -2.320  -4.107
   49    H    ARG   8           H        ARG   8   8.157  -0.407  -1.239
   50    HA   ARG   8           HA       ARG   8   9.023   2.126  -2.399
   51    HB2  ARG   8           2HB      ARG   8   7.373   2.346  -0.638
   52    HB3  ARG   8           1HB      ARG   8   8.269   1.270   0.402
   53    HG2  ARG   8           2HG      ARG   8   9.480   3.870  -0.422
   54    HG3  ARG   8           1HG      ARG   8   8.222   3.845   0.812
   55    HD2  ARG   8           2HD      ARG   8  10.881   2.434   0.856
   56    HD3  ARG   8           1HD      ARG   8  10.358   3.757   1.901
   57    HE   ARG   8           HE       ARG   8   9.302   1.009   1.944
   58   HH11  ARG   8          1HH1      ARG   8   9.863   4.072   3.657
   59   HH12  ARG   8          2HH1      ARG   8   9.415   3.440   5.164
   60   HH21  ARG   8          1HH2      ARG   8   8.702   0.178   3.966
   61   HH22  ARG   8          2HH2      ARG   8   8.723   1.175   5.363
   62    H    ARG   9           H        ARG   9  10.974   1.644  -3.211
   63    HA   ARG   9           HA       ARG   9  13.180   1.240  -3.371
   64    HB2  ARG   9           2HB      ARG   9  13.260   2.874  -1.474
   65    HB3  ARG   9           1HB      ARG   9  13.199   1.531  -0.349
   66    HG2  ARG   9           2HG      ARG   9  15.384   0.766  -1.160
   67    HG3  ARG   9           1HG      ARG   9  15.432   2.114  -2.300
   68    HD2  ARG   9           2HD      ARG   9  15.399   3.695  -0.456
   69    HD3  ARG   9           1HD      ARG   9  15.259   2.373   0.700
   70    HE   ARG   9           HE       ARG   9  17.528   1.930  -0.827
   71   HH11  ARG   9          1HH1      ARG   9  16.392   4.310   1.546
   72   HH12  ARG   9          2HH1      ARG   9  17.935   4.642   2.166
   73   HH21  ARG   9          1HH2      ARG   9  19.676   2.387   0.049
   74   HH22  ARG   9          2HH2      ARG   9  19.823   3.549   1.287
   75    H    GLY  10           H        GLY  10  11.456  -0.944  -3.271
   76    HA2  GLY  10           2HA      GLY  10  11.990  -3.230  -3.556
   77    HA3  GLY  10           1HA      GLY  10  13.310  -3.042  -2.411
   78    H    ASP  11           H        ASP  11  11.216  -1.488  -0.761
   79    HA   ASP  11           HA       ASP  11  10.400  -3.779   0.799
   80    HB2  ASP  11           2HB      ASP  11  11.339  -1.903   2.004
   81    HB3  ASP  11           1HB      ASP  11  10.202  -0.796   1.258
   82    H    CYS  12           H        CYS  12   8.761  -4.775  -0.230
   83    HA   CYS  12           HA       CYS  12   6.511  -3.198  -1.168
   84    HB2  CYS  12           2HB      CYS  12   6.949  -6.155  -1.336
   85    HB3  CYS  12           1HB      CYS  12   5.690  -5.239  -2.140
   86    H    ARG  13           H        ARG  13   4.701  -3.103  -0.375
   87    HA   ARG  13           HA       ARG  13   3.690  -4.867   1.648
   88    HB2  ARG  13           2HB      ARG  13   3.395  -3.148   3.392
   89    HB3  ARG  13           1HB      ARG  13   5.092  -3.450   3.061
   90    HG2  ARG  13           2HG      ARG  13   5.146  -1.388   1.690
   91    HG3  ARG  13           1HG      ARG  13   3.464  -1.077   2.154
   92    HD2  ARG  13           2HD      ARG  13   5.002   0.172   3.584
   93    HD3  ARG  13           1HD      ARG  13   4.133  -1.058   4.511
   94    HE   ARG  13           HE       ARG  13   6.891  -1.417   3.515
   95   HH11  ARG  13          1HH1      ARG  13   4.577  -1.632   6.185
   96   HH12  ARG  13          2HH1      ARG  13   5.621  -2.497   7.197
   97   HH21  ARG  13          1HH2      ARG  13   8.296  -2.614   4.853
   98   HH22  ARG  13          2HH2      ARG  13   7.836  -3.065   6.435
   99    H    CYS  14           H        CYS  14   1.431  -4.056   2.333
  100    HA   CYS  14           HA       CYS  14   0.387  -2.614   0.063
  101    HB2  CYS  14           2HB      CYS  14  -1.002  -4.837   1.563
  102    HB3  CYS  14           1HB      CYS  14  -1.692  -3.924   0.232
  103    H    ILE  15           H        ILE  15  -1.322  -1.194   0.364
  104    HA   ILE  15           HA       ILE  15  -1.857  -0.541   3.164
  105    HB   ILE  15           HB       ILE  15  -0.409   1.188   2.210
  106   HG12  ILE  15          2HG1      ILE  15  -3.247   2.205   2.538
  107   HG13  ILE  15          1HG1      ILE  15  -2.112   1.897   3.841
  108   HG21  ILE  15          1HG2      ILE  15  -0.891   0.940  -0.140
  109   HG22  ILE  15          2HG2      ILE  15  -1.113   2.620   0.339
  110   HG23  ILE  15          3HG2      ILE  15  -2.517   1.578   0.095
  111   HD11  ILE  15          3HD1      ILE  15  -0.667   3.687   3.001
  112   HD12  ILE  15          1HD1      ILE  15  -2.291   4.271   3.360
  113   HD13  ILE  15          2HD1      ILE  15  -1.807   3.984   1.691
  114    H    CYS  16           H        CYS  16  -3.969  -0.280   3.717
  115    HA   CYS  16           HA       CYS  16  -5.881  -0.705   1.542
  116    HB2  CYS  16           2HB      CYS  16  -6.153  -1.566   4.410
  117    HB3  CYS  16           1HB      CYS  16  -7.280  -1.905   3.109
  118    H    THR  17           H        THR  17  -7.646   0.450   1.424
  119    HA   THR  17           HA       THR  17  -8.549   2.150   3.496
  120    HB   THR  17           HB       THR  17  -6.857   3.636   2.657
  121    HG1  THR  17           1HG      THR  17  -8.171   5.247   2.706
  122   HG21  THR  17          3HG2      THR  17  -8.043   3.258  -0.103
  123   HG22  THR  17          1HG2      THR  17  -6.464   2.683   0.432
  124   HG23  THR  17          2HG2      THR  17  -6.775   4.414   0.304
  125    H    ARG  18           H        ARG  18 -10.624   2.700   3.161
  126    HA   ARG  18           HA       ARG  18 -12.764   2.583   2.420
  127    HB2  ARG  18           2HB      ARG  18 -11.858   3.771   0.425
  128    HB3  ARG  18           1HB      ARG  18 -11.525   2.223  -0.330
  129    HG2  ARG  18           2HG      ARG  18 -13.937   1.737  -0.118
  130    HG3  ARG  18           1HG      ARG  18 -14.196   3.420   0.312
  131    HD2  ARG  18           2HD      ARG  18 -13.101   4.113  -1.800
  132    HD3  ARG  18           1HD      ARG  18 -12.956   2.421  -2.262
  133    HE   ARG  18           HE       ARG  18 -15.602   2.833  -1.686
  134   HH11  ARG  18          1HH1      ARG  18 -13.309   3.992  -4.099
  135   HH12  ARG  18          2HH1      ARG  18 -14.513   4.397  -5.247
  136   HH21  ARG  18          1HH2      ARG  18 -17.230   3.386  -3.252
  137   HH22  ARG  18          2HH2      ARG  18 -16.770   4.069  -4.760
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -10.460  -0.006   3.313
    2    HA2  GLY   1           2HA      GLY   1 -11.043  -2.274   3.257
    3    HA3  GLY   1           1HA      GLY   1 -12.424  -1.876   2.254
    4    H    PHE   2           H        PHE   2 -10.390  -0.287   0.554
    5    HA   PHE   2           HA       PHE   2  -9.812  -2.522  -1.212
    6    HB2  PHE   2           2HB      PHE   2 -10.891  -0.586  -2.207
    7    HB3  PHE   2           1HB      PHE   2  -9.628   0.476  -1.582
    8    HD1  PHE   2           2HD      PHE   2 -10.234  -2.339  -3.916
    9    HD2  PHE   2           1HD      PHE   2  -7.736   0.933  -2.866
   10    HE1  PHE   2           2HE      PHE   2  -8.973  -2.634  -6.009
   11    HE2  PHE   2           1HE      PHE   2  -6.471   0.642  -4.949
   12    HZ   PHE   2           HZ       PHE   2  -7.095  -1.144  -6.525
   13    H    CYS   3           H        CYS   3  -7.774  -3.180  -1.678
   14    HA   CYS   3           HA       CYS   3  -5.610  -1.741  -0.309
   15    HB2  CYS   3           2HB      CYS   3  -5.802  -4.733  -0.533
   16    HB3  CYS   3           1HB      CYS   3  -4.569  -3.820   0.310
   17    H    ARG   4           H        ARG   4  -4.004  -1.251  -1.489
   18    HA   ARG   4           HA       ARG   4  -3.501  -2.798  -3.896
   19    HB2  ARG   4           2HB      ARG   4  -2.851  -0.737  -5.149
   20    HB3  ARG   4           1HB      ARG   4  -4.546  -0.776  -4.728
   21    HG2  ARG   4           2HG      ARG   4  -3.967   1.438  -4.383
   22    HG3  ARG   4           1HG      ARG   4  -3.852   0.766  -2.763
   23    HD2  ARG   4           2HD      ARG   4  -1.427   0.645  -2.961
   24    HD3  ARG   4           1HD      ARG   4  -1.524   1.180  -4.644
   25    HE   ARG   4           HE       ARG   4  -2.805   3.038  -3.001
   26   HH11  ARG   4          1HH1      ARG   4   0.488   2.096  -3.951
   27   HH12  ARG   4          2HH1      ARG   4   1.172   3.589  -3.456
   28   HH21  ARG   4          1HH2      ARG   4  -1.827   5.068  -2.407
   29   HH22  ARG   4          2HH2      ARG   4  -0.145   5.278  -2.596
   30    H    CYS   5           H        CYS   5  -1.306  -3.047  -4.451
   31    HA   CYS   5           HA       CYS   5   0.223  -2.611  -2.051
   32    HB2  CYS   5           2HB      CYS   5   0.739  -4.659  -4.176
   33    HB3  CYS   5           1HB      CYS   5   1.555  -4.524  -2.626
   34    H    LEU   6           H        LEU   6   2.220  -1.910  -2.017
   35    HA   LEU   6           HA       LEU   6   3.162  -0.499  -4.433
   36    HB2  LEU   6           2HB      LEU   6   2.002   1.067  -2.963
   37    HB3  LEU   6           1HB      LEU   6   2.956   0.527  -1.605
   38    HG   LEU   6           HG       LEU   6   4.989   1.414  -2.800
   39   HD11  LEU   6          1HD1      LEU   6   4.125   1.495  -5.054
   40   HD12  LEU   6          2HD1      LEU   6   4.655   3.093  -4.529
   41   HD13  LEU   6          3HD1      LEU   6   2.935   2.706  -4.573
   42   HD21  LEU   6          3HD2      LEU   6   2.805   3.339  -2.033
   43   HD22  LEU   6          1HD2      LEU   6   4.515   3.755  -2.187
   44   HD23  LEU   6          2HD2      LEU   6   3.992   2.606  -0.958
   45    H    CYS   7           H        CYS   7   5.346  -0.637  -4.724
   46    HA   CYS   7           HA       CYS   7   6.915  -1.777  -2.537
   47    HB2  CYS   7           2HB      CYS   7   7.604  -1.623  -5.488
   48    HB3  CYS   7           1HB      CYS   7   8.564  -2.381  -4.209
   49    H    ARG   8           H        ARG   8   7.840  -0.464  -1.367
   50    HA   ARG   8           HA       ARG   8   8.661   2.138  -2.461
   51    HB2  ARG   8           2HB      ARG   8   6.658   2.069  -0.895
   52    HB3  ARG   8           1HB      ARG   8   7.752   1.517   0.354
   53    HG2  ARG   8           2HG      ARG   8   8.963   3.607   0.264
   54    HG3  ARG   8           1HG      ARG   8   7.956   4.162  -1.081
   55    HD2  ARG   8           2HD      ARG   8   5.959   3.882   0.401
   56    HD3  ARG   8           1HD      ARG   8   7.056   3.539   1.729
   57    HE   ARG   8           HE       ARG   8   7.776   5.983   0.604
   58   HH11  ARG   8          1HH1      ARG   8   5.210   4.535   2.589
   59   HH12  ARG   8          2HH1      ARG   8   4.628   6.015   3.184
   60   HH21  ARG   8          1HH2      ARG   8   6.980   8.011   1.443
   61   HH22  ARG   8          2HH2      ARG   8   5.659   8.062   2.521
   62    H    ARG   9           H        ARG   9  10.775   2.015  -2.688
   63    HA   ARG   9           HA       ARG   9  12.944   1.628  -2.418
   64    HB2  ARG   9           2HB      ARG   9  12.572   3.290  -0.564
   65    HB3  ARG   9           1HB      ARG   9  12.370   1.947   0.550
   66    HG2  ARG   9           2HG      ARG   9  14.673   1.240   0.123
   67    HG3  ARG   9           1HG      ARG   9  14.869   2.565  -1.018
   68    HD2  ARG   9           2HD      ARG   9  14.235   2.885   1.911
   69    HD3  ARG   9           1HD      ARG   9  15.843   3.023   1.208
   70    HE   ARG   9           HE       ARG   9  14.126   4.767  -0.129
   71   HH11  ARG   9          1HH1      ARG   9  15.724   4.387   3.004
   72   HH12  ARG   9          2HH1      ARG   9  15.677   6.031   3.408
   73   HH21  ARG   9          1HH2      ARG   9  14.073   7.077   0.422
   74   HH22  ARG   9          2HH2      ARG   9  14.743   7.594   1.905
   75    H    GLY  10           H        GLY  10  11.574  -0.596  -2.830
   76    HA2  GLY  10           2HA      GLY  10  12.402  -2.775  -3.023
   77    HA3  GLY  10           1HA      GLY  10  13.290  -2.542  -1.527
   78    H    ASP  11           H        ASP  11  10.756  -1.427  -0.234
   79    HA   ASP  11           HA       ASP  11   9.910  -4.091   0.581
   80    HB2  ASP  11           2HB      ASP  11  10.535  -2.492   2.350
   81    HB3  ASP  11           1HB      ASP  11   9.244  -1.415   1.822
   82    H    CYS  12           H        CYS  12   8.288  -4.950  -0.459
   83    HA   CYS  12           HA       CYS  12   6.172  -3.202  -1.426
   84    HB2  CYS  12           2HB      CYS  12   6.332  -6.166  -1.650
   85    HB3  CYS  12           1HB      CYS  12   5.291  -5.101  -2.562
   86    H    ARG  13           H        ARG  13   4.594  -2.807  -0.467
   87    HA   ARG  13           HA       ARG  13   3.709  -4.389   1.849
   88    HB2  ARG  13           2HB      ARG  13   5.207  -2.380   2.411
   89    HB3  ARG  13           1HB      ARG  13   3.912  -1.375   1.797
   90    HG2  ARG  13           2HG      ARG  13   3.791  -1.451   4.194
   91    HG3  ARG  13           1HG      ARG  13   2.408  -2.320   3.520
   92    HD2  ARG  13           2HD      ARG  13   3.464  -3.489   5.437
   93    HD3  ARG  13           1HD      ARG  13   3.475  -4.447   3.961
   94    HE   ARG  13           HE       ARG  13   5.887  -3.324   3.827
   95   HH11  ARG  13          1HH1      ARG  13   4.310  -4.910   6.574
   96   HH12  ARG  13          2HH1      ARG  13   5.768  -5.387   7.293
   97   HH21  ARG  13          1HH2      ARG  13   7.819  -4.000   4.750
   98   HH22  ARG  13          2HH2      ARG  13   7.835  -4.852   6.234
   99    H    CYS  14           H        CYS  14   1.411  -4.177   2.127
  100    HA   CYS  14           HA       CYS  14   0.238  -2.869  -0.149
  101    HB2  CYS  14           2HB      CYS  14  -1.040  -4.983   1.533
  102    HB3  CYS  14           1HB      CYS  14  -1.705  -4.284   0.071
  103    H    ILE  15           H        ILE  15  -1.104  -1.373  -0.017
  104    HA   ILE  15           HA       ILE  15  -1.563  -0.194   2.643
  105    HB   ILE  15           HB       ILE  15  -1.617   1.142  -0.083
  106   HG12  ILE  15          2HG1      ILE  15   0.674   0.460   0.482
  107   HG13  ILE  15          1HG1      ILE  15   0.517   2.208   0.547
  108   HG21  ILE  15          1HG2      ILE  15  -1.640   3.267   1.158
  109   HG22  ILE  15          2HG2      ILE  15  -1.745   2.369   2.672
  110   HG23  ILE  15          3HG2      ILE  15  -3.062   2.278   1.504
  111   HD11  ILE  15          3HD1      ILE  15   0.581   0.331   2.907
  112   HD12  ILE  15          1HD1      ILE  15   0.395   2.085   3.000
  113   HD13  ILE  15          2HD1      ILE  15   1.885   1.386   2.369
  114    H    CYS  16           H        CYS  16  -3.567  -0.378   3.359
  115    HA   CYS  16           HA       CYS  16  -5.724  -0.723   1.423
  116    HB2  CYS  16           2HB      CYS  16  -5.721  -1.257   4.385
  117    HB3  CYS  16           1HB      CYS  16  -7.054  -1.570   3.289
  118    H    THR  17           H        THR  17  -7.439   0.539   1.375
  119    HA   THR  17           HA       THR  17  -7.814   2.699   3.258
  120    HB   THR  17           HB       THR  17  -7.733   3.242   0.326
  121    HG1  THR  17           1HG      THR  17  -5.652   2.970   2.098
  122   HG21  THR  17          3HG2      THR  17  -8.973   4.816   1.700
  123   HG22  THR  17          1HG2      THR  17  -7.527   5.592   1.053
  124   HG23  THR  17          2HG2      THR  17  -7.559   5.054   2.730
  125    H    ARG  18           H        ARG  18  -9.923   2.783   3.569
  126    HA   ARG  18           HA       ARG  18 -12.086   2.244   3.593
  127    HB2  ARG  18           2HB      ARG  18 -11.896   4.115   1.882
  128    HB3  ARG  18           1HB      ARG  18 -12.009   2.883   0.637
  129    HG2  ARG  18           2HG      ARG  18 -14.152   2.201   1.513
  130    HG3  ARG  18           1HG      ARG  18 -14.086   3.463   2.733
  131    HD2  ARG  18           2HD      ARG  18 -15.454   4.263   0.912
  132    HD3  ARG  18           1HD      ARG  18 -13.941   5.159   0.924
  133    HE   ARG  18           HE       ARG  18 -13.766   2.931  -0.813
  134   HH11  ARG  18          1HH1      ARG  18 -15.189   6.143  -0.618
  135   HH12  ARG  18          2HH1      ARG  18 -15.244   6.386  -2.302
  136   HH21  ARG  18          1HH2      ARG  18 -13.811   3.267  -3.108
  137   HH22  ARG  18          2HH2      ARG  18 -14.436   4.725  -3.757
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -10.871  -0.501   3.051
    2    HA2  GLY   1           2HA      GLY   1 -11.611  -2.592   2.307
    3    HA3  GLY   1           1HA      GLY   1 -12.816  -1.784   1.312
    4    H    PHE   2           H        PHE   2 -10.612  -0.001   0.247
    5    HA   PHE   2           HA       PHE   2  -9.951  -1.731  -1.977
    6    HB2  PHE   2           2HB      PHE   2 -10.758   0.527  -2.385
    7    HB3  PHE   2           1HB      PHE   2  -9.410   1.181  -1.453
    8    HD1  PHE   2           1HD      PHE   2 -10.437  -0.346  -4.635
    9    HD2  PHE   2           2HD      PHE   2  -7.216   1.380  -2.450
   10    HE1  PHE   2           1HE      PHE   2  -9.147  -0.122  -6.709
   11    HE2  PHE   2           2HE      PHE   2  -5.923   1.603  -4.523
   12    HZ   PHE   2           HZ       PHE   2  -6.890   0.854  -6.659
   13    H    CYS   3           H        CYS   3  -8.149  -2.728  -2.107
   14    HA   CYS   3           HA       CYS   3  -5.941  -1.834  -0.402
   15    HB2  CYS   3           2HB      CYS   3  -6.533  -4.638  -1.294
   16    HB3  CYS   3           1HB      CYS   3  -5.113  -4.152  -0.389
   17    H    ARG   4           H        ARG   4  -4.152  -1.382  -1.186
   18    HA   ARG   4           HA       ARG   4  -3.509  -2.137  -3.926
   19    HB2  ARG   4           2HB      ARG   4  -2.606   0.150  -4.306
   20    HB3  ARG   4           1HB      ARG   4  -4.347   0.135  -4.085
   21    HG2  ARG   4           2HG      ARG   4  -4.128   0.962  -1.837
   22    HG3  ARG   4           1HG      ARG   4  -2.376   0.810  -1.910
   23    HD2  ARG   4           2HD      ARG   4  -2.303   2.523  -3.654
   24    HD3  ARG   4           1HD      ARG   4  -4.060   2.655  -3.595
   25    HE   ARG   4           HE       ARG   4  -3.930   3.610  -1.477
   26   HH11  ARG   4          1HH1      ARG   4  -0.704   3.170  -2.915
   27   HH12  ARG   4          2HH1      ARG   4   0.065   4.202  -1.809
   28   HH21  ARG   4          1HH2      ARG   4  -2.838   5.027   0.016
   29   HH22  ARG   4          2HH2      ARG   4  -1.148   5.259  -0.087
   30    H    CYS   5           H        CYS   5  -1.475  -2.924  -4.033
   31    HA   CYS   5           HA       CYS   5   0.099  -2.534  -1.673
   32    HB2  CYS   5           2HB      CYS   5   0.437  -4.581  -3.875
   33    HB3  CYS   5           1HB      CYS   5   1.512  -4.418  -2.498
   34    H    LEU   6           H        LEU   6   2.382  -2.080  -1.859
   35    HA   LEU   6           HA       LEU   6   3.166  -0.781  -4.346
   36    HB2  LEU   6           2HB      LEU   6   2.034   0.957  -3.084
   37    HB3  LEU   6           1HB      LEU   6   3.023   0.614  -1.681
   38    HG   LEU   6           HG       LEU   6   5.017   1.355  -2.981
   39   HD11  LEU   6          1HD1      LEU   6   4.672   2.686  -5.003
   40   HD12  LEU   6          2HD1      LEU   6   2.969   2.221  -5.011
   41   HD13  LEU   6          3HD1      LEU   6   4.224   0.996  -5.231
   42   HD21  LEU   6          3HD2      LEU   6   3.926   2.851  -1.411
   43   HD22  LEU   6          1HD2      LEU   6   2.786   3.356  -2.656
   44   HD23  LEU   6          2HD2      LEU   6   4.501   3.746  -2.813
   45    H    CYS   7           H        CYS   7   5.210  -1.332  -4.763
   46    HA   CYS   7           HA       CYS   7   6.930  -2.019  -2.543
   47    HB2  CYS   7           2HB      CYS   7   7.393  -2.299  -5.520
   48    HB3  CYS   7           1HB      CYS   7   8.533  -2.768  -4.253
   49    H    ARG   8           H        ARG   8   7.889  -0.605  -1.583
   50    HA   ARG   8           HA       ARG   8   8.723   1.865  -2.927
   51    HB2  ARG   8           2HB      ARG   8   6.830   2.223  -1.439
   52    HB3  ARG   8           1HB      ARG   8   7.630   1.360  -0.144
   53    HG2  ARG   8           2HG      ARG   8   7.753   3.669   0.353
   54    HG3  ARG   8           1HG      ARG   8   9.366   3.171  -0.154
   55    HD2  ARG   8           2HD      ARG   8   8.859   4.038  -2.420
   56    HD3  ARG   8           1HD      ARG   8   7.309   4.621  -1.810
   57    HE   ARG   8           HE       ARG   8   9.591   5.500  -0.322
   58   HH11  ARG   8          1HH1      ARG   8   7.196   6.351  -2.782
   59   HH12  ARG   8          2HH1      ARG   8   7.776   7.905  -3.068
   60   HH21  ARG   8          1HH2      ARG   8  10.388   7.705  -0.614
   61   HH22  ARG   8          2HH2      ARG   8   9.658   8.726  -1.764
   62    H    ARG   9           H        ARG   9  10.899   2.007  -2.941
   63    HA   ARG   9           HA       ARG   9  13.100   1.800  -2.437
   64    HB2  ARG   9           2HB      ARG   9  12.402   3.043  -0.402
   65    HB3  ARG   9           1HB      ARG   9  12.029   1.533   0.397
   66    HG2  ARG   9           2HG      ARG   9  14.412   0.944   0.371
   67    HG3  ARG   9           1HG      ARG   9  14.770   2.476  -0.418
   68    HD2  ARG   9           2HD      ARG   9  14.012   3.716   1.476
   69    HD3  ARG   9           1HD      ARG   9  13.367   2.260   2.235
   70    HE   ARG   9           HE       ARG   9  15.949   1.659   1.946
   71   HH11  ARG   9          1HH1      ARG   9  14.451   4.582   3.271
   72   HH12  ARG   9          2HH1      ARG   9  15.613   4.784   4.498
   73   HH21  ARG   9          1HH2      ARG   9  17.549   1.962   3.645
   74   HH22  ARG   9          2HH2      ARG   9  17.398   3.278   4.715
   75    H    GLY  10           H        GLY  10  11.584  -0.536  -3.169
   76    HA2  GLY  10           2HA      GLY  10  12.208  -2.729  -3.655
   77    HA3  GLY  10           1HA      GLY  10  13.520  -2.586  -2.496
   78    H    ASP  11           H        ASP  11  11.117  -1.508  -0.754
   79    HA   ASP  11           HA       ASP  11  10.588  -4.118   0.418
   80    HB2  ASP  11           2HB      ASP  11  11.672  -2.589   1.909
   81    HB3  ASP  11           1HB      ASP  11  10.570  -1.293   1.474
   82    H    CYS  12           H        CYS  12   8.616  -4.924   0.128
   83    HA   CYS  12           HA       CYS  12   6.608  -3.141  -0.990
   84    HB2  CYS  12           2HB      CYS  12   6.570  -6.127  -0.921
   85    HB3  CYS  12           1HB      CYS  12   5.528  -5.072  -1.858
   86    H    ARG  13           H        ARG  13   4.874  -2.674  -0.170
   87    HA   ARG  13           HA       ARG  13   4.018  -3.910   2.342
   88    HB2  ARG  13           2HB      ARG  13   4.189  -0.935   1.776
   89    HB3  ARG  13           1HB      ARG  13   3.480  -1.656   3.213
   90    HG2  ARG  13           2HG      ARG  13   6.368  -1.938   2.423
   91    HG3  ARG  13           1HG      ARG  13   5.749  -0.739   3.564
   92    HD2  ARG  13           2HD      ARG  13   5.092  -2.395   5.089
   93    HD3  ARG  13           1HD      ARG  13   5.290  -3.694   3.912
   94    HE   ARG  13           HE       ARG  13   7.724  -2.696   4.026
   95   HH11  ARG  13          1HH1      ARG  13   5.559  -3.397   6.730
   96   HH12  ARG  13          2HH1      ARG  13   6.792  -4.003   7.738
   97   HH21  ARG  13          1HH2      ARG  13   9.359  -3.571   5.311
   98   HH22  ARG  13          2HH2      ARG  13   9.048  -4.104   6.914
   99    H    CYS  14           H        CYS  14   1.695  -3.540   2.679
  100    HA   CYS  14           HA       CYS  14   0.484  -2.657   0.232
  101    HB2  CYS  14           2HB      CYS  14  -0.533  -4.860   2.017
  102    HB3  CYS  14           1HB      CYS  14  -1.415  -4.209   0.644
  103    H    ILE  15           H        ILE  15  -1.358  -1.452   0.364
  104    HA   ILE  15           HA       ILE  15  -1.932  -0.381   3.032
  105    HB   ILE  15           HB       ILE  15  -1.798   1.235   0.448
  106   HG12  ILE  15          2HG1      ILE  15  -0.048   2.603   1.792
  107   HG13  ILE  15          1HG1      ILE  15   0.044   1.210   2.853
  108   HG21  ILE  15          1HG2      ILE  15  -2.282   3.202   1.823
  109   HG22  ILE  15          2HG2      ILE  15  -2.486   2.153   3.228
  110   HG23  ILE  15          3HG2      ILE  15  -3.590   2.018   1.864
  111   HD11  ILE  15          3HD1      ILE  15   0.701   1.241  -0.090
  112   HD12  ILE  15          1HD1      ILE  15   0.808  -0.165   0.972
  113   HD13  ILE  15          2HD1      ILE  15   1.858   1.231   1.236
  114    H    CYS  16           H        CYS  16  -3.983  -0.791   3.522
  115    HA   CYS  16           HA       CYS  16  -5.929  -0.850   1.355
  116    HB2  CYS  16           2HB      CYS  16  -6.156  -1.972   4.143
  117    HB3  CYS  16           1HB      CYS  16  -7.414  -2.021   2.928
  118    H    THR  17           H        THR  17  -7.601   0.419   1.390
  119    HA   THR  17           HA       THR  17  -7.999   2.272   3.592
  120    HB   THR  17           HB       THR  17  -7.806   3.160   0.778
  121    HG1  THR  17           1HG      THR  17  -5.824   2.644   2.634
  122   HG21  THR  17          3HG2      THR  17  -7.514   5.403   1.810
  123   HG22  THR  17          1HG2      THR  17  -7.699   4.642   3.389
  124   HG23  THR  17          2HG2      THR  17  -9.034   4.616   2.235
  125    H    ARG  18           H        ARG  18 -10.021   2.120   3.928
  126    HA   ARG  18           HA       ARG  18 -12.265   1.705   3.827
  127    HB2  ARG  18           2HB      ARG  18 -12.071   3.971   2.851
  128    HB3  ARG  18           1HB      ARG  18 -11.924   3.269   1.258
  129    HG2  ARG  18           2HG      ARG  18 -14.166   2.262   1.625
  130    HG3  ARG  18           1HG      ARG  18 -14.329   3.283   3.052
  131    HD2  ARG  18           2HD      ARG  18 -15.360   4.356   1.079
  132    HD3  ARG  18           1HD      ARG  18 -13.994   5.294   1.685
  133    HE   ARG  18           HE       ARG  18 -12.859   3.729  -0.183
  134   HH11  ARG  18          1HH1      ARG  18 -15.720   5.785  -0.385
  135   HH12  ARG  18          2HH1      ARG  18 -15.447   6.227  -2.014
  136   HH21  ARG  18          1HH2      ARG  18 -12.496   4.286  -2.359
  137   HH22  ARG  18          2HH2      ARG  18 -13.552   5.328  -3.185
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -10.729   0.386   2.553
    2    HA2  GLY   1           2HA      GLY   1 -11.453  -1.786   2.981
    3    HA3  GLY   1           1HA      GLY   1 -12.686  -1.576   1.747
    4    H    PHE   2           H        PHE   2 -10.174  -0.541   0.104
    5    HA   PHE   2           HA       PHE   2  -9.676  -3.196  -1.018
    6    HB2  PHE   2           2HB      PHE   2 -10.634  -1.487  -2.542
    7    HB3  PHE   2           1HB      PHE   2  -9.251  -0.444  -2.225
    8    HD1  PHE   2           2HD      PHE   2 -10.374  -3.543  -3.830
    9    HD2  PHE   2           1HD      PHE   2  -7.148  -0.818  -3.328
   10    HE1  PHE   2           2HE      PHE   2  -9.176  -4.621  -5.688
   11    HE2  PHE   2           1HE      PHE   2  -5.946  -1.894  -5.181
   12    HZ   PHE   2           HZ       PHE   2  -6.965  -3.801  -6.360
   13    H    CYS   3           H        CYS   3  -7.598  -3.956  -1.205
   14    HA   CYS   3           HA       CYS   3  -5.602  -2.355   0.176
   15    HB2  CYS   3           2HB      CYS   3  -5.608  -5.300  -0.294
   16    HB3  CYS   3           1HB      CYS   3  -4.424  -4.409   0.635
   17    H    ARG   4           H        ARG   4  -4.143  -1.516  -0.799
   18    HA   ARG   4           HA       ARG   4  -3.462  -2.298  -3.563
   19    HB2  ARG   4           2HB      ARG   4  -4.685  -0.159  -3.381
   20    HB3  ARG   4           1HB      ARG   4  -3.488   0.426  -2.238
   21    HG2  ARG   4           2HG      ARG   4  -1.780   0.281  -4.022
   22    HG3  ARG   4           1HG      ARG   4  -3.053  -0.196  -5.150
   23    HD2  ARG   4           2HD      ARG   4  -2.984   2.373  -3.582
   24    HD3  ARG   4           1HD      ARG   4  -2.539   2.213  -5.280
   25    HE   ARG   4           HE       ARG   4  -5.084   1.222  -5.144
   26   HH11  ARG   4          1HH1      ARG   4  -3.649   4.343  -4.175
   27   HH12  ARG   4          2HH1      ARG   4  -5.061   5.215  -4.511
   28   HH21  ARG   4          1HH2      ARG   4  -6.989   2.445  -5.564
   29   HH22  ARG   4          2HH2      ARG   4  -7.023   4.125  -5.324
   30    H    CYS   5           H        CYS   5  -1.202  -2.514  -3.944
   31    HA   CYS   5           HA       CYS   5   0.300  -2.181  -1.527
   32    HB2  CYS   5           2HB      CYS   5   0.869  -3.900  -3.878
   33    HB3  CYS   5           1HB      CYS   5   2.191  -3.379  -2.878
   34    H    LEU   6           H        LEU   6   2.095  -1.309  -1.304
   35    HA   LEU   6           HA       LEU   6   2.882   0.698  -3.305
   36    HB2  LEU   6           2HB      LEU   6   2.686   1.046  -0.298
   37    HB3  LEU   6           1HB      LEU   6   3.545   2.155  -1.333
   38    HG   LEU   6           HG       LEU   6   1.478   3.158  -0.773
   39   HD11  LEU   6          1HD1      LEU   6   2.120   3.555  -3.020
   40   HD12  LEU   6          2HD1      LEU   6   0.363   3.481  -2.904
   41   HD13  LEU   6          3HD1      LEU   6   1.262   2.117  -3.571
   42   HD21  LEU   6          3HD2      LEU   6   0.046   0.692  -1.751
   43   HD22  LEU   6          1HD2      LEU   6  -0.721   2.167  -1.165
   44   HD23  LEU   6          2HD2      LEU   6   0.237   1.167  -0.066
   45    H    CYS   7           H        CYS   7   4.997   0.643  -3.785
   46    HA   CYS   7           HA       CYS   7   6.663  -1.021  -2.079
   47    HB2  CYS   7           2HB      CYS   7   6.918  -0.485  -5.046
   48    HB3  CYS   7           1HB      CYS   7   8.047  -1.440  -4.090
   49    H    ARG   8           H        ARG   8   8.466  -0.190  -1.277
   50    HA   ARG   8           HA       ARG   8   9.464   2.356  -2.307
   51    HB2  ARG   8           2HB      ARG   8   8.235   2.776  -0.223
   52    HB3  ARG   8           1HB      ARG   8   9.182   1.539   0.590
   53    HG2  ARG   8           2HG      ARG   8  11.203   2.861   0.284
   54    HG3  ARG   8           1HG      ARG   8  10.277   4.091  -0.571
   55    HD2  ARG   8           2HD      ARG   8   9.761   3.236   2.272
   56    HD3  ARG   8           1HD      ARG   8  10.703   4.650   1.810
   57    HE   ARG   8           HE       ARG   8   8.152   4.667   0.594
   58   HH11  ARG   8          1HH1      ARG   8   9.678   5.205   3.733
   59   HH12  ARG   8          2HH1      ARG   8   8.584   6.418   4.220
   60   HH21  ARG   8          1HH2      ARG   8   6.652   6.308   1.245
   61   HH22  ARG   8          2HH2      ARG   8   6.838   7.069   2.756
   62    H    ARG   9           H        ARG   9  11.145   1.571  -3.356
   63    HA   ARG   9           HA       ARG   9  13.121   0.635  -3.852
   64    HB2  ARG   9           2HB      ARG   9  13.762   2.366  -2.165
   65    HB3  ARG   9           1HB      ARG   9  13.703   1.139  -0.918
   66    HG2  ARG   9           2HG      ARG   9  16.002   1.624  -1.607
   67    HG3  ARG   9           1HG      ARG   9  15.553  -0.045  -1.961
   68    HD2  ARG   9           2HD      ARG   9  16.828   1.044  -3.787
   69    HD3  ARG   9           1HD      ARG   9  15.239   0.479  -4.294
   70    HE   ARG   9           HE       ARG   9  15.119   3.171  -3.469
   71   HH11  ARG   9          1HH1      ARG   9  16.396   1.229  -6.163
   72   HH12  ARG   9          2HH1      ARG   9  16.144   2.423  -7.336
   73   HH21  ARG   9          1HH2      ARG   9  14.784   4.842  -5.122
   74   HH22  ARG   9          2HH2      ARG   9  15.218   4.522  -6.733
   75    H    GLY  10           H        GLY  10  11.431  -1.277  -3.768
   76    HA2  GLY  10           2HA      GLY  10  11.698  -3.611  -3.848
   77    HA3  GLY  10           1HA      GLY  10  12.912  -3.494  -2.582
   78    H    ASP  11           H        ASP  11  11.193  -1.790  -0.893
   79    HA   ASP  11           HA       ASP  11   9.902  -3.938   0.491
   80    HB2  ASP  11           2HB      ASP  11  11.025  -2.217   1.771
   81    HB3  ASP  11           1HB      ASP  11  10.012  -0.972   1.057
   82    H    CYS  12           H        CYS  12   8.203  -4.668  -0.596
   83    HA   CYS  12           HA       CYS  12   6.081  -2.774  -1.248
   84    HB2  CYS  12           2HB      CYS  12   6.337  -5.651  -1.976
   85    HB3  CYS  12           1HB      CYS  12   5.073  -4.568  -2.513
   86    H    ARG  13           H        ARG  13   4.490  -2.665  -0.148
   87    HA   ARG  13           HA       ARG  13   3.544  -4.849   1.549
   88    HB2  ARG  13           2HB      ARG  13   3.374  -3.446   3.546
   89    HB3  ARG  13           1HB      ARG  13   5.042  -3.532   3.014
   90    HG2  ARG  13           2HG      ARG  13   4.800  -1.312   1.979
   91    HG3  ARG  13           1HG      ARG  13   3.147  -1.226   2.592
   92    HD2  ARG  13           2HD      ARG  13   4.626  -0.019   4.080
   93    HD3  ARG  13           1HD      ARG  13   4.018  -1.464   4.888
   94    HE   ARG  13           HE       ARG  13   6.583  -1.692   3.549
   95   HH11  ARG  13          1HH1      ARG  13   4.945  -1.122   6.650
   96   HH12  ARG  13          2HH1      ARG  13   6.317  -1.535   7.579
   97   HH21  ARG  13          1HH2      ARG  13   8.365  -2.319   4.792
   98   HH22  ARG  13          2HH2      ARG  13   8.306  -2.270   6.508
   99    H    CYS  14           H        CYS  14   1.312  -4.660   2.012
  100    HA   CYS  14           HA       CYS  14   0.109  -2.719   0.277
  101    HB2  CYS  14           2HB      CYS  14  -0.885  -5.322   1.236
  102    HB3  CYS  14           1HB      CYS  14  -2.072  -4.085   0.925
  103    H    ILE  15           H        ILE  15  -1.271  -1.432   0.667
  104    HA   ILE  15           HA       ILE  15  -1.927  -0.804   3.477
  105    HB   ILE  15           HB       ILE  15  -1.438   1.155   1.198
  106   HG12  ILE  15          2HG1      ILE  15   0.088   0.731   3.782
  107   HG13  ILE  15          1HG1      ILE  15   0.633   0.252   2.179
  108   HG21  ILE  15          1HG2      ILE  15  -1.839   2.947   2.829
  109   HG22  ILE  15          2HG2      ILE  15  -2.277   1.743   4.040
  110   HG23  ILE  15          3HG2      ILE  15  -3.271   1.943   2.594
  111   HD11  ILE  15          3HD1      ILE  15   0.182   3.069   3.143
  112   HD12  ILE  15          1HD1      ILE  15   0.707   2.616   1.521
  113   HD13  ILE  15          2HD1      ILE  15   1.738   2.276   2.908
  114    H    CYS  16           H        CYS  16  -4.080  -0.683   3.846
  115    HA   CYS  16           HA       CYS  16  -5.751  -0.893   1.462
  116    HB2  CYS  16           2HB      CYS  16  -6.597  -1.555   4.282
  117    HB3  CYS  16           1HB      CYS  16  -7.379  -2.016   2.780
  118    H    THR  17           H        THR  17  -7.290   0.413   0.997
  119    HA   THR  17           HA       THR  17  -8.068   2.511   2.831
  120    HB   THR  17           HB       THR  17  -7.286   3.165  -0.000
  121    HG1  THR  17           1HG      THR  17  -5.716   2.812   2.231
  122   HG21  THR  17          3HG2      THR  17  -8.793   4.719   1.120
  123   HG22  THR  17          1HG2      THR  17  -7.216   5.472   0.879
  124   HG23  THR  17          2HG2      THR  17  -7.670   4.856   2.467
  125    H    ARG  18           H        ARG  18 -10.206   2.929   2.531
  126    HA   ARG  18           HA       ARG  18 -12.334   2.737   1.885
  127    HB2  ARG  18           2HB      ARG  18 -11.390   3.960  -0.142
  128    HB3  ARG  18           1HB      ARG  18 -11.267   2.404  -0.939
  129    HG2  ARG  18           2HG      ARG  18 -13.697   2.115  -0.560
  130    HG3  ARG  18           1HG      ARG  18 -13.751   3.790  -0.010
  131    HD2  ARG  18           2HD      ARG  18 -12.892   4.557  -2.156
  132    HD3  ARG  18           1HD      ARG  18 -12.813   2.890  -2.734
  133    HE   ARG  18           HE       ARG  18 -15.391   3.831  -1.836
  134   HH11  ARG  18          1HH1      ARG  18 -13.280   3.149  -4.613
  135   HH12  ARG  18          2HH1      ARG  18 -14.505   3.318  -5.774
  136   HH21  ARG  18          1HH2      ARG  18 -17.097   4.042  -3.443
  137   HH22  ARG  18          2HH2      ARG  18 -16.723   3.803  -5.086
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -11.406  -1.754   3.002
    2    HA2  GLY   1           2HA      GLY   1 -11.686  -3.749   1.923
    3    HA3  GLY   1           1HA      GLY   1 -13.035  -3.044   1.061
    4    H    PHE   2           H        PHE   2 -10.352  -1.102   0.504
    5    HA   PHE   2           HA       PHE   2  -9.645  -2.712  -1.844
    6    HB2  PHE   2           2HB      PHE   2 -10.928  -0.722  -2.464
    7    HB3  PHE   2           1HB      PHE   2  -9.760   0.299  -1.616
    8    HD1  PHE   2           2HD      PHE   2 -10.243  -1.958  -4.490
    9    HD2  PHE   2           1HD      PHE   2  -7.758   0.984  -2.689
   10    HE1  PHE   2           2HE      PHE   2  -8.950  -1.783  -6.571
   11    HE2  PHE   2           1HE      PHE   2  -6.457   1.170  -4.774
   12    HZ   PHE   2           HZ       PHE   2  -7.058  -0.220  -6.719
   13    H    CYS   3           H        CYS   3  -7.602  -3.146  -2.078
   14    HA   CYS   3           HA       CYS   3  -5.693  -1.779  -0.339
   15    HB2  CYS   3           2HB      CYS   3  -5.678  -4.655  -1.227
   16    HB3  CYS   3           1HB      CYS   3  -4.397  -3.876  -0.302
   17    H    ARG   4           H        ARG   4  -3.894  -1.084  -1.165
   18    HA   ARG   4           HA       ARG   4  -3.190  -1.660  -3.932
   19    HB2  ARG   4           2HB      ARG   4  -4.488   0.344  -4.056
   20    HB3  ARG   4           1HB      ARG   4  -3.725   0.998  -2.622
   21    HG2  ARG   4           2HG      ARG   4  -1.679   1.358  -3.843
   22    HG3  ARG   4           1HG      ARG   4  -2.365   0.589  -5.278
   23    HD2  ARG   4           2HD      ARG   4  -2.429   3.124  -5.248
   24    HD3  ARG   4           1HD      ARG   4  -3.956   2.309  -5.566
   25    HE   ARG   4           HE       ARG   4  -4.460   2.683  -3.150
   26   HH11  ARG   4          1HH1      ARG   4  -2.157   4.852  -4.726
   27   HH12  ARG   4          2HH1      ARG   4  -2.623   6.208  -3.812
   28   HH21  ARG   4          1HH2      ARG   4  -5.066   4.507  -1.906
   29   HH22  ARG   4          2HH2      ARG   4  -4.325   6.018  -2.158
   30    H    CYS   5           H        CYS   5  -0.896  -1.762  -4.135
   31    HA   CYS   5           HA       CYS   5   0.388  -1.361  -1.584
   32    HB2  CYS   5           2HB      CYS   5   1.194  -3.255  -3.758
   33    HB3  CYS   5           1HB      CYS   5   2.014  -3.056  -2.225
   34    H    LEU   6           H        LEU   6   2.369  -0.501  -1.445
   35    HA   LEU   6           HA       LEU   6   3.383   0.902  -3.825
   36    HB2  LEU   6           2HB      LEU   6   2.247   2.300  -1.981
   37    HB3  LEU   6           1HB      LEU   6   3.570   1.838  -0.938
   38    HG   LEU   6           HG       LEU   6   3.779   4.135  -1.807
   39   HD11  LEU   6          1HD1      LEU   6   5.928   2.320  -2.838
   40   HD12  LEU   6          2HD1      LEU   6   5.806   2.996  -1.216
   41   HD13  LEU   6          3HD1      LEU   6   6.069   4.062  -2.597
   42   HD21  LEU   6          3HD2      LEU   6   4.008   2.848  -4.524
   43   HD22  LEU   6          1HD2      LEU   6   4.286   4.550  -4.158
   44   HD23  LEU   6          2HD2      LEU   6   2.679   3.856  -3.949
   45    H    CYS   7           H        CYS   7   5.528   0.468  -4.234
   46    HA   CYS   7           HA       CYS   7   6.956  -1.107  -2.222
   47    HB2  CYS   7           2HB      CYS   7   6.986  -1.514  -5.218
   48    HB3  CYS   7           1HB      CYS   7   7.994  -2.383  -4.067
   49    H    ARG   8           H        ARG   8   8.959  -0.552  -1.766
   50    HA   ARG   8           HA       ARG   8  10.382   1.447  -3.428
   51    HB2  ARG   8           2HB      ARG   8  10.199   1.420  -0.419
   52    HB3  ARG   8           1HB      ARG   8  11.085   2.567  -1.400
   53    HG2  ARG   8           2HG      ARG   8   9.087   3.571  -2.173
   54    HG3  ARG   8           1HG      ARG   8   8.107   2.258  -1.505
   55    HD2  ARG   8           2HD      ARG   8   9.759   4.238   0.039
   56    HD3  ARG   8           1HD      ARG   8   7.995   4.182  -0.052
   57    HE   ARG   8           HE       ARG   8   8.694   1.707   0.826
   58   HH11  ARG   8          1HH1      ARG   8   9.320   4.972   1.999
   59   HH12  ARG   8          2HH1      ARG   8   9.436   4.497   3.625
   60   HH21  ARG   8          1HH2      ARG   8   8.905   1.053   3.028
   61   HH22  ARG   8          2HH2      ARG   8   9.196   2.252   4.226
   62    H    ARG   9           H        ARG   9  12.081   0.130  -4.096
   63    HA   ARG   9           HA       ARG   9  14.047  -1.041  -3.956
   64    HB2  ARG   9           2HB      ARG   9  14.617   0.805  -2.385
   65    HB3  ARG   9           1HB      ARG   9  13.909  -0.091  -1.067
   66    HG2  ARG   9           2HG      ARG   9  15.691  -1.781  -1.315
   67    HG3  ARG   9           1HG      ARG   9  16.426  -0.779  -2.579
   68    HD2  ARG   9           2HD      ARG   9  16.719   1.035  -1.041
   69    HD3  ARG   9           1HD      ARG   9  15.828   0.177   0.212
   70    HE   ARG   9           HE       ARG   9  18.162  -1.194  -0.738
   71   HH11  ARG   9          1HH1      ARG   9  16.902   1.128   1.626
   72   HH12  ARG   9          2HH1      ARG   9  18.194   0.955   2.712
   73   HH21  ARG   9          1HH2      ARG   9  19.960  -1.454   0.782
   74   HH22  ARG   9          2HH2      ARG   9  19.974  -0.563   2.220
   75    H    GLY  10           H        GLY  10  11.561  -2.414  -3.628
   76    HA2  GLY  10           2HA      GLY  10  11.175  -4.728  -3.466
   77    HA3  GLY  10           1HA      GLY  10  12.556  -4.863  -2.384
   78    H    ASP  11           H        ASP  11  11.322  -2.415  -0.965
   79    HA   ASP  11           HA       ASP  11   9.855  -3.963   0.979
   80    HB2  ASP  11           2HB      ASP  11  11.373  -2.282   1.834
   81    HB3  ASP  11           1HB      ASP  11  10.597  -1.027   0.871
   82    H    CYS  12           H        CYS  12   7.861  -4.495   0.340
   83    HA   CYS  12           HA       CYS  12   6.267  -2.360  -0.802
   84    HB2  CYS  12           2HB      CYS  12   5.649  -5.300  -0.704
   85    HB3  CYS  12           1HB      CYS  12   4.668  -4.066  -1.446
   86    H    ARG  13           H        ARG  13   4.674  -1.599   0.101
   87    HA   ARG  13           HA       ARG  13   3.739  -2.721   2.629
   88    HB2  ARG  13           2HB      ARG  13   5.378  -0.773   2.896
   89    HB3  ARG  13           1HB      ARG  13   4.156   0.224   2.128
   90    HG2  ARG  13           2HG      ARG  13   2.631  -0.126   3.893
   91    HG3  ARG  13           1HG      ARG  13   3.657  -1.357   4.634
   92    HD2  ARG  13           2HD      ARG  13   4.288   1.574   4.330
   93    HD3  ARG  13           1HD      ARG  13   3.888   0.720   5.825
   94    HE   ARG  13           HE       ARG  13   6.116  -0.473   4.551
   95   HH11  ARG  13          1HH1      ARG  13   5.195   2.197   6.680
   96   HH12  ARG  13          2HH1      ARG  13   6.778   2.505   7.218
   97   HH21  ARG  13          1HH2      ARG  13   8.299  -0.075   5.316
   98   HH22  ARG  13          2HH2      ARG  13   8.563   1.151   6.485
   99    H    CYS  14           H        CYS  14   1.550  -2.704   2.718
  100    HA   CYS  14           HA       CYS  14   0.370  -1.569   0.342
  101    HB2  CYS  14           2HB      CYS  14  -0.633  -3.948   1.865
  102    HB3  CYS  14           1HB      CYS  14  -1.321  -3.298   0.388
  103    H    ILE  15           H        ILE  15  -1.281  -0.391   0.423
  104    HA   ILE  15           HA       ILE  15  -2.239   0.346   3.079
  105    HB   ILE  15           HB       ILE  15  -1.136   2.242   2.078
  106   HG12  ILE  15          2HG1      ILE  15  -4.133   2.644   1.882
  107   HG13  ILE  15          1HG1      ILE  15  -3.174   2.732   3.355
  108   HG21  ILE  15          1HG2      ILE  15  -1.808   3.264  -0.047
  109   HG22  ILE  15          2HG2      ILE  15  -2.915   1.918  -0.331
  110   HG23  ILE  15          3HG2      ILE  15  -1.181   1.628  -0.257
  111   HD11  ILE  15          3HD1      ILE  15  -2.927   4.568   0.989
  112   HD12  ILE  15          1HD1      ILE  15  -2.000   4.674   2.487
  113   HD13  ILE  15          2HD1      ILE  15  -3.743   4.941   2.507
  114    H    CYS  16           H        CYS  16  -4.147  -0.424   3.557
  115    HA   CYS  16           HA       CYS  16  -6.068  -0.769   1.383
  116    HB2  CYS  16           2HB      CYS  16  -6.141  -1.995   4.136
  117    HB3  CYS  16           1HB      CYS  16  -7.241  -2.310   2.821
  118    H    THR  17           H        THR  17  -7.893   0.232   1.425
  119    HA   THR  17           HA       THR  17  -8.794   1.581   3.834
  120    HB   THR  17           HB       THR  17  -8.808   3.047   1.217
  121    HG1  THR  17           1HG      THR  17  -6.743   2.705   3.064
  122   HG21  THR  17          3HG2      THR  17  -9.002   3.969   4.093
  123   HG22  THR  17          1HG2      THR  17 -10.344   3.818   2.955
  124   HG23  THR  17          2HG2      THR  17  -9.082   5.022   2.683
  125    H    ARG  18           H        ARG  18 -10.852   1.253   4.028
  126    HA   ARG  18           HA       ARG  18 -12.738   0.142   3.817
  127    HB2  ARG  18           2HB      ARG  18 -13.016   2.561   3.162
  128    HB3  ARG  18           1HB      ARG  18 -13.135   1.997   1.502
  129    HG2  ARG  18           2HG      ARG  18 -15.250   2.381   2.480
  130    HG3  ARG  18           1HG      ARG  18 -15.075   0.650   2.084
  131    HD2  ARG  18           2HD      ARG  18 -14.522   0.239   4.479
  132    HD3  ARG  18           1HD      ARG  18 -14.746   1.953   4.800
  133    HE   ARG  18           HE       ARG  18 -17.092   1.177   3.732
  134   HH11  ARG  18          1HH1      ARG  18 -15.115  -0.129   6.378
  135   HH12  ARG  18          2HH1      ARG  18 -16.409  -0.592   7.336
  136   HH21  ARG  18          1HH2      ARG  18 -18.915   0.519   5.046
  137   HH22  ARG  18          2HH2      ARG  18 -18.659  -0.219   6.553
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -10.950  -0.397   3.414
    2    HA2  GLY   1           2HA      GLY   1 -11.145  -2.694   3.286
    3    HA3  GLY   1           1HA      GLY   1 -12.700  -2.457   2.508
    4    H    PHE   2           H        PHE   2 -10.185  -0.818   0.941
    5    HA   PHE   2           HA       PHE   2  -9.923  -3.011  -0.992
    6    HB2  PHE   2           2HB      PHE   2 -11.377  -1.170  -1.810
    7    HB3  PHE   2           1HB      PHE   2 -10.069  -0.032  -1.543
    8    HD1  PHE   2           2HD      PHE   2 -10.921  -3.118  -3.429
    9    HD2  PHE   2           1HD      PHE   2  -8.608   0.450  -3.281
   10    HE1  PHE   2           2HE      PHE   2 -10.144  -3.530  -5.722
   11    HE2  PHE   2           1HE      PHE   2  -7.826   0.039  -5.572
   12    HZ   PHE   2           HZ       PHE   2  -8.588  -1.954  -6.791
   13    H    CYS   3           H        CYS   3  -7.828  -3.288  -1.875
   14    HA   CYS   3           HA       CYS   3  -5.759  -1.725  -0.507
   15    HB2  CYS   3           2HB      CYS   3  -5.701  -4.690  -1.061
   16    HB3  CYS   3           1HB      CYS   3  -4.426  -3.749  -0.307
   17    H    ARG   4           H        ARG   4  -4.095  -1.101  -1.648
   18    HA   ARG   4           HA       ARG   4  -3.492  -2.274  -4.286
   19    HB2  ARG   4           2HB      ARG   4  -3.403   0.651  -3.475
   20    HB3  ARG   4           1HB      ARG   4  -2.571   0.031  -4.883
   21    HG2  ARG   4           2HG      ARG   4  -5.555  -0.029  -4.457
   22    HG3  ARG   4           1HG      ARG   4  -4.687   1.163  -5.424
   23    HD2  ARG   4           2HD      ARG   4  -3.829  -0.738  -6.831
   24    HD3  ARG   4           1HD      ARG   4  -4.919  -1.801  -5.936
   25    HE   ARG   4           HE       ARG   4  -6.248   0.463  -7.015
   26   HH11  ARG   4          1HH1      ARG   4  -5.090  -2.770  -7.904
   27   HH12  ARG   4          2HH1      ARG   4  -6.239  -2.984  -9.145
   28   HH21  ARG   4          1HH2      ARG   4  -7.788   0.155  -8.796
   29   HH22  ARG   4          2HH2      ARG   4  -7.780  -1.307  -9.651
   30    H    CYS   5           H        CYS   5  -1.136  -2.420  -4.620
   31    HA   CYS   5           HA       CYS   5   0.151  -2.054  -2.079
   32    HB2  CYS   5           2HB      CYS   5   0.759  -4.123  -4.174
   33    HB3  CYS   5           1HB      CYS   5   1.673  -3.900  -2.688
   34    H    LEU   6           H        LEU   6   2.382  -1.551  -1.983
   35    HA   LEU   6           HA       LEU   6   3.336   0.108  -4.188
   36    HB2  LEU   6           2HB      LEU   6   2.187   1.646  -2.788
   37    HB3  LEU   6           1HB      LEU   6   2.816   0.912  -1.334
   38    HG   LEU   6           HG       LEU   6   5.053   1.824  -1.871
   39   HD11  LEU   6          1HD1      LEU   6   3.645   3.184  -4.149
   40   HD12  LEU   6          2HD1      LEU   6   4.943   1.986  -4.260
   41   HD13  LEU   6          3HD1      LEU   6   5.263   3.576  -3.574
   42   HD21  LEU   6          3HD2      LEU   6   3.574   3.040  -0.386
   43   HD22  LEU   6          1HD2      LEU   6   2.839   3.864  -1.763
   44   HD23  LEU   6          2HD2      LEU   6   4.531   4.160  -1.352
   45    H    CYS   7           H        CYS   7   5.472  -0.248  -4.525
   46    HA   CYS   7           HA       CYS   7   7.003  -1.552  -2.392
   47    HB2  CYS   7           2HB      CYS   7   7.502  -1.537  -5.371
   48    HB3  CYS   7           1HB      CYS   7   8.574  -2.275  -4.185
   49    H    ARG   8           H        ARG   8   8.309  -0.420  -1.260
   50    HA   ARG   8           HA       ARG   8   9.522   1.943  -2.500
   51    HB2  ARG   8           2HB      ARG   8   8.789   1.457   0.391
   52    HB3  ARG   8           1HB      ARG   8   9.729   2.828  -0.172
   53    HG2  ARG   8           2HG      ARG   8   6.900   2.230  -1.028
   54    HG3  ARG   8           1HG      ARG   8   7.326   3.336   0.271
   55    HD2  ARG   8           2HD      ARG   8   6.872   4.599  -1.740
   56    HD3  ARG   8           1HD      ARG   8   8.590   4.711  -1.377
   57    HE   ARG   8           HE       ARG   8   8.075   2.595  -3.202
   58   HH11  ARG   8          1HH1      ARG   8   8.128   6.135  -3.165
   59   HH12  ARG   8          2HH1      ARG   8   8.703   6.260  -4.767
   60   HH21  ARG   8          1HH2      ARG   8   8.879   2.763  -5.341
   61   HH22  ARG   8          2HH2      ARG   8   9.174   4.289  -6.029
   62    H    ARG   9           H        ARG   9  11.364   1.242  -3.203
   63    HA   ARG   9           HA       ARG   9  13.451   0.463  -3.303
   64    HB2  ARG   9           2HB      ARG   9  13.687   2.333  -1.659
   65    HB3  ARG   9           1HB      ARG   9  13.501   1.172  -0.358
   66    HG2  ARG   9           2HG      ARG   9  15.568   0.100  -0.958
   67    HG3  ARG   9           1HG      ARG   9  15.741   1.138  -2.375
   68    HD2  ARG   9           2HD      ARG   9  15.875   3.091  -0.933
   69    HD3  ARG   9           1HD      ARG   9  15.668   2.073   0.489
   70    HE   ARG   9           HE       ARG   9  17.832   1.077  -0.898
   71   HH11  ARG   9          1HH1      ARG   9  17.020   4.155   0.635
   72   HH12  ARG   9          2HH1      ARG   9  18.587   4.487   1.165
   73   HH21  ARG   9          1HH2      ARG   9  19.991   1.527  -0.244
   74   HH22  ARG   9          2HH2      ARG   9  20.356   2.943   0.639
   75    H    GLY  10           H        GLY  10  11.642  -1.493  -3.137
   76    HA2  GLY  10           2HA      GLY  10  11.989  -3.811  -3.165
   77    HA3  GLY  10           1HA      GLY  10  13.184  -3.642  -1.889
   78    H    ASP  11           H        ASP  11  11.230  -1.885  -0.348
   79    HA   ASP  11           HA       ASP  11   9.946  -4.114   0.970
   80    HB2  ASP  11           2HB      ASP  11  11.035  -2.433   2.391
   81    HB3  ASP  11           1HB      ASP  11  10.029  -1.167   1.703
   82    H    CYS  12           H        CYS  12   8.241  -4.815  -0.018
   83    HA   CYS  12           HA       CYS  12   6.363  -2.891  -1.110
   84    HB2  CYS  12           2HB      CYS  12   6.274  -5.863  -1.295
   85    HB3  CYS  12           1HB      CYS  12   5.270  -4.730  -2.177
   86    H    ARG  13           H        ARG  13   4.794  -2.333  -0.300
   87    HA   ARG  13           HA       ARG  13   3.748  -3.558   2.178
   88    HB2  ARG  13           2HB      ARG  13   3.810  -0.622   1.484
   89    HB3  ARG  13           1HB      ARG  13   3.424  -1.348   3.036
   90    HG2  ARG  13           2HG      ARG  13   5.749  -2.094   3.241
   91    HG3  ARG  13           1HG      ARG  13   6.121  -1.317   1.705
   92    HD2  ARG  13           2HD      ARG  13   6.788   0.110   3.507
   93    HD3  ARG  13           1HD      ARG  13   5.409   0.833   2.681
   94    HE   ARG  13           HE       ARG  13   4.057   0.345   4.486
   95   HH11  ARG  13          1HH1      ARG  13   7.356  -0.832   5.026
   96   HH12  ARG  13          2HH1      ARG  13   7.248  -0.842   6.720
   97   HH21  ARG  13          1HH2      ARG  13   3.854   0.289   6.815
   98   HH22  ARG  13          2HH2      ARG  13   5.176  -0.194   7.775
   99    H    CYS  14           H        CYS  14   1.386  -2.883   2.434
  100    HA   CYS  14           HA       CYS  14   0.323  -2.144  -0.119
  101    HB2  CYS  14           2HB      CYS  14  -0.832  -4.290   1.635
  102    HB3  CYS  14           1HB      CYS  14  -1.564  -3.666   0.171
  103    H    ILE  15           H        ILE  15  -1.299  -0.851  -0.145
  104    HA   ILE  15           HA       ILE  15  -1.874   0.566   2.342
  105    HB   ILE  15           HB       ILE  15  -2.325   1.423  -0.537
  106   HG12  ILE  15          2HG1      ILE  15  -0.141   2.304   1.366
  107   HG13  ILE  15          1HG1      ILE  15   0.094   1.170   0.045
  108   HG21  ILE  15          1HG2      ILE  15  -3.833   2.512   1.048
  109   HG22  ILE  15          2HG2      ILE  15  -2.661   3.668   0.419
  110   HG23  ILE  15          3HG2      ILE  15  -2.462   3.003   2.040
  111   HD11  ILE  15          3HD1      ILE  15  -0.742   4.051  -0.224
  112   HD12  ILE  15          1HD1      ILE  15  -0.500   2.922  -1.556
  113   HD13  ILE  15          2HD1      ILE  15   0.864   3.398  -0.547
  114    H    CYS  16           H        CYS  16  -3.753  -0.081   3.211
  115    HA   CYS  16           HA       CYS  16  -5.883  -0.726   1.347
  116    HB2  CYS  16           2HB      CYS  16  -5.547  -1.694   4.169
  117    HB3  CYS  16           1HB      CYS  16  -6.874  -2.098   3.111
  118    H    THR  17           H        THR  17  -7.604   0.386   1.518
  119    HA   THR  17           HA       THR  17  -8.401   1.847   3.872
  120    HB   THR  17           HB       THR  17  -7.944   3.370   1.284
  121    HG1  THR  17           1HG      THR  17  -6.255   2.810   3.365
  122   HG21  THR  17          3HG2      THR  17  -8.689   4.325   4.058
  123   HG22  THR  17          1HG2      THR  17  -9.760   4.241   2.661
  124   HG23  THR  17          2HG2      THR  17  -8.406   5.366   2.661
  125    H    ARG  18           H        ARG  18 -10.644   2.186   3.804
  126    HA   ARG  18           HA       ARG  18 -12.769   1.828   3.304
  127    HB2  ARG  18           2HB      ARG  18 -12.100   3.531   1.540
  128    HB3  ARG  18           1HB      ARG  18 -11.944   2.191   0.423
  129    HG2  ARG  18           2HG      ARG  18 -14.263   1.633   0.797
  130    HG3  ARG  18           1HG      ARG  18 -14.430   3.025   1.867
  131    HD2  ARG  18           2HD      ARG  18 -13.643   3.149  -1.042
  132    HD3  ARG  18           1HD      ARG  18 -15.223   3.563  -0.380
  133    HE   ARG  18           HE       ARG  18 -12.913   4.976   0.651
  134   HH11  ARG  18          1HH1      ARG  18 -15.743   5.039  -1.473
  135   HH12  ARG  18          2HH1      ARG  18 -15.751   6.734  -1.626
  136   HH21  ARG  18          1HH2      ARG  18 -12.934   7.269   0.447
  137   HH22  ARG  18          2HH2      ARG  18 -14.108   8.038  -0.537
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -10.042   1.206   2.351
    2    HA2  GLY   1           2HA      GLY   1 -11.150  -0.534   3.454
    3    HA3  GLY   1           1HA      GLY   1 -12.411  -0.488   2.228
    4    H    PHE   2           H        PHE   2  -9.767  -0.383   0.364
    5    HA   PHE   2           HA       PHE   2  -9.692  -3.328   0.223
    6    HB2  PHE   2           2HB      PHE   2 -11.030  -2.184  -1.579
    7    HB3  PHE   2           1HB      PHE   2  -9.547  -1.400  -2.107
    8    HD1  PHE   2           2HD      PHE   2 -11.224  -4.659  -1.686
    9    HD2  PHE   2           1HD      PHE   2  -8.034  -2.539  -3.534
   10    HE1  PHE   2           2HE      PHE   2 -10.766  -6.605  -3.111
   11    HE2  PHE   2           1HE      PHE   2  -7.581  -4.488  -4.969
   12    HZ   PHE   2           HZ       PHE   2  -8.944  -6.517  -4.754
   13    H    CYS   3           H        CYS   3  -7.679  -4.265  -0.207
   14    HA   CYS   3           HA       CYS   3  -5.445  -2.449   0.176
   15    HB2  CYS   3           2HB      CYS   3  -5.674  -5.381   0.586
   16    HB3  CYS   3           1HB      CYS   3  -4.109  -4.624   0.422
   17    H    ARG   4           H        ARG   4  -4.096  -1.951  -0.977
   18    HA   ARG   4           HA       ARG   4  -3.650  -3.191  -3.593
   19    HB2  ARG   4           2HB      ARG   4  -4.949  -1.073  -3.801
   20    HB3  ARG   4           1HB      ARG   4  -3.723  -0.248  -2.862
   21    HG2  ARG   4           2HG      ARG   4  -2.132  -0.444  -4.625
   22    HG3  ARG   4           1HG      ARG   4  -3.197  -1.520  -5.538
   23    HD2  ARG   4           2HD      ARG   4  -3.805   1.349  -4.831
   24    HD3  ARG   4           1HD      ARG   4  -3.255   0.786  -6.408
   25    HE   ARG   4           HE       ARG   4  -5.448  -0.730  -5.807
   26   HH11  ARG   4          1HH1      ARG   4  -4.882   2.764  -6.251
   27   HH12  ARG   4          2HH1      ARG   4  -6.451   3.065  -6.826
   28   HH21  ARG   4          1HH2      ARG   4  -7.615  -0.260  -6.620
   29   HH22  ARG   4          2HH2      ARG   4  -8.019   1.330  -7.047
   30    H    CYS   5           H        CYS   5  -1.285  -2.839  -4.214
   31    HA   CYS   5           HA       CYS   5   0.094  -2.547  -1.711
   32    HB2  CYS   5           2HB      CYS   5   1.019  -4.253  -3.983
   33    HB3  CYS   5           1HB      CYS   5   1.608  -4.237  -2.333
   34    H    LEU   6           H        LEU   6   1.816  -1.431  -1.562
   35    HA   LEU   6           HA       LEU   6   2.690   0.068  -3.945
   36    HB2  LEU   6           2HB      LEU   6   2.221   1.165  -1.162
   37    HB3  LEU   6           1HB      LEU   6   3.222   1.995  -2.325
   38    HG   LEU   6           HG       LEU   6   1.189   2.137  -3.834
   39   HD11  LEU   6          1HD1      LEU   6  -1.019   1.915  -2.844
   40   HD12  LEU   6          2HD1      LEU   6  -0.297   1.277  -1.368
   41   HD13  LEU   6          3HD1      LEU   6  -0.162   0.371  -2.878
   42   HD21  LEU   6          3HD2      LEU   6   1.010   3.486  -1.149
   43   HD22  LEU   6          1HD2      LEU   6   0.197   4.007  -2.626
   44   HD23  LEU   6          2HD2      LEU   6   1.960   4.029  -2.532
   45    H    CYS   7           H        CYS   7   4.899   0.660  -4.014
   46    HA   CYS   7           HA       CYS   7   6.521  -0.993  -2.229
   47    HB2  CYS   7           2HB      CYS   7   7.180  -0.171  -5.050
   48    HB3  CYS   7           1HB      CYS   7   8.107  -1.255  -4.021
   49    H    ARG   8           H        ARG   8   7.920  -0.200  -1.021
   50    HA   ARG   8           HA       ARG   8   8.854   2.539  -1.506
   51    HB2  ARG   8           2HB      ARG   8   8.269   1.220   1.155
   52    HB3  ARG   8           1HB      ARG   8   8.983   2.808   0.933
   53    HG2  ARG   8           2HG      ARG   8   6.206   1.983   0.093
   54    HG3  ARG   8           1HG      ARG   8   6.621   2.982   1.490
   55    HD2  ARG   8           2HD      ARG   8   7.552   4.679   0.027
   56    HD3  ARG   8           1HD      ARG   8   7.241   3.673  -1.381
   57    HE   ARG   8           HE       ARG   8   5.157   4.774   0.348
   58   HH11  ARG   8          1HH1      ARG   8   6.225   3.667  -2.859
   59   HH12  ARG   8          2HH1      ARG   8   5.010   4.485  -3.704
   60   HH21  ARG   8          1HH2      ARG   8   3.407   5.847  -0.860
   61   HH22  ARG   8          2HH2      ARG   8   3.365   5.703  -2.559
   62    H    ARG   9           H        ARG   9  10.746   2.113  -2.364
   63    HA   ARG   9           HA       ARG   9  12.947   1.644  -2.525
   64    HB2  ARG   9           2HB      ARG   9  12.887   2.824  -0.269
   65    HB3  ARG   9           1HB      ARG   9  12.866   1.244   0.482
   66    HG2  ARG   9           2HG      ARG   9  15.092   2.178   0.542
   67    HG3  ARG   9           1HG      ARG   9  15.051   0.759  -0.504
   68    HD2  ARG   9           2HD      ARG   9  14.964   2.178  -2.472
   69    HD3  ARG   9           1HD      ARG   9  14.902   3.619  -1.455
   70    HE   ARG   9           HE       ARG   9  17.154   2.334  -0.669
   71   HH11  ARG   9          1HH1      ARG   9  16.028   3.381  -3.855
   72   HH12  ARG   9          2HH1      ARG   9  17.588   3.748  -4.425
   73   HH21  ARG   9          1HH2      ARG   9  19.260   2.784  -1.474
   74   HH22  ARG   9          2HH2      ARG   9  19.449   3.418  -3.059
   75    H    GLY  10           H        GLY  10  11.231  -0.364  -3.069
   76    HA2  GLY  10           2HA      GLY  10  11.706  -2.529  -3.857
   77    HA3  GLY  10           1HA      GLY  10  12.927  -2.690  -2.602
   78    H    ASP  11           H        ASP  11  10.746  -1.498  -0.764
   79    HA   ASP  11           HA       ASP  11   9.791  -4.107   0.058
   80    HB2  ASP  11           2HB      ASP  11  10.775  -2.557   1.710
   81    HB3  ASP  11           1HB      ASP  11   9.494  -1.399   1.371
   82    H    CYS  12           H        CYS  12   8.186  -4.639  -1.343
   83    HA   CYS  12           HA       CYS  12   5.970  -2.785  -1.689
   84    HB2  CYS  12           2HB      CYS  12   6.207  -5.594  -2.622
   85    HB3  CYS  12           1HB      CYS  12   5.033  -4.418  -3.155
   86    H    ARG  13           H        ARG  13   4.478  -2.690  -0.536
   87    HA   ARG  13           HA       ARG  13   3.839  -4.881   1.272
   88    HB2  ARG  13           2HB      ARG  13   5.421  -3.264   2.330
   89    HB3  ARG  13           1HB      ARG  13   4.208  -2.018   2.126
   90    HG2  ARG  13           2HG      ARG  13   2.827  -2.925   3.753
   91    HG3  ARG  13           1HG      ARG  13   3.595  -4.516   3.648
   92    HD2  ARG  13           2HD      ARG  13   4.841  -1.994   4.712
   93    HD3  ARG  13           1HD      ARG  13   4.327  -3.391   5.671
   94    HE   ARG  13           HE       ARG  13   6.613  -3.234   3.842
   95   HH11  ARG  13          1HH1      ARG  13   4.804  -5.126   6.251
   96   HH12  ARG  13          2HH1      ARG  13   6.015  -6.316   6.378
   97   HH21  ARG  13          1HH2      ARG  13   8.217  -4.881   4.026
   98   HH22  ARG  13          2HH2      ARG  13   7.996  -6.170   5.126
   99    H    CYS  14           H        CYS  14   1.675  -4.931   1.834
  100    HA   CYS  14           HA       CYS  14   0.177  -3.272   0.049
  101    HB2  CYS  14           2HB      CYS  14  -0.771  -5.732   1.474
  102    HB3  CYS  14           1HB      CYS  14  -1.617  -4.883   0.186
  103    H    ILE  15           H        ILE  15  -1.375  -1.993   0.594
  104    HA   ILE  15           HA       ILE  15  -2.014  -1.695   3.438
  105    HB   ILE  15           HB       ILE  15  -0.284  -0.065   2.850
  106   HG12  ILE  15          2HG1      ILE  15  -1.441   2.052   3.496
  107   HG13  ILE  15          1HG1      ILE  15  -2.987   1.251   3.240
  108   HG21  ILE  15          1HG2      ILE  15  -0.677   1.745   1.237
  109   HG22  ILE  15          2HG2      ILE  15  -2.169   0.947   0.745
  110   HG23  ILE  15          3HG2      ILE  15  -0.618   0.146   0.491
  111   HD11  ILE  15          3HD1      ILE  15  -0.907   0.454   5.261
  112   HD12  ILE  15          1HD1      ILE  15  -2.476  -0.308   5.037
  113   HD13  ILE  15          2HD1      ILE  15  -2.388   1.359   5.602
  114    H    CYS  16           H        CYS  16  -4.158  -1.026   3.837
  115    HA   CYS  16           HA       CYS  16  -5.842  -1.022   1.463
  116    HB2  CYS  16           2HB      CYS  16  -6.511  -1.392   4.351
  117    HB3  CYS  16           1HB      CYS  16  -7.721  -1.061   3.153
  118    H    THR  17           H        THR  17  -6.924   0.421   0.849
  119    HA   THR  17           HA       THR  17  -7.275   2.880   2.320
  120    HB   THR  17           HB       THR  17  -6.345   2.793  -0.559
  121    HG1  THR  17           1HG      THR  17  -4.972   2.750   1.825
  122   HG21  THR  17          3HG2      THR  17  -5.971   5.214  -0.277
  123   HG22  THR  17          1HG2      THR  17  -6.534   5.110   1.390
  124   HG23  THR  17          2HG2      THR  17  -7.650   4.794   0.064
  125    H    ARG  18           H        ARG  18  -9.271   3.702   1.821
  126    HA   ARG  18           HA       ARG  18 -11.430   3.722   1.223
  127    HB2  ARG  18           2HB      ARG  18 -10.399   4.130  -1.035
  128    HB3  ARG  18           1HB      ARG  18 -10.501   2.407  -1.350
  129    HG2  ARG  18           2HG      ARG  18 -12.924   2.573  -0.969
  130    HG3  ARG  18           1HG      ARG  18 -12.757   4.321  -0.915
  131    HD2  ARG  18           2HD      ARG  18 -11.803   4.314  -3.167
  132    HD3  ARG  18           1HD      ARG  18 -11.996   2.558  -3.240
  133    HE   ARG  18           HE       ARG  18 -14.409   3.971  -2.645
  134   HH11  ARG  18          1HH1      ARG  18 -12.353   2.831  -5.295
  135   HH12  ARG  18          2HH1      ARG  18 -13.610   2.826  -6.436
  136   HH21  ARG  18          1HH2      ARG  18 -16.110   3.996  -4.208
  137   HH22  ARG  18          2HH2      ARG  18 -15.825   3.528  -5.808
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -11.258   0.049   2.800
    2    HA2  GLY   1           2HA      GLY   1 -11.905  -2.160   2.949
    3    HA3  GLY   1           1HA      GLY   1 -13.189  -1.821   1.795
    4    H    PHE   2           H        PHE   2 -10.174  -0.792   0.676
    5    HA   PHE   2           HA       PHE   2  -9.835  -3.246  -0.885
    6    HB2  PHE   2           2HB      PHE   2 -10.900  -1.458  -2.228
    7    HB3  PHE   2           1HB      PHE   2  -9.584  -0.369  -1.827
    8    HD1  PHE   2           1HD      PHE   2 -10.499  -3.404  -3.699
    9    HD2  PHE   2           2HD      PHE   2  -7.542  -0.416  -3.068
   10    HE1  PHE   2           1HE      PHE   2  -9.313  -4.158  -5.715
   11    HE2  PHE   2           2HE      PHE   2  -6.350  -1.167  -5.086
   12    HZ   PHE   2           HZ       PHE   2  -7.232  -3.041  -6.408
   13    H    CYS   3           H        CYS   3  -7.639  -3.803  -1.293
   14    HA   CYS   3           HA       CYS   3  -5.721  -2.098   0.111
   15    HB2  CYS   3           2HB      CYS   3  -5.496  -5.035  -0.429
   16    HB3  CYS   3           1HB      CYS   3  -4.277  -4.064   0.360
   17    H    ARG   4           H        ARG   4  -4.397  -1.138  -0.984
   18    HA   ARG   4           HA       ARG   4  -3.785  -1.986  -3.736
   19    HB2  ARG   4           2HB      ARG   4  -3.368   0.384  -4.290
   20    HB3  ARG   4           1HB      ARG   4  -5.005   0.171  -3.691
   21    HG2  ARG   4           2HG      ARG   4  -4.243   1.024  -1.480
   22    HG3  ARG   4           1HG      ARG   4  -2.658   1.330  -2.189
   23    HD2  ARG   4           2HD      ARG   4  -3.732   2.798  -3.857
   24    HD3  ARG   4           1HD      ARG   4  -5.277   2.555  -3.040
   25    HE   ARG   4           HE       ARG   4  -2.958   3.715  -1.668
   26   HH11  ARG   4          1HH1      ARG   4  -6.358   3.965  -2.647
   27   HH12  ARG   4          2HH1      ARG   4  -6.644   5.423  -1.836
   28   HH21  ARG   4          1HH2      ARG   4  -3.353   5.737  -0.529
   29   HH22  ARG   4          2HH2      ARG   4  -4.907   6.435  -0.553
   30    H    CYS   5           H        CYS   5  -1.578  -2.220  -4.224
   31    HA   CYS   5           HA       CYS   5   0.023  -1.881  -1.849
   32    HB2  CYS   5           2HB      CYS   5   0.364  -3.945  -4.006
   33    HB3  CYS   5           1HB      CYS   5   1.342  -3.790  -2.553
   34    H    LEU   6           H        LEU   6   2.123  -1.297  -1.998
   35    HA   LEU   6           HA       LEU   6   3.004  -0.100  -4.537
   36    HB2  LEU   6           2HB      LEU   6   3.150   1.164  -1.795
   37    HB3  LEU   6           1HB      LEU   6   3.918   1.793  -3.233
   38    HG   LEU   6           HG       LEU   6   0.933   1.541  -2.857
   39   HD11  LEU   6          1HD1      LEU   6   1.906   3.164  -1.330
   40   HD12  LEU   6          2HD1      LEU   6   0.991   3.969  -2.605
   41   HD13  LEU   6          3HD1      LEU   6   2.751   3.931  -2.673
   42   HD21  LEU   6          3HD2      LEU   6   2.593   2.908  -4.974
   43   HD22  LEU   6          1HD2      LEU   6   0.838   2.989  -4.827
   44   HD23  LEU   6          2HD2      LEU   6   1.620   1.452  -5.195
   45    H    CYS   7           H        CYS   7   5.359   0.125  -4.586
   46    HA   CYS   7           HA       CYS   7   6.707  -1.350  -2.472
   47    HB2  CYS   7           2HB      CYS   7   7.344  -1.584  -5.421
   48    HB3  CYS   7           1HB      CYS   7   8.224  -2.378  -4.120
   49    H    ARG   8           H        ARG   8   8.430  -0.444  -1.670
   50    HA   ARG   8           HA       ARG   8   9.816   1.676  -3.086
   51    HB2  ARG   8           2HB      ARG   8   9.751   3.093  -1.007
   52    HB3  ARG   8           1HB      ARG   8   8.198   2.973  -1.822
   53    HG2  ARG   8           2HG      ARG   8   7.304   1.584  -0.158
   54    HG3  ARG   8           1HG      ARG   8   8.898   1.167   0.471
   55    HD2  ARG   8           2HD      ARG   8   7.672   2.717   1.944
   56    HD3  ARG   8           1HD      ARG   8   9.185   3.381   1.343
   57    HE   ARG   8           HE       ARG   8   6.745   4.078  -0.091
   58   HH11  ARG   8          1HH1      ARG   8   9.247   5.044   2.216
   59   HH12  ARG   8          2HH1      ARG   8   8.904   6.708   2.112
   60   HH21  ARG   8          1HH2      ARG   8   6.275   6.345  -0.223
   61   HH22  ARG   8          2HH2      ARG   8   7.184   7.473   0.675
   62    H    ARG   9           H        ARG   9  11.995   1.700  -2.451
   63    HA   ARG   9           HA       ARG   9  13.948   1.029  -1.458
   64    HB2  ARG   9           2HB      ARG   9  12.779   1.749   0.659
   65    HB3  ARG   9           1HB      ARG   9  12.179   0.114   0.850
   66    HG2  ARG   9           2HG      ARG   9  14.586  -0.623   0.982
   67    HG3  ARG   9           1HG      ARG   9  15.019   1.083   1.064
   68    HD2  ARG   9           2HD      ARG   9  14.919   0.238   3.306
   69    HD3  ARG   9           1HD      ARG   9  13.529   1.287   3.054
   70    HE   ARG   9           HE       ARG   9  12.570  -1.182   2.476
   71   HH11  ARG   9          1HH1      ARG   9  14.236   0.170   5.290
   72   HH12  ARG   9          2HH1      ARG   9  13.514  -0.866   6.420
   73   HH21  ARG   9          1HH2      ARG   9  11.505  -2.680   4.132
   74   HH22  ARG   9          2HH2      ARG   9  11.975  -2.481   5.745
   75    H    GLY  10           H        GLY  10  11.969  -0.907  -2.851
   76    HA2  GLY  10           2HA      GLY  10  12.162  -3.110  -3.631
   77    HA3  GLY  10           1HA      GLY  10  13.559  -3.320  -2.571
   78    H    ASP  11           H        ASP  11  10.940  -1.953  -1.056
   79    HA   ASP  11           HA       ASP  11  10.240  -4.432   0.344
   80    HB2  ASP  11           2HB      ASP  11  11.441  -2.712   1.688
   81    HB3  ASP  11           1HB      ASP  11  10.212  -1.540   1.258
   82    H    CYS  12           H        CYS  12   8.302  -5.066  -0.519
   83    HA   CYS  12           HA       CYS  12   6.507  -3.021  -1.422
   84    HB2  CYS  12           2HB      CYS  12   6.207  -6.007  -1.519
   85    HB3  CYS  12           1HB      CYS  12   5.065  -4.862  -2.199
   86    H    ARG  13           H        ARG  13   4.592  -2.557  -0.694
   87    HA   ARG  13           HA       ARG  13   3.934  -3.491   1.989
   88    HB2  ARG  13           2HB      ARG  13   5.563  -1.587   2.023
   89    HB3  ARG  13           1HB      ARG  13   4.356  -0.615   1.219
   90    HG2  ARG  13           2HG      ARG  13   2.922  -0.684   3.119
   91    HG3  ARG  13           1HG      ARG  13   3.955  -1.887   3.911
   92    HD2  ARG  13           2HD      ARG  13   4.701   0.954   3.221
   93    HD3  ARG  13           1HD      ARG  13   4.454   0.289   4.837
   94    HE   ARG  13           HE       ARG  13   6.369  -1.275   3.588
   95   HH11  ARG  13          1HH1      ARG  13   6.157   2.059   4.764
   96   HH12  ARG  13          2HH1      ARG  13   7.825   2.231   5.006
   97   HH21  ARG  13          1HH2      ARG  13   8.586  -1.065   3.814
   98   HH22  ARG  13          2HH2      ARG  13   9.295   0.384   4.405
   99    H    CYS  14           H        CYS  14   1.716  -3.373   2.311
  100    HA   CYS  14           HA       CYS  14   0.308  -2.260   0.061
  101    HB2  CYS  14           2HB      CYS  14  -0.609  -4.483   1.868
  102    HB3  CYS  14           1HB      CYS  14  -1.573  -3.780   0.585
  103    H    ILE  15           H        ILE  15  -1.367  -0.996   0.323
  104    HA   ILE  15           HA       ILE  15  -1.801   0.175   2.988
  105    HB   ILE  15           HB       ILE  15  -2.197   1.384   0.221
  106   HG12  ILE  15          2HG1      ILE  15   0.190   1.163   0.729
  107   HG13  ILE  15          1HG1      ILE  15  -0.288   2.854   0.718
  108   HG21  ILE  15          1HG2      ILE  15  -2.594   3.514   1.348
  109   HG22  ILE  15          2HG2      ILE  15  -2.470   2.707   2.909
  110   HG23  ILE  15          3HG2      ILE  15  -3.787   2.293   1.806
  111   HD11  ILE  15          3HD1      ILE  15   1.263   2.388   2.522
  112   HD12  ILE  15          1HD1      ILE  15   0.180   1.149   3.162
  113   HD13  ILE  15          2HD1      ILE  15  -0.313   2.845   3.169
  114    H    CYS  16           H        CYS  16  -3.836  -0.172   3.767
  115    HA   CYS  16           HA       CYS  16  -5.862  -0.965   1.807
  116    HB2  CYS  16           2HB      CYS  16  -5.752  -1.786   4.685
  117    HB3  CYS  16           1HB      CYS  16  -6.958  -2.278   3.524
  118    H    THR  17           H        THR  17  -7.551   0.117   1.702
  119    HA   THR  17           HA       THR  17  -8.685   1.711   3.735
  120    HB   THR  17           HB       THR  17  -6.835   3.199   3.262
  121    HG1  THR  17           1HG      THR  17  -8.227   4.685   3.509
  122   HG21  THR  17          3HG2      THR  17  -6.190   2.437   1.042
  123   HG22  THR  17          1HG2      THR  17  -6.462   4.180   1.009
  124   HG23  THR  17          2HG2      THR  17  -7.684   3.085   0.362
  125    H    ARG  18           H        ARG  18 -10.665   2.552   3.037
  126    HA   ARG  18           HA       ARG  18 -12.644   2.593   1.943
  127    HB2  ARG  18           2HB      ARG  18 -11.058   3.619   0.179
  128    HB3  ARG  18           1HB      ARG  18 -11.111   2.053  -0.598
  129    HG2  ARG  18           2HG      ARG  18 -13.549   2.272  -0.723
  130    HG3  ARG  18           1HG      ARG  18 -13.409   3.930  -0.147
  131    HD2  ARG  18           2HD      ARG  18 -12.254   2.784  -2.695
  132    HD3  ARG  18           1HD      ARG  18 -13.472   4.049  -2.546
  133    HE   ARG  18           HE       ARG  18 -11.370   5.089  -1.229
  134   HH11  ARG  18          1HH1      ARG  18 -11.773   3.797  -4.506
  135   HH12  ARG  18          2HH1      ARG  18 -10.478   4.650  -5.181
  136   HH21  ARG  18          1HH2      ARG  18  -9.494   6.292  -2.181
  137   HH22  ARG  18          2HH2      ARG  18  -9.155   6.093  -3.823
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -10.450   0.241   2.910
    2    HA2  GLY   1           2HA      GLY   1 -11.341  -1.938   2.941
    3    HA3  GLY   1           1HA      GLY   1 -12.710  -1.365   1.999
    4    H    PHE   2           H        PHE   2 -10.435   0.027   0.312
    5    HA   PHE   2           HA       PHE   2 -10.183  -2.270  -1.478
    6    HB2  PHE   2           2HB      PHE   2 -11.128  -0.136  -2.367
    7    HB3  PHE   2           1HB      PHE   2  -9.606   0.655  -1.971
    8    HD1  PHE   2           1HD      PHE   2 -11.225  -1.820  -4.151
    9    HD2  PHE   2           2HD      PHE   2  -7.706   0.460  -3.417
   10    HE1  PHE   2           1HE      PHE   2 -10.376  -2.413  -6.381
   11    HE2  PHE   2           2HE      PHE   2  -6.856  -0.131  -5.648
   12    HZ   PHE   2           HZ       PHE   2  -8.195  -1.567  -7.130
   13    H    CYS   3           H        CYS   3  -8.206  -3.095  -1.975
   14    HA   CYS   3           HA       CYS   3  -5.989  -1.937  -0.463
   15    HB2  CYS   3           2HB      CYS   3  -6.380  -4.832  -1.199
   16    HB3  CYS   3           1HB      CYS   3  -5.102  -4.148  -0.192
   17    H    ARG   4           H        ARG   4  -4.028  -1.749  -1.325
   18    HA   ARG   4           HA       ARG   4  -3.522  -2.581  -4.055
   19    HB2  ARG   4           2HB      ARG   4  -4.581  -0.325  -4.215
   20    HB3  ARG   4           1HB      ARG   4  -3.360   0.302  -3.123
   21    HG2  ARG   4           2HG      ARG   4  -1.625  -0.189  -4.774
   22    HG3  ARG   4           1HG      ARG   4  -2.852  -0.844  -5.859
   23    HD2  ARG   4           2HD      ARG   4  -2.274   1.457  -6.472
   24    HD3  ARG   4           1HD      ARG   4  -3.943   1.328  -5.949
   25    HE   ARG   4           HE       ARG   4  -3.286   2.266  -3.827
   26   HH11  ARG   4          1HH1      ARG   4  -1.011   2.745  -6.515
   27   HH12  ARG   4          2HH1      ARG   4  -0.322   4.152  -5.851
   28   HH21  ARG   4          1HH2      ARG   4  -2.267   4.192  -2.908
   29   HH22  ARG   4          2HH2      ARG   4  -1.040   4.975  -3.792
   30    H    CYS   5           H        CYS   5  -1.210  -2.731  -4.372
   31    HA   CYS   5           HA       CYS   5   0.150  -2.583  -1.837
   32    HB2  CYS   5           2HB      CYS   5   0.917  -4.208  -4.239
   33    HB3  CYS   5           1HB      CYS   5   1.699  -4.235  -2.668
   34    H    LEU   6           H        LEU   6   2.205  -1.786  -1.642
   35    HA   LEU   6           HA       LEU   6   3.114  -0.081  -3.847
   36    HB2  LEU   6           2HB      LEU   6   3.061   0.602  -0.905
   37    HB3  LEU   6           1HB      LEU   6   3.785   1.581  -2.158
   38    HG   LEU   6           HG       LEU   6   0.834   0.983  -1.914
   39   HD11  LEU   6          1HD1      LEU   6   2.394   3.484  -1.277
   40   HD12  LEU   6          2HD1      LEU   6   1.652   2.400  -0.104
   41   HD13  LEU   6          3HD1      LEU   6   0.638   3.313  -1.222
   42   HD21  LEU   6          3HD2      LEU   6   0.584   2.728  -3.612
   43   HD22  LEU   6          1HD2      LEU   6   1.533   1.375  -4.224
   44   HD23  LEU   6          2HD2      LEU   6   2.339   2.864  -3.735
   45    H    CYS   7           H        CYS   7   5.178  -0.460  -4.323
   46    HA   CYS   7           HA       CYS   7   6.846  -1.631  -2.269
   47    HB2  CYS   7           2HB      CYS   7   7.117  -1.749  -5.286
   48    HB3  CYS   7           1HB      CYS   7   8.372  -2.289  -4.171
   49    H    ARG   8           H        ARG   8   8.196  -0.369  -1.367
   50    HA   ARG   8           HA       ARG   8   8.795   2.225  -2.617
   51    HB2  ARG   8           2HB      ARG   8   8.634   1.442   0.289
   52    HB3  ARG   8           1HB      ARG   8   8.954   3.051  -0.333
   53    HG2  ARG   8           2HG      ARG   8   6.744   3.240  -1.204
   54    HG3  ARG   8           1HG      ARG   8   6.418   1.538  -0.870
   55    HD2  ARG   8           2HD      ARG   8   6.997   3.650   1.197
   56    HD3  ARG   8           1HD      ARG   8   5.398   3.015   0.803
   57    HE   ARG   8           HE       ARG   8   7.186   0.918   1.493
   58   HH11  ARG   8          1HH1      ARG   8   5.249   3.493   2.961
   59   HH12  ARG   8          2HH1      ARG   8   5.060   2.697   4.446
   60   HH21  ARG   8          1HH2      ARG   8   6.959  -0.169   3.504
   61   HH22  ARG   8          2HH2      ARG   8   6.071   0.543   4.776
   62    H    ARG   9           H        ARG   9  10.721   1.644  -3.567
   63    HA   ARG   9           HA       ARG   9  12.913   1.236  -3.804
   64    HB2  ARG   9           2HB      ARG   9  12.900   3.216  -2.213
   65    HB3  ARG   9           1HB      ARG   9  13.128   2.070  -0.906
   66    HG2  ARG   9           2HG      ARG   9  15.282   1.406  -1.856
   67    HG3  ARG   9           1HG      ARG   9  15.050   2.546  -3.182
   68    HD2  ARG   9           2HD      ARG   9  15.272   3.225  -0.239
   69    HD3  ARG   9           1HD      ARG   9  16.486   3.506  -1.478
   70    HE   ARG   9           HE       ARG   9  14.926   5.067  -2.526
   71   HH11  ARG   9          1HH1      ARG   9  14.321   4.275   0.877
   72   HH12  ARG   9          2HH1      ARG   9  13.623   5.790   1.245
   73   HH21  ARG   9          1HH2      ARG   9  13.908   7.095  -2.022
   74   HH22  ARG   9          2HH2      ARG   9  13.350   7.425  -0.442
   75    H    GLY  10           H        GLY  10  11.429  -0.968  -3.312
   76    HA2  GLY  10           2HA      GLY  10  12.246  -3.200  -3.234
   77    HA3  GLY  10           1HA      GLY  10  13.391  -2.707  -2.002
   78    H    ASP  11           H        ASP  11  11.225  -1.209  -0.573
   79    HA   ASP  11           HA       ASP  11  10.364  -3.476   1.015
   80    HB2  ASP  11           2HB      ASP  11  11.243  -1.537   2.198
   81    HB3  ASP  11           1HB      ASP  11  10.029  -0.503   1.459
   82    H    CYS  12           H        CYS  12   8.688  -4.531   0.241
   83    HA   CYS  12           HA       CYS  12   6.475  -2.979  -0.849
   84    HB2  CYS  12           2HB      CYS  12   6.899  -5.939  -0.914
   85    HB3  CYS  12           1HB      CYS  12   5.627  -5.063  -1.730
   86    H    ARG  13           H        ARG  13   4.670  -2.852  -0.065
   87    HA   ARG  13           HA       ARG  13   3.769  -4.494   2.158
   88    HB2  ARG  13           2HB      ARG  13   4.969  -2.713   3.302
   89    HB3  ARG  13           1HB      ARG  13   4.159  -1.497   2.331
   90    HG2  ARG  13           2HG      ARG  13   2.040  -2.036   3.408
   91    HG3  ARG  13           1HG      ARG  13   2.830  -3.295   4.354
   92    HD2  ARG  13           2HD      ARG  13   4.204  -1.685   5.473
   93    HD3  ARG  13           1HD      ARG  13   3.625  -0.388   4.428
   94    HE   ARG  13           HE       ARG  13   1.381  -1.368   5.577
   95   HH11  ARG  13          1HH1      ARG  13   4.417  -0.173   6.926
   96   HH12  ARG  13          2HH1      ARG  13   3.721   0.564   8.270
   97   HH21  ARG  13          1HH2      ARG  13   0.376  -0.387   7.464
   98   HH22  ARG  13          2HH2      ARG  13   1.355   0.428   8.586
   99    H    CYS  14           H        CYS  14   1.563  -4.750   2.035
  100    HA   CYS  14           HA       CYS  14   0.334  -3.155  -0.011
  101    HB2  CYS  14           2HB      CYS  14  -0.762  -5.641   1.282
  102    HB3  CYS  14           1HB      CYS  14  -1.506  -4.775  -0.042
  103    H    ILE  15           H        ILE  15  -1.385  -1.914   0.289
  104    HA   ILE  15           HA       ILE  15  -2.016  -1.387   3.097
  105    HB   ILE  15           HB       ILE  15  -0.440   0.301   2.280
  106   HG12  ILE  15          2HG1      ILE  15  -1.794   2.381   2.698
  107   HG13  ILE  15          1HG1      ILE  15  -3.239   1.378   2.658
  108   HG21  ILE  15          1HG2      ILE  15  -2.459   0.935   0.141
  109   HG22  ILE  15          2HG2      ILE  15  -0.859   0.226  -0.082
  110   HG23  ILE  15          3HG2      ILE  15  -1.014   1.883   0.496
  111   HD11  ILE  15          3HD1      ILE  15  -2.532   1.869   4.925
  112   HD12  ILE  15          1HD1      ILE  15  -0.967   1.123   4.613
  113   HD13  ILE  15          2HD1      ILE  15  -2.437   0.142   4.592
  114    H    CYS  16           H        CYS  16  -4.114  -1.069   3.558
  115    HA   CYS  16           HA       CYS  16  -5.945  -1.015   1.295
  116    HB2  CYS  16           2HB      CYS  16  -6.487  -1.979   4.097
  117    HB3  CYS  16           1HB      CYS  16  -7.609  -2.018   2.755
  118    H    THR  17           H        THR  17  -7.428   0.450   1.182
  119    HA   THR  17           HA       THR  17  -7.828   2.297   3.333
  120    HB   THR  17           HB       THR  17  -6.127   3.466   2.304
  121    HG1  THR  17           1HG      THR  17  -7.476   5.050   2.545
  122   HG21  THR  17          3HG2      THR  17  -7.367   2.898  -0.395
  123   HG22  THR  17          1HG2      THR  17  -5.860   2.228   0.229
  124   HG23  THR  17          2HG2      THR  17  -5.969   3.950  -0.141
  125    H    ARG  18           H        ARG  18  -9.769   2.707   3.564
  126    HA   ARG  18           HA       ARG  18 -11.991   2.717   3.431
  127    HB2  ARG  18           2HB      ARG  18 -11.378   4.462   1.680
  128    HB3  ARG  18           1HB      ARG  18 -11.630   3.219   0.469
  129    HG2  ARG  18           2HG      ARG  18 -13.906   2.964   1.250
  130    HG3  ARG  18           1HG      ARG  18 -13.680   4.287   2.383
  131    HD2  ARG  18           2HD      ARG  18 -13.445   4.479  -0.625
  132    HD3  ARG  18           1HD      ARG  18 -14.767   5.111   0.348
  133    HE   ARG  18           HE       ARG  18 -12.664   6.349   1.416
  134   HH11  ARG  18          1HH1      ARG  18 -13.726   5.999  -1.953
  135   HH12  ARG  18          2HH1      ARG  18 -13.012   7.432  -2.487
  136   HH21  ARG  18          1HH2      ARG  18 -11.668   8.420   0.640
  137   HH22  ARG  18          2HH2      ARG  18 -11.867   8.818  -1.008
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -11.009  -0.447   2.873
    2    HA2  GLY   1           2HA      GLY   1 -11.664  -2.689   2.573
    3    HA3  GLY   1           1HA      GLY   1 -13.009  -2.130   1.590
    4    H    PHE   2           H        PHE   2 -10.478  -0.466   0.439
    5    HA   PHE   2           HA       PHE   2 -10.031  -2.383  -1.734
    6    HB2  PHE   2           2HB      PHE   2 -11.003  -0.128  -2.271
    7    HB3  PHE   2           1HB      PHE   2  -9.554   0.615  -1.623
    8    HD1  PHE   2           2HD      PHE   2 -11.002  -1.273  -4.391
    9    HD2  PHE   2           1HD      PHE   2  -7.478   0.588  -2.898
   10    HE1  PHE   2           2HE      PHE   2  -9.992  -1.389  -6.632
   11    HE2  PHE   2           1HE      PHE   2  -6.470   0.474  -5.135
   12    HZ   PHE   2           HZ       PHE   2  -7.727  -0.518  -7.003
   13    H    CYS   3           H        CYS   3  -7.887  -2.909  -2.274
   14    HA   CYS   3           HA       CYS   3  -5.869  -1.858  -0.425
   15    HB2  CYS   3           2HB      CYS   3  -5.982  -4.644  -1.545
   16    HB3  CYS   3           1HB      CYS   3  -4.704  -4.000  -0.539
   17    H    ARG   4           H        ARG   4  -4.230  -1.004  -1.259
   18    HA   ARG   4           HA       ARG   4  -3.439  -1.614  -3.988
   19    HB2  ARG   4           2HB      ARG   4  -2.879   0.881  -4.252
   20    HB3  ARG   4           1HB      ARG   4  -4.572   0.431  -4.336
   21    HG2  ARG   4           2HG      ARG   4  -4.741   1.104  -1.904
   22    HG3  ARG   4           1HG      ARG   4  -3.123   1.791  -2.078
   23    HD2  ARG   4           2HD      ARG   4  -3.882   3.271  -3.817
   24    HD3  ARG   4           1HD      ARG   4  -5.470   2.505  -3.834
   25    HE   ARG   4           HE       ARG   4  -4.459   3.948  -1.476
   26   HH11  ARG   4          1HH1      ARG   4  -7.076   3.418  -3.886
   27   HH12  ARG   4          2HH1      ARG   4  -8.103   4.532  -3.128
   28   HH21  ARG   4          1HH2      ARG   4  -5.978   5.449  -0.516
   29   HH22  ARG   4          2HH2      ARG   4  -7.508   5.674  -1.235
   30    H    CYS   5           H        CYS   5  -1.226  -1.702  -4.305
   31    HA   CYS   5           HA       CYS   5   0.153  -1.667  -1.743
   32    HB2  CYS   5           2HB      CYS   5   0.645  -3.500  -4.061
   33    HB3  CYS   5           1HB      CYS   5   1.461  -3.533  -2.504
   34    H    LEU   6           H        LEU   6   2.280  -1.173  -1.612
   35    HA   LEU   6           HA       LEU   6   3.433   0.231  -3.924
   36    HB2  LEU   6           2HB      LEU   6   3.505   1.124  -1.030
   37    HB3  LEU   6           1HB      LEU   6   4.520   1.794  -2.279
   38    HG   LEU   6           HG       LEU   6   2.822   3.351  -1.875
   39   HD11  LEU   6          1HD1      LEU   6   2.084   1.906  -4.385
   40   HD12  LEU   6          2HD1      LEU   6   3.335   3.136  -4.183
   41   HD13  LEU   6          3HD1      LEU   6   1.639   3.561  -3.977
   42   HD21  LEU   6          3HD2      LEU   6   1.203   1.971  -0.693
   43   HD22  LEU   6          1HD2      LEU   6   0.766   1.163  -2.199
   44   HD23  LEU   6          2HD2      LEU   6   0.407   2.876  -1.981
   45    H    CYS   7           H        CYS   7   5.403  -0.494  -4.437
   46    HA   CYS   7           HA       CYS   7   6.989  -1.733  -2.329
   47    HB2  CYS   7           2HB      CYS   7   6.944  -2.332  -5.299
   48    HB3  CYS   7           1HB      CYS   7   8.238  -2.866  -4.228
   49    H    ARG   8           H        ARG   8   8.529  -0.465  -1.704
   50    HA   ARG   8           HA       ARG   8   9.507   1.630  -3.561
   51    HB2  ARG   8           2HB      ARG   8   9.322   1.728  -0.556
   52    HB3  ARG   8           1HB      ARG   8   9.775   3.040  -1.631
   53    HG2  ARG   8           2HG      ARG   8   7.553   3.176  -2.508
   54    HG3  ARG   8           1HG      ARG   8   7.074   1.719  -1.632
   55    HD2  ARG   8           2HD      ARG   8   7.978   4.303  -0.395
   56    HD3  ARG   8           1HD      ARG   8   6.304   3.760  -0.504
   57    HE   ARG   8           HE       ARG   8   7.581   1.725   0.798
   58   HH11  ARG   8          1HH1      ARG   8   7.366   5.211   1.416
   59   HH12  ARG   8          2HH1      ARG   8   7.456   5.033   3.105
   60   HH21  ARG   8          1HH2      ARG   8   7.701   1.509   3.071
   61   HH22  ARG   8          2HH2      ARG   8   7.609   2.907   4.082
   62    H    ARG   9           H        ARG   9  11.388   0.545  -4.262
   63    HA   ARG   9           HA       ARG   9  13.557  -0.074  -4.257
   64    HB2  ARG   9           2HB      ARG   9  13.773   2.199  -3.204
   65    HB3  ARG   9           1HB      ARG   9  13.680   1.448  -1.628
   66    HG2  ARG   9           2HG      ARG   9  15.971   2.036  -2.139
   67    HG3  ARG   9           1HG      ARG   9  15.806   0.285  -2.086
   68    HD2  ARG   9           2HD      ARG   9  15.786   0.173  -4.505
   69    HD3  ARG   9           1HD      ARG   9  15.813   1.935  -4.620
   70    HE   ARG   9           HE       ARG   9  17.992   1.217  -3.107
   71   HH11  ARG   9          1HH1      ARG   9  16.957   0.629  -6.450
   72   HH12  ARG   9          2HH1      ARG   9  18.543   0.548  -7.070
   73   HH21  ARG   9          1HH2      ARG   9  20.142   1.082  -3.965
   74   HH22  ARG   9          2HH2      ARG   9  20.404   0.810  -5.622
   75    H    GLY  10           H        GLY  10  11.643  -1.840  -3.153
   76    HA2  GLY  10           2HA      GLY  10  12.264  -4.129  -2.555
   77    HA3  GLY  10           1HA      GLY  10  13.376  -3.440  -1.384
   78    H    ASP  11           H        ASP  11  11.322  -1.413  -0.630
   79    HA   ASP  11           HA       ASP  11  10.119  -3.015   1.435
   80    HB2  ASP  11           2HB      ASP  11  10.985  -0.805   2.026
   81    HB3  ASP  11           1HB      ASP  11   9.882  -0.044   0.887
   82    H    CYS  12           H        CYS  12   8.606  -4.299   0.501
   83    HA   CYS  12           HA       CYS  12   6.404  -2.968  -0.876
   84    HB2  CYS  12           2HB      CYS  12   6.856  -5.892  -0.410
   85    HB3  CYS  12           1HB      CYS  12   5.500  -5.201  -1.263
   86    H    ARG  13           H        ARG  13   4.679  -2.604  -0.094
   87    HA   ARG  13           HA       ARG  13   3.647  -3.930   2.254
   88    HB2  ARG  13           2HB      ARG  13   5.130  -2.204   3.225
   89    HB3  ARG  13           1HB      ARG  13   4.262  -0.965   2.335
   90    HG2  ARG  13           2HG      ARG  13   2.255  -1.407   3.597
   91    HG3  ARG  13           1HG      ARG  13   3.049  -2.740   4.438
   92    HD2  ARG  13           2HD      ARG  13   2.977  -0.718   5.809
   93    HD3  ARG  13           1HD      ARG  13   4.631  -1.192   5.432
   94    HE   ARG  13           HE       ARG  13   4.390   0.536   3.576
   95   HH11  ARG  13          1HH1      ARG  13   2.904   0.837   6.772
   96   HH12  ARG  13          2HH1      ARG  13   2.911   2.533   6.789
   97   HH21  ARG  13          1HH2      ARG  13   4.411   2.944   3.606
   98   HH22  ARG  13          2HH2      ARG  13   3.766   3.734   4.942
   99    H    CYS  14           H        CYS  14   1.473  -3.945   2.207
  100    HA   CYS  14           HA       CYS  14   0.292  -2.419   0.068
  101    HB2  CYS  14           2HB      CYS  14  -0.774  -4.820   1.518
  102    HB3  CYS  14           1HB      CYS  14  -1.657  -3.939   0.291
  103    H    ILE  15           H        ILE  15  -1.440  -1.154   0.353
  104    HA   ILE  15           HA       ILE  15  -2.079  -0.432   3.124
  105    HB   ILE  15           HB       ILE  15  -2.100   1.284   0.625
  106   HG12  ILE  15          2HG1      ILE  15   0.189   0.858   1.387
  107   HG13  ILE  15          1HG1      ILE  15  -0.245   2.540   1.646
  108   HG21  ILE  15          1HG2      ILE  15  -3.870   1.960   2.124
  109   HG22  ILE  15          2HG2      ILE  15  -2.592   3.173   2.104
  110   HG23  ILE  15          3HG2      ILE  15  -2.726   2.064   3.465
  111   HD11  ILE  15          3HD1      ILE  15  -0.620   2.051   4.031
  112   HD12  ILE  15          1HD1      ILE  15   1.026   1.674   3.521
  113   HD13  ILE  15          2HD1      ILE  15  -0.144   0.376   3.745
  114    H    CYS  16           H        CYS  16  -4.090  -1.023   3.631
  115    HA   CYS  16           HA       CYS  16  -6.050  -1.115   1.474
  116    HB2  CYS  16           2HB      CYS  16  -6.152  -2.539   4.122
  117    HB3  CYS  16           1HB      CYS  16  -7.344  -2.636   2.845
  118    H    THR  17           H        THR  17  -7.708   0.066   1.592
  119    HA   THR  17           HA       THR  17  -8.539   1.424   3.956
  120    HB   THR  17           HB       THR  17  -6.815   2.926   3.414
  121    HG1  THR  17           1HG      THR  17  -8.714   3.975   3.883
  122   HG21  THR  17          3HG2      THR  17  -6.510   3.980   1.191
  123   HG22  THR  17          1HG2      THR  17  -7.785   2.939   0.552
  124   HG23  THR  17          2HG2      THR  17  -6.280   2.231   1.145
  125    H    ARG  18           H        ARG  18 -10.584   1.984   3.821
  126    HA   ARG  18           HA       ARG  18 -12.768   2.057   3.141
  127    HB2  ARG  18           2HB      ARG  18 -11.764   3.716   1.523
  128    HB3  ARG  18           1HB      ARG  18 -11.649   2.411   0.355
  129    HG2  ARG  18           2HG      ARG  18 -14.157   2.152   0.756
  130    HG3  ARG  18           1HG      ARG  18 -14.063   3.787   1.418
  131    HD2  ARG  18           2HD      ARG  18 -14.588   3.987  -0.909
  132    HD3  ARG  18           1HD      ARG  18 -12.910   4.491  -0.672
  133    HE   ARG  18           HE       ARG  18 -13.267   1.716  -1.347
  134   HH11  ARG  18          1HH1      ARG  18 -12.491   4.951  -2.605
  135   HH12  ARG  18          2HH1      ARG  18 -11.992   4.379  -4.117
  136   HH21  ARG  18          1HH2      ARG  18 -12.583   0.960  -3.423
  137   HH22  ARG  18          2HH2      ARG  18 -12.048   2.089  -4.602
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -10.366  -1.431   3.324
    2    HA2  GLY   1           2HA      GLY   1 -10.728  -3.632   2.545
    3    HA3  GLY   1           1HA      GLY   1 -12.239  -3.108   1.821
    4    H    PHE   2           H        PHE   2 -10.525  -0.758   0.708
    5    HA   PHE   2           HA       PHE   2  -9.830  -2.149  -1.732
    6    HB2  PHE   2           2HB      PHE   2 -11.131  -0.123  -1.951
    7    HB3  PHE   2           1HB      PHE   2  -9.943   0.774  -1.001
    8    HD1  PHE   2           2HD      PHE   2 -10.314  -1.146  -4.153
    9    HD2  PHE   2           1HD      PHE   2  -8.292   1.974  -2.101
   10    HE1  PHE   2           2HE      PHE   2  -9.168  -0.519  -6.245
   11    HE2  PHE   2           1HE      PHE   2  -7.146   2.612  -4.182
   12    HZ   PHE   2           HZ       PHE   2  -7.584   1.363  -6.259
   13    H    CYS   3           H        CYS   3  -7.824  -2.563  -2.262
   14    HA   CYS   3           HA       CYS   3  -5.705  -1.360  -0.623
   15    HB2  CYS   3           2HB      CYS   3  -5.887  -4.228  -1.499
   16    HB3  CYS   3           1HB      CYS   3  -4.459  -3.503  -0.776
   17    H    ARG   4           H        ARG   4  -3.972  -0.693  -1.592
   18    HA   ARG   4           HA       ARG   4  -3.352  -1.572  -4.301
   19    HB2  ARG   4           2HB      ARG   4  -3.436   1.262  -3.273
   20    HB3  ARG   4           1HB      ARG   4  -2.333   0.815  -4.561
   21    HG2  ARG   4           2HG      ARG   4  -5.340   0.585  -4.628
   22    HG3  ARG   4           1HG      ARG   4  -4.350   1.780  -5.476
   23    HD2  ARG   4           2HD      ARG   4  -4.420  -1.209  -5.939
   24    HD3  ARG   4           1HD      ARG   4  -4.928   0.062  -7.043
   25    HE   ARG   4           HE       ARG   4  -2.507   0.788  -6.938
   26   HH11  ARG   4          1HH1      ARG   4  -3.501  -2.637  -6.801
   27   HH12  ARG   4          2HH1      ARG   4  -2.019  -3.202  -7.416
   28   HH21  ARG   4          1HH2      ARG   4  -0.456  -0.063  -7.717
   29   HH22  ARG   4          2HH2      ARG   4  -0.264  -1.739  -7.902
   30    H    CYS   5           H        CYS   5  -1.253  -2.215  -4.511
   31    HA   CYS   5           HA       CYS   5   0.214  -1.847  -2.066
   32    HB2  CYS   5           2HB      CYS   5   0.570  -4.044  -4.088
   33    HB3  CYS   5           1HB      CYS   5   1.410  -3.888  -2.559
   34    H    LEU   6           H        LEU   6   2.287  -1.356  -2.065
   35    HA   LEU   6           HA       LEU   6   3.450  -0.421  -4.589
   36    HB2  LEU   6           2HB      LEU   6   2.437   1.516  -3.520
   37    HB3  LEU   6           1HB      LEU   6   3.251   1.155  -2.015
   38    HG   LEU   6           HG       LEU   6   5.428   1.617  -3.134
   39   HD11  LEU   6          1HD1      LEU   6   3.707   2.534  -5.426
   40   HD12  LEU   6          2HD1      LEU   6   4.818   1.165  -5.432
   41   HD13  LEU   6          3HD1      LEU   6   5.441   2.808  -5.269
   42   HD21  LEU   6          3HD2      LEU   6   5.153   4.056  -3.187
   43   HD22  LEU   6          1HD2      LEU   6   4.332   3.331  -1.805
   44   HD23  LEU   6          2HD2      LEU   6   3.406   3.853  -3.216
   45    H    CYS   7           H        CYS   7   5.463  -1.130  -4.810
   46    HA   CYS   7           HA       CYS   7   6.923  -1.939  -2.418
   47    HB2  CYS   7           2HB      CYS   7   7.420  -2.639  -5.327
   48    HB3  CYS   7           1HB      CYS   7   8.441  -3.130  -3.975
   49    H    ARG   8           H        ARG   8   8.155  -0.568  -1.618
   50    HA   ARG   8           HA       ARG   8   9.367   1.470  -3.347
   51    HB2  ARG   8           2HB      ARG   8   7.649   2.378  -1.873
   52    HB3  ARG   8           1HB      ARG   8   8.413   1.615  -0.492
   53    HG2  ARG   8           2HG      ARG   8   8.828   3.992  -0.508
   54    HG3  ARG   8           1HG      ARG   8  10.333   3.100  -0.720
   55    HD2  ARG   8           2HD      ARG   8  10.286   3.559  -3.096
   56    HD3  ARG   8           1HD      ARG   8   8.726   4.373  -2.932
   57    HE   ARG   8           HE       ARG   8  10.060   5.865  -1.320
   58   HH11  ARG   8          1HH1      ARG   8  11.297   4.521  -4.327
   59   HH12  ARG   8          2HH1      ARG   8  12.358   5.787  -4.685
   60   HH21  ARG   8          1HH2      ARG   8  11.529   7.632  -1.740
   61   HH22  ARG   8          2HH2      ARG   8  12.532   7.615  -3.109
   62    H    ARG   9           H        ARG   9  11.364   0.640  -3.677
   63    HA   ARG   9           HA       ARG   9  13.572   0.300  -3.292
   64    HB2  ARG   9           2HB      ARG   9  13.296   2.308  -1.851
   65    HB3  ARG   9           1HB      ARG   9  12.919   1.271  -0.497
   66    HG2  ARG   9           2HG      ARG   9  15.216   0.350  -0.630
   67    HG3  ARG   9           1HG      ARG   9  15.566   1.511  -1.920
   68    HD2  ARG   9           2HD      ARG   9  15.010   3.343  -0.453
   69    HD3  ARG   9           1HD      ARG   9  14.581   2.214   0.824
   70    HE   ARG   9           HE       ARG   9  17.292   2.194  -0.232
   71   HH11  ARG   9          1HH1      ARG   9  15.069   2.774   2.453
   72   HH12  ARG   9          2HH1      ARG   9  16.264   3.166   3.583
   73   HH21  ARG   9          1HH2      ARG   9  18.976   2.721   1.323
   74   HH22  ARG   9          2HH2      ARG   9  18.565   3.134   2.918
   75    H    GLY  10           H        GLY  10  11.481  -1.750  -2.664
   76    HA2  GLY  10           2HA      GLY  10  12.092  -4.076  -2.408
   77    HA3  GLY  10           1HA      GLY  10  13.225  -3.591  -1.152
   78    H    ASP  11           H        ASP  11  10.965  -1.657  -0.313
   79    HA   ASP  11           HA       ASP  11   9.763  -3.515   1.544
   80    HB2  ASP  11           2HB      ASP  11  10.627  -1.422   2.446
   81    HB3  ASP  11           1HB      ASP  11   9.623  -0.498   1.340
   82    H    CYS  12           H        CYS  12   8.222  -4.631   0.467
   83    HA   CYS  12           HA       CYS  12   6.224  -3.136  -1.010
   84    HB2  CYS  12           2HB      CYS  12   6.366  -6.071  -0.436
   85    HB3  CYS  12           1HB      CYS  12   5.211  -5.292  -1.487
   86    H    ARG  13           H        ARG  13   4.445  -2.615  -0.370
   87    HA   ARG  13           HA       ARG  13   3.414  -3.484   2.223
   88    HB2  ARG  13           2HB      ARG  13   5.037  -1.544   2.482
   89    HB3  ARG  13           1HB      ARG  13   3.893  -0.594   1.561
   90    HG2  ARG  13           2HG      ARG  13   2.189  -0.964   3.264
   91    HG3  ARG  13           1HG      ARG  13   3.341  -1.912   4.209
   92    HD2  ARG  13           2HD      ARG  13   3.526   1.011   3.497
   93    HD3  ARG  13           1HD      ARG  13   3.302   0.297   5.096
   94    HE   ARG  13           HE       ARG  13   5.697  -0.587   3.804
   95   HH11  ARG  13          1HH1      ARG  13   4.370   2.050   5.732
   96   HH12  ARG  13          2HH1      ARG  13   5.918   2.529   6.313
   97   HH21  ARG  13          1HH2      ARG  13   7.678   0.037   4.580
   98   HH22  ARG  13          2HH2      ARG  13   7.848   1.345   5.681
   99    H    CYS  14           H        CYS  14   1.172  -3.085   2.318
  100    HA   CYS  14           HA       CYS  14   0.199  -1.985  -0.137
  101    HB2  CYS  14           2HB      CYS  14  -1.217  -3.962   1.622
  102    HB3  CYS  14           1HB      CYS  14  -1.850  -3.291   0.135
  103    H    ILE  15           H        ILE  15  -1.173  -0.480  -0.136
  104    HA   ILE  15           HA       ILE  15  -1.831   0.834   2.393
  105    HB   ILE  15           HB       ILE  15  -2.021   1.868  -0.463
  106   HG12  ILE  15          2HG1      ILE  15   0.324   1.593   0.202
  107   HG13  ILE  15          1HG1      ILE  15  -0.088   3.297   0.092
  108   HG21  ILE  15          1HG2      ILE  15  -2.396   4.077   0.532
  109   HG22  ILE  15          2HG2      ILE  15  -2.394   3.348   2.138
  110   HG23  ILE  15          3HG2      ILE  15  -3.660   2.933   0.984
  111   HD11  ILE  15          3HD1      ILE  15   0.153   1.702   2.639
  112   HD12  ILE  15          1HD1      ILE  15  -0.254   3.417   2.527
  113   HD13  ILE  15          2HD1      ILE  15   1.334   2.848   2.008
  114    H    CYS  16           H        CYS  16  -3.722   0.202   3.131
  115    HA   CYS  16           HA       CYS  16  -5.828  -0.367   1.187
  116    HB2  CYS  16           2HB      CYS  16  -5.413  -1.595   3.900
  117    HB3  CYS  16           1HB      CYS  16  -6.775  -1.913   2.839
  118    H    THR  17           H        THR  17  -7.772   0.398   1.543
  119    HA   THR  17           HA       THR  17  -8.395   1.764   3.959
  120    HB   THR  17           HB       THR  17  -7.381   3.522   2.814
  121    HG1  THR  17           1HG      THR  17  -8.846   4.801   3.358
  122   HG21  THR  17          3HG2      THR  17  -7.378   2.752   0.516
  123   HG22  THR  17          1HG2      THR  17  -8.109   4.355   0.565
  124   HG23  THR  17          2HG2      THR  17  -9.128   2.922   0.417
  125    H    ARG  18           H        ARG  18 -10.285   1.379   4.463
  126    HA   ARG  18           HA       ARG  18 -12.190   0.221   4.630
  127    HB2  ARG  18           2HB      ARG  18 -12.571   2.551   3.646
  128    HB3  ARG  18           1HB      ARG  18 -12.944   1.707   2.154
  129    HG2  ARG  18           2HG      ARG  18 -14.860   2.313   3.372
  130    HG3  ARG  18           1HG      ARG  18 -14.745   0.530   3.256
  131    HD2  ARG  18           2HD      ARG  18 -15.487   1.305   5.494
  132    HD3  ARG  18           1HD      ARG  18 -13.939   0.475   5.590
  133    HE   ARG  18           HE       ARG  18 -13.491   3.218   5.239
  134   HH11  ARG  18          1HH1      ARG  18 -14.752   1.064   7.749
  135   HH12  ARG  18          2HH1      ARG  18 -14.257   2.061   9.037
  136   HH21  ARG  18          1HH2      ARG  18 -12.795   4.552   6.989
  137   HH22  ARG  18          2HH2      ARG  18 -13.094   4.103   8.602
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -11.024  -0.741   3.152
    2    HA2  GLY   1           2HA      GLY   1 -11.585  -2.929   2.690
    3    HA3  GLY   1           1HA      GLY   1 -12.949  -2.350   1.748
    4    H    PHE   2           H        PHE   2 -10.204  -0.731   0.796
    5    HA   PHE   2           HA       PHE   2  -9.785  -2.620  -1.399
    6    HB2  PHE   2           2HB      PHE   2 -10.918  -0.723  -2.306
    7    HB3  PHE   2           1HB      PHE   2  -9.875   0.394  -1.429
    8    HD1  PHE   2           1HD      PHE   2  -9.572  -2.354  -3.950
    9    HD2  PHE   2           2HD      PHE   2  -8.249   1.468  -2.649
   10    HE1  PHE   2           1HE      PHE   2  -8.100  -2.198  -5.917
   11    HE2  PHE   2           2HE      PHE   2  -6.776   1.632  -4.606
   12    HZ   PHE   2           HZ       PHE   2  -6.696  -0.204  -6.243
   13    H    CYS   3           H        CYS   3  -7.827  -3.234  -1.762
   14    HA   CYS   3           HA       CYS   3  -5.654  -1.912  -0.309
   15    HB2  CYS   3           2HB      CYS   3  -5.806  -4.741  -1.334
   16    HB3  CYS   3           1HB      CYS   3  -4.378  -4.025  -0.620
   17    H    ARG   4           H        ARG   4  -4.072  -1.091  -1.389
   18    HA   ARG   4           HA       ARG   4  -3.581  -1.872  -4.157
   19    HB2  ARG   4           2HB      ARG   4  -4.721   0.275  -4.330
   20    HB3  ARG   4           1HB      ARG   4  -3.699   0.964  -3.072
   21    HG2  ARG   4           2HG      ARG   4  -1.773   0.840  -4.491
   22    HG3  ARG   4           1HG      ARG   4  -2.693  -0.024  -5.714
   23    HD2  ARG   4           2HD      ARG   4  -4.007   1.911  -6.190
   24    HD3  ARG   4           1HD      ARG   4  -3.305   2.785  -4.820
   25    HE   ARG   4           HE       ARG   4  -1.297   2.939  -5.908
   26   HH11  ARG   4          1HH1      ARG   4  -3.799   1.580  -8.057
   27   HH12  ARG   4          2HH1      ARG   4  -2.860   1.727  -9.460
   28   HH21  ARG   4          1HH2      ARG   4  -0.029   3.123  -7.882
   29   HH22  ARG   4          2HH2      ARG   4  -0.687   2.609  -9.369
   30    H    CYS   5           H        CYS   5  -1.442  -2.428  -4.411
   31    HA   CYS   5           HA       CYS   5   0.111  -1.911  -2.052
   32    HB2  CYS   5           2HB      CYS   5   0.554  -4.008  -4.158
   33    HB3  CYS   5           1HB      CYS   5   1.502  -3.816  -2.691
   34    H    LEU   6           H        LEU   6   2.260  -1.362  -2.108
   35    HA   LEU   6           HA       LEU   6   3.275  -0.324  -4.626
   36    HB2  LEU   6           2HB      LEU   6   4.042   1.765  -3.465
   37    HB3  LEU   6           1HB      LEU   6   2.314   1.639  -3.679
   38    HG   LEU   6           HG       LEU   6   2.234   0.882  -1.225
   39   HD11  LEU   6          1HD1      LEU   6   4.991   2.092  -1.185
   40   HD12  LEU   6          2HD1      LEU   6   4.585   0.398  -0.898
   41   HD13  LEU   6          3HD1      LEU   6   4.030   1.641   0.225
   42   HD21  LEU   6          3HD2      LEU   6   2.270   3.198  -0.419
   43   HD22  LEU   6          1HD2      LEU   6   1.442   3.043  -1.970
   44   HD23  LEU   6          2HD2      LEU   6   3.081   3.687  -1.906
   45    H    CYS   7           H        CYS   7   5.553  -0.192  -4.731
   46    HA   CYS   7           HA       CYS   7   6.910  -1.498  -2.501
   47    HB2  CYS   7           2HB      CYS   7   7.447  -1.960  -5.443
   48    HB3  CYS   7           1HB      CYS   7   8.448  -2.578  -4.133
   49    H    ARG   8           H        ARG   8   8.454  -0.513  -1.618
   50    HA   ARG   8           HA       ARG   8   9.685   1.774  -2.985
   51    HB2  ARG   8           2HB      ARG   8   8.136   2.573  -1.363
   52    HB3  ARG   8           1HB      ARG   8   8.708   1.423  -0.168
   53    HG2  ARG   8           2HG      ARG   8  10.900   2.626  -0.192
   54    HG3  ARG   8           1HG      ARG   8  10.130   3.861  -1.199
   55    HD2  ARG   8           2HD      ARG   8  10.104   4.407   1.215
   56    HD3  ARG   8           1HD      ARG   8   8.494   4.295   0.496
   57    HE   ARG   8           HE       ARG   8   9.456   1.854   1.675
   58   HH11  ARG   8          1HH1      ARG   8   7.823   4.885   2.361
   59   HH12  ARG   8          2HH1      ARG   8   6.860   4.260   3.613
   60   HH21  ARG   8          1HH2      ARG   8   8.092   0.941   3.381
   61   HH22  ARG   8          2HH2      ARG   8   7.013   1.992   4.189
   62    H    ARG   9           H        ARG   9  11.671   0.960  -3.447
   63    HA   ARG   9           HA       ARG   9  13.747   0.103  -3.246
   64    HB2  ARG   9           2HB      ARG   9  13.954   2.078  -1.750
   65    HB3  ARG   9           1HB      ARG   9  13.477   1.084  -0.385
   66    HG2  ARG   9           2HG      ARG   9  15.507  -0.270  -0.688
   67    HG3  ARG   9           1HG      ARG   9  15.993   0.777  -2.023
   68    HD2  ARG   9           2HD      ARG   9  16.193   2.649  -0.554
   69    HD3  ARG   9           1HD      ARG   9  15.474   1.742   0.781
   70    HE   ARG   9           HE       ARG   9  17.750   0.430  -0.225
   71   HH11  ARG   9          1HH1      ARG   9  16.902   3.240   1.735
   72   HH12  ARG   9          2HH1      ARG   9  18.286   3.156   2.727
   73   HH21  ARG   9          1HH2      ARG   9  19.660   0.325   1.108
   74   HH22  ARG   9          2HH2      ARG   9  19.907   1.446   2.352
   75    H    GLY  10           H        GLY  10  11.879  -1.834  -3.112
   76    HA2  GLY  10           2HA      GLY  10  12.037  -4.146  -2.854
   77    HA3  GLY  10           1HA      GLY  10  13.335  -3.897  -1.693
   78    H    ASP  11           H        ASP  11  11.099  -1.860  -0.631
   79    HA   ASP  11           HA       ASP  11   9.929  -3.863   1.148
   80    HB2  ASP  11           2HB      ASP  11  11.134  -2.142   2.329
   81    HB3  ASP  11           1HB      ASP  11  10.306  -0.887   1.421
   82    H    CYS  12           H        CYS  12   8.142  -4.565   0.292
   83    HA   CYS  12           HA       CYS  12   6.366  -2.664  -0.990
   84    HB2  CYS  12           2HB      CYS  12   6.108  -5.657  -0.826
   85    HB3  CYS  12           1HB      CYS  12   5.111  -4.584  -1.779
   86    H    ARG  13           H        ARG  13   4.606  -2.085  -0.257
   87    HA   ARG  13           HA       ARG  13   3.561  -3.176   2.243
   88    HB2  ARG  13           2HB      ARG  13   4.923  -1.224   2.858
   89    HB3  ARG  13           1HB      ARG  13   4.082  -0.243   1.668
   90    HG2  ARG  13           2HG      ARG  13   1.997  -0.500   2.925
   91    HG3  ARG  13           1HG      ARG  13   2.838  -1.484   4.122
   92    HD2  ARG  13           2HD      ARG  13   4.281   0.396   4.663
   93    HD3  ARG  13           1HD      ARG  13   3.483   1.380   3.433
   94    HE   ARG  13           HE       ARG  13   1.400   0.890   4.859
   95   HH11  ARG  13          1HH1      ARG  13   4.647   1.354   6.170
   96   HH12  ARG  13          2HH1      ARG  13   4.122   2.054   7.629
   97   HH21  ARG  13          1HH2      ARG  13   0.668   1.845   6.822
   98   HH22  ARG  13          2HH2      ARG  13   1.769   2.359   8.015
   99    H    CYS  14           H        CYS  14   1.322  -3.047   2.325
  100    HA   CYS  14           HA       CYS  14   0.245  -2.013  -0.121
  101    HB2  CYS  14           2HB      CYS  14  -0.943  -4.161   1.612
  102    HB3  CYS  14           1HB      CYS  14  -1.668  -3.532   0.149
  103    H    ILE  15           H        ILE  15  -1.359  -0.674  -0.095
  104    HA   ILE  15           HA       ILE  15  -1.998   0.546   2.492
  105    HB   ILE  15           HB       ILE  15  -2.479   1.604  -0.315
  106   HG12  ILE  15          2HG1      ILE  15  -0.077   1.486   0.139
  107   HG13  ILE  15          1HG1      ILE  15  -0.612   3.159   0.092
  108   HG21  ILE  15          1HG2      ILE  15  -2.739   2.994   2.352
  109   HG22  ILE  15          2HG2      ILE  15  -4.057   2.534   1.274
  110   HG23  ILE  15          3HG2      ILE  15  -2.903   3.770   0.776
  111   HD11  ILE  15          3HD1      ILE  15   0.997   2.812   1.869
  112   HD12  ILE  15          1HD1      ILE  15  -0.014   1.548   2.572
  113   HD13  ILE  15          2HD1      ILE  15  -0.579   3.218   2.548
  114    H    CYS  16           H        CYS  16  -3.667  -0.613   3.279
  115    HA   CYS  16           HA       CYS  16  -5.950  -1.011   1.504
  116    HB2  CYS  16           2HB      CYS  16  -5.424  -2.262   4.158
  117    HB3  CYS  16           1HB      CYS  16  -6.733  -2.658   3.079
  118    H    THR  17           H        THR  17  -7.540   0.127   1.786
  119    HA   THR  17           HA       THR  17  -8.450   1.183   4.280
  120    HB   THR  17           HB       THR  17  -7.608   3.136   2.110
  121    HG1  THR  17           1HG      THR  17  -6.104   2.046   3.890
  122   HG21  THR  17          3HG2      THR  17  -8.745   3.621   4.867
  123   HG22  THR  17          1HG2      THR  17  -9.577   3.894   3.341
  124   HG23  THR  17          2HG2      THR  17  -8.187   4.889   3.771
  125    H    ARG  18           H        ARG  18 -10.589   1.662   4.111
  126    HA   ARG  18           HA       ARG  18 -12.710   1.694   3.384
  127    HB2  ARG  18           2HB      ARG  18 -11.662   3.525   1.938
  128    HB3  ARG  18           1HB      ARG  18 -11.650   2.346   0.635
  129    HG2  ARG  18           2HG      ARG  18 -14.096   2.094   0.987
  130    HG3  ARG  18           1HG      ARG  18 -14.019   3.475   2.078
  131    HD2  ARG  18           2HD      ARG  18 -13.344   3.437  -0.860
  132    HD3  ARG  18           1HD      ARG  18 -14.657   4.311  -0.068
  133    HE   ARG  18           HE       ARG  18 -11.935   4.944   0.737
  134   HH11  ARG  18          1HH1      ARG  18 -14.803   5.944  -1.074
  135   HH12  ARG  18          2HH1      ARG  18 -14.249   7.533  -1.300
  136   HH21  ARG  18          1HH2      ARG  18 -11.197   7.064   0.430
  137   HH22  ARG  18          2HH2      ARG  18 -12.134   8.206  -0.419
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -11.134  -0.670   3.048
    2    HA2  GLY   1           2HA      GLY   1 -11.307  -2.951   2.696
    3    HA3  GLY   1           1HA      GLY   1 -12.749  -2.663   1.738
    4    H    PHE   2           H        PHE   2 -10.628  -0.635   0.378
    5    HA   PHE   2           HA       PHE   2  -9.853  -2.669  -1.566
    6    HB2  PHE   2           2HB      PHE   2 -11.243  -0.751  -2.342
    7    HB3  PHE   2           1HB      PHE   2  -9.906   0.324  -1.917
    8    HD1  PHE   2           1HD      PHE   2 -10.849  -2.532  -4.068
    9    HD2  PHE   2           2HD      PHE   2  -8.181   0.723  -3.464
   10    HE1  PHE   2           1HE      PHE   2  -9.907  -2.898  -6.306
   11    HE2  PHE   2           2HE      PHE   2  -7.230   0.361  -5.696
   12    HZ   PHE   2           HZ       PHE   2  -8.093  -1.457  -7.124
   13    H    CYS   3           H        CYS   3  -7.859  -3.162  -1.796
   14    HA   CYS   3           HA       CYS   3  -5.864  -1.681  -0.248
   15    HB2  CYS   3           2HB      CYS   3  -5.838  -4.548  -1.123
   16    HB3  CYS   3           1HB      CYS   3  -4.562  -3.754  -0.222
   17    H    ARG   4           H        ARG   4  -4.150  -0.906  -1.064
   18    HA   ARG   4           HA       ARG   4  -3.474  -1.466  -3.850
   19    HB2  ARG   4           2HB      ARG   4  -3.509   1.213  -2.443
   20    HB3  ARG   4           1HB      ARG   4  -2.791   0.931  -4.023
   21    HG2  ARG   4           2HG      ARG   4  -4.955   0.373  -4.941
   22    HG3  ARG   4           1HG      ARG   4  -5.707   0.532  -3.352
   23    HD2  ARG   4           2HD      ARG   4  -6.070   2.518  -4.739
   24    HD3  ARG   4           1HD      ARG   4  -5.114   2.894  -3.308
   25    HE   ARG   4           HE       ARG   4  -3.981   2.464  -5.975
   26   HH11  ARG   4          1HH1      ARG   4  -4.083   4.275  -2.934
   27   HH12  ARG   4          2HH1      ARG   4  -2.786   5.298  -3.314
   28   HH21  ARG   4          1HH2      ARG   4  -2.182   3.874  -6.533
   29   HH22  ARG   4          2HH2      ARG   4  -1.673   5.071  -5.456
   30    H    CYS   5           H        CYS   5  -1.483  -2.236  -3.916
   31    HA   CYS   5           HA       CYS   5   0.074  -1.910  -1.528
   32    HB2  CYS   5           2HB      CYS   5   0.471  -3.868  -3.788
   33    HB3  CYS   5           1HB      CYS   5   1.398  -3.831  -2.295
   34    H    LEU   6           H        LEU   6   2.297  -1.451  -1.584
   35    HA   LEU   6           HA       LEU   6   3.228  -0.130  -4.025
   36    HB2  LEU   6           2HB      LEU   6   2.321   1.614  -2.589
   37    HB3  LEU   6           1HB      LEU   6   3.275   1.034  -1.237
   38    HG   LEU   6           HG       LEU   6   5.333   1.675  -2.483
   39   HD11  LEU   6          1HD1      LEU   6   3.398   2.915  -4.420
   40   HD12  LEU   6          2HD1      LEU   6   4.493   1.568  -4.748
   41   HD13  LEU   6          3HD1      LEU   6   5.140   3.169  -4.398
   42   HD21  LEU   6          3HD2      LEU   6   4.371   3.158  -0.808
   43   HD22  LEU   6          1HD2      LEU   6   3.332   3.878  -2.033
   44   HD23  LEU   6          2HD2      LEU   6   5.077   4.085  -2.135
   45    H    CYS   7           H        CYS   7   5.377  -0.414  -4.409
   46    HA   CYS   7           HA       CYS   7   6.958  -1.666  -2.300
   47    HB2  CYS   7           2HB      CYS   7   7.228  -2.068  -5.294
   48    HB3  CYS   7           1HB      CYS   7   8.267  -2.782  -4.074
   49    H    ARG   8           H        ARG   8   8.513  -0.371  -1.638
   50    HA   ARG   8           HA       ARG   8   9.740   1.418  -3.576
   51    HB2  ARG   8           2HB      ARG   8   8.123   2.788  -2.326
   52    HB3  ARG   8           1HB      ARG   8   8.835   2.260  -0.809
   53    HG2  ARG   8           2HG      ARG   8  10.927   3.379  -1.381
   54    HG3  ARG   8           1HG      ARG   8  10.253   3.854  -2.939
   55    HD2  ARG   8           2HD      ARG   8   9.167   4.691  -0.251
   56    HD3  ARG   8           1HD      ARG   8  10.214   5.678  -1.273
   57    HE   ARG   8           HE       ARG   8   7.915   4.832  -2.699
   58   HH11  ARG   8          1HH1      ARG   8   8.918   7.202  -0.237
   59   HH12  ARG   8          2HH1      ARG   8   7.694   8.306  -0.622
   60   HH21  ARG   8          1HH2      ARG   8   6.238   6.388  -3.213
   61   HH22  ARG   8          2HH2      ARG   8   6.143   7.840  -2.336
   62    H    ARG   9           H        ARG   9  11.830   1.381  -3.512
   63    HA   ARG   9           HA       ARG   9  13.958   0.956  -2.993
   64    HB2  ARG   9           2HB      ARG   9  13.275   2.482  -1.048
   65    HB3  ARG   9           1HB      ARG   9  13.139   1.025  -0.088
   66    HG2  ARG   9           2HG      ARG   9  15.495   0.568  -0.393
   67    HG3  ARG   9           1HG      ARG   9  15.652   1.981  -1.440
   68    HD2  ARG   9           2HD      ARG   9  14.920   3.409   0.429
   69    HD3  ARG   9           1HD      ARG   9  14.866   1.976   1.462
   70    HE   ARG   9           HE       ARG   9  17.377   2.072   0.340
   71   HH11  ARG   9          1HH1      ARG   9  15.463   4.097   2.554
   72   HH12  ARG   9          2HH1      ARG   9  16.819   4.718   3.350
   73   HH21  ARG   9          1HH2      ARG   9  19.225   2.948   1.443
   74   HH22  ARG   9          2HH2      ARG   9  19.010   4.067   2.708
   75    H    GLY  10           H        GLY  10  12.041  -1.194  -3.292
   76    HA2  GLY  10           2HA      GLY  10  12.359  -3.481  -3.545
   77    HA3  GLY  10           1HA      GLY  10  13.752  -3.385  -2.479
   78    H    ASP  11           H        ASP  11  10.971  -1.861  -1.260
   79    HA   ASP  11           HA       ASP  11  10.377  -4.241   0.332
   80    HB2  ASP  11           2HB      ASP  11  11.506  -2.569   1.699
   81    HB3  ASP  11           1HB      ASP  11  10.341  -1.351   1.192
   82    H    CYS  12           H        CYS  12   8.405  -4.943   0.074
   83    HA   CYS  12           HA       CYS  12   6.410  -3.154  -1.085
   84    HB2  CYS  12           2HB      CYS  12   6.452  -6.140  -0.954
   85    HB3  CYS  12           1HB      CYS  12   5.208  -5.167  -1.714
   86    H    ARG  13           H        ARG  13   4.631  -2.773  -0.207
   87    HA   ARG  13           HA       ARG  13   3.742  -4.100   2.204
   88    HB2  ARG  13           2HB      ARG  13   3.629  -1.899   3.428
   89    HB3  ARG  13           1HB      ARG  13   5.252  -2.525   3.175
   90    HG2  ARG  13           2HG      ARG  13   5.270  -1.008   1.085
   91    HG3  ARG  13           1HG      ARG  13   3.904  -0.201   1.855
   92    HD2  ARG  13           2HD      ARG  13   5.240   0.203   3.839
   93    HD3  ARG  13           1HD      ARG  13   6.587  -0.670   3.109
   94    HE   ARG  13           HE       ARG  13   5.505   1.838   2.047
   95   HH11  ARG  13          1HH1      ARG  13   8.320  -0.318   2.648
   96   HH12  ARG  13          2HH1      ARG  13   9.437   0.890   2.278
   97   HH21  ARG  13          1HH2      ARG  13   7.132   3.438   1.518
   98   HH22  ARG  13          2HH2      ARG  13   8.785   3.035   1.620
   99    H    CYS  14           H        CYS  14   1.513  -3.633   2.644
  100    HA   CYS  14           HA       CYS  14   0.324  -2.342   0.352
  101    HB2  CYS  14           2HB      CYS  14  -0.842  -4.595   1.961
  102    HB3  CYS  14           1HB      CYS  14  -1.650  -3.791   0.630
  103    H    ILE  15           H        ILE  15  -1.398  -1.009   0.572
  104    HA   ILE  15           HA       ILE  15  -2.069  -0.184   3.317
  105    HB   ILE  15           HB       ILE  15  -1.819   1.604   0.856
  106   HG12  ILE  15          2HG1      ILE  15  -0.113   2.869   2.291
  107   HG13  ILE  15          1HG1      ILE  15  -0.105   1.487   3.359
  108   HG21  ILE  15          1HG2      ILE  15  -2.324   3.488   2.360
  109   HG22  ILE  15          2HG2      ILE  15  -2.663   2.334   3.653
  110   HG23  ILE  15          3HG2      ILE  15  -3.661   2.349   2.203
  111   HD11  ILE  15          3HD1      ILE  15   1.806   1.424   1.886
  112   HD12  ILE  15          1HD1      ILE  15   0.760   1.525   0.469
  113   HD13  ILE  15          2HD1      ILE  15   0.718   0.090   1.493
  114    H    CYS  16           H        CYS  16  -4.293  -0.021   3.696
  115    HA   CYS  16           HA       CYS  16  -5.980  -0.466   1.342
  116    HB2  CYS  16           2HB      CYS  16  -6.413  -1.652   4.077
  117    HB3  CYS  16           1HB      CYS  16  -7.401  -1.922   2.647
  118    H    THR  17           H        THR  17  -7.899   0.541   1.245
  119    HA   THR  17           HA       THR  17  -8.823   2.111   3.489
  120    HB   THR  17           HB       THR  17  -8.437   3.377   0.793
  121    HG1  THR  17           1HG      THR  17  -6.715   3.030   2.901
  122   HG21  THR  17          3HG2      THR  17  -9.101   4.557   3.499
  123   HG22  THR  17          1HG2      THR  17 -10.213   4.365   2.144
  124   HG23  THR  17          2HG2      THR  17  -8.862   5.487   2.021
  125    H    ARG  18           H        ARG  18 -10.873   1.996   3.553
  126    HA   ARG  18           HA       ARG  18 -13.016   1.364   3.255
  127    HB2  ARG  18           2HB      ARG  18 -12.754   3.344   1.583
  128    HB3  ARG  18           1HB      ARG  18 -12.782   2.100   0.342
  129    HG2  ARG  18           2HG      ARG  18 -14.939   1.308   1.312
  130    HG3  ARG  18           1HG      ARG  18 -14.940   2.747   2.325
  131    HD2  ARG  18           2HD      ARG  18 -16.281   3.254   0.444
  132    HD3  ARG  18           1HD      ARG  18 -14.745   4.095   0.209
  133    HE   ARG  18           HE       ARG  18 -14.899   1.488  -0.984
  134   HH11  ARG  18          1HH1      ARG  18 -15.407   4.964  -1.546
  135   HH12  ARG  18          2HH1      ARG  18 -15.330   4.801  -3.243
  136   HH21  ARG  18          1HH2      ARG  18 -14.904   1.314  -3.292
  137   HH22  ARG  18          2HH2      ARG  18 -15.057   2.723  -4.248
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -10.934   0.000   3.108
    2    HA2  GLY   1           2HA      GLY   1 -11.390  -2.252   3.208
    3    HA3  GLY   1           1HA      GLY   1 -12.823  -1.980   2.232
    4    H    PHE   2           H        PHE   2 -10.254  -0.535   0.699
    5    HA   PHE   2           HA       PHE   2  -9.860  -2.912  -0.977
    6    HB2  PHE   2           2HB      PHE   2 -11.119  -1.077  -2.085
    7    HB3  PHE   2           1HB      PHE   2  -9.776   0.011  -1.759
    8    HD1  PHE   2           2HD      PHE   2 -10.789  -2.998  -3.634
    9    HD2  PHE   2           1HD      PHE   2  -7.914   0.109  -3.202
   10    HE1  PHE   2           2HE      PHE   2  -9.777  -3.643  -5.775
   11    HE2  PHE   2           1HE      PHE   2  -6.898  -0.534  -5.340
   12    HZ   PHE   2           HZ       PHE   2  -7.827  -2.412  -6.629
   13    H    CYS   3           H        CYS   3  -7.750  -3.408  -1.556
   14    HA   CYS   3           HA       CYS   3  -5.698  -1.778  -0.264
   15    HB2  CYS   3           2HB      CYS   3  -5.746  -4.773  -0.573
   16    HB3  CYS   3           1HB      CYS   3  -4.461  -3.827   0.163
   17    H    ARG   4           H        ARG   4  -3.963  -1.304  -1.384
   18    HA   ARG   4           HA       ARG   4  -3.511  -2.577  -3.974
   19    HB2  ARG   4           2HB      ARG   4  -4.505  -0.304  -4.333
   20    HB3  ARG   4           1HB      ARG   4  -3.237   0.382  -3.332
   21    HG2  ARG   4           2HG      ARG   4  -2.737   0.771  -5.659
   22    HG3  ARG   4           1HG      ARG   4  -1.556  -0.348  -4.977
   23    HD2  ARG   4           2HD      ARG   4  -2.206  -1.128  -7.162
   24    HD3  ARG   4           1HD      ARG   4  -2.861  -2.225  -5.952
   25    HE   ARG   4           HE       ARG   4  -4.621  -0.108  -6.816
   26   HH11  ARG   4          1HH1      ARG   4  -3.700  -3.498  -7.213
   27   HH12  ARG   4          2HH1      ARG   4  -5.096  -3.937  -8.071
   28   HH21  ARG   4          1HH2      ARG   4  -6.538  -0.686  -8.013
   29   HH22  ARG   4          2HH2      ARG   4  -6.760  -2.281  -8.557
   30    H    CYS   5           H        CYS   5  -1.230  -2.917  -4.326
   31    HA   CYS   5           HA       CYS   5   0.187  -2.421  -1.888
   32    HB2  CYS   5           2HB      CYS   5   0.900  -4.395  -4.047
   33    HB3  CYS   5           1HB      CYS   5   1.690  -4.224  -2.489
   34    H    LEU   6           H        LEU   6   2.232  -1.663  -1.830
   35    HA   LEU   6           HA       LEU   6   3.146  -0.188  -4.177
   36    HB2  LEU   6           2HB      LEU   6   1.806   1.355  -2.814
   37    HB3  LEU   6           1HB      LEU   6   2.727   0.920  -1.391
   38    HG   LEU   6           HG       LEU   6   4.748   1.917  -2.460
   39   HD11  LEU   6          1HD1      LEU   6   4.110   1.738  -4.782
   40   HD12  LEU   6          2HD1      LEU   6   4.450   3.418  -4.363
   41   HD13  LEU   6          3HD1      LEU   6   2.781   2.870  -4.524
   42   HD21  LEU   6          3HD2      LEU   6   2.382   3.759  -2.127
   43   HD22  LEU   6          1HD2      LEU   6   4.076   4.245  -2.096
   44   HD23  LEU   6          2HD2      LEU   6   3.445   3.185  -0.842
   45    H    CYS   7           H        CYS   7   5.356  -0.158  -4.271
   46    HA   CYS   7           HA       CYS   7   6.705  -1.448  -2.032
   47    HB2  CYS   7           2HB      CYS   7   7.583  -1.401  -4.922
   48    HB3  CYS   7           1HB      CYS   7   8.338  -2.299  -3.605
   49    H    ARG   8           H        ARG   8   8.053  -0.372  -0.957
   50    HA   ARG   8           HA       ARG   8   8.944   2.192  -2.029
   51    HB2  ARG   8           2HB      ARG   8   7.597   2.480  -0.033
   52    HB3  ARG   8           1HB      ARG   8   8.577   1.301   0.837
   53    HG2  ARG   8           2HG      ARG   8  10.527   2.786   0.576
   54    HG3  ARG   8           1HG      ARG   8   9.483   3.966  -0.200
   55    HD2  ARG   8           2HD      ARG   8   8.233   4.284   1.804
   56    HD3  ARG   8           1HD      ARG   8   9.048   2.929   2.596
   57    HE   ARG   8           HE       ARG   8  11.000   4.656   1.751
   58   HH11  ARG   8          1HH1      ARG   8   8.318   4.903   4.017
   59   HH12  ARG   8          2HH1      ARG   8   9.135   5.918   5.123
   60   HH21  ARG   8          1HH2      ARG   8  12.113   6.049   3.167
   61   HH22  ARG   8          2HH2      ARG   8  11.393   6.617   4.607
   62    H    ARG   9           H        ARG   9  10.806   1.746  -2.971
   63    HA   ARG   9           HA       ARG   9  12.979   1.351  -3.260
   64    HB2  ARG   9           2HB      ARG   9  12.924   2.980  -1.303
   65    HB3  ARG   9           1HB      ARG   9  13.252   1.608  -0.263
   66    HG2  ARG   9           2HG      ARG   9  15.264   2.971  -0.835
   67    HG3  ARG   9           1HG      ARG   9  15.404   1.270  -1.288
   68    HD2  ARG   9           2HD      ARG   9  16.177   3.009  -3.002
   69    HD3  ARG   9           1HD      ARG   9  15.103   1.733  -3.571
   70    HE   ARG   9           HE       ARG   9  13.821   4.166  -2.694
   71   HH11  ARG   9          1HH1      ARG   9  15.281   2.589  -5.507
   72   HH12  ARG   9          2HH1      ARG   9  14.175   3.231  -6.632
   73   HH21  ARG   9          1HH2      ARG   9  12.256   4.981  -4.217
   74   HH22  ARG   9          2HH2      ARG   9  12.368   4.609  -5.874
   75    H    GLY  10           H        GLY  10  11.453  -0.973  -3.139
   76    HA2  GLY  10           2HA      GLY  10  12.392  -3.145  -3.487
   77    HA3  GLY  10           1HA      GLY  10  13.530  -2.811  -2.191
   78    H    ASP  11           H        ASP  11  11.019  -1.669  -0.712
   79    HA   ASP  11           HA       ASP  11  10.234  -4.296   0.322
   80    HB2  ASP  11           2HB      ASP  11  11.100  -2.851   2.055
   81    HB3  ASP  11           1HB      ASP  11   9.985  -1.566   1.592
   82    H    CYS  12           H        CYS  12   8.467  -5.095  -0.499
   83    HA   CYS  12           HA       CYS  12   6.393  -3.274  -1.329
   84    HB2  CYS  12           2HB      CYS  12   6.570  -6.239  -1.594
   85    HB3  CYS  12           1HB      CYS  12   5.288  -5.243  -2.248
   86    H    ARG  13           H        ARG  13   4.651  -2.982  -0.464
   87    HA   ARG  13           HA       ARG  13   3.800  -4.438   1.909
   88    HB2  ARG  13           2HB      ARG  13   3.563  -2.275   3.139
   89    HB3  ARG  13           1HB      ARG  13   5.243  -2.659   2.779
   90    HG2  ARG  13           2HG      ARG  13   5.149  -1.107   0.868
   91    HG3  ARG  13           1HG      ARG  13   3.493  -0.690   1.314
   92    HD2  ARG  13           2HD      ARG  13   5.042   0.977   2.154
   93    HD3  ARG  13           1HD      ARG  13   4.305   0.098   3.491
   94    HE   ARG  13           HE       ARG  13   6.723  -1.169   2.853
   95   HH11  ARG  13          1HH1      ARG  13   5.627   1.891   4.217
   96   HH12  ARG  13          2HH1      ARG  13   7.026   2.140   5.158
   97   HH21  ARG  13          1HH2      ARG  13   8.555  -0.879   4.046
   98   HH22  ARG  13          2HH2      ARG  13   8.810   0.482   5.062
   99    H    CYS  14           H        CYS  14   1.488  -3.740   2.426
  100    HA   CYS  14           HA       CYS  14   0.364  -2.611   0.031
  101    HB2  CYS  14           2HB      CYS  14  -0.928  -4.800   1.625
  102    HB3  CYS  14           1HB      CYS  14  -1.552  -4.071   0.165
  103    H    ILE  15           H        ILE  15  -1.148  -1.203   0.147
  104    HA   ILE  15           HA       ILE  15  -1.681  -0.095   2.821
  105    HB   ILE  15           HB       ILE  15  -1.516   1.328   0.131
  106   HG12  ILE  15          2HG1      ILE  15   0.325   1.466   2.530
  107   HG13  ILE  15          1HG1      ILE  15   0.678   0.632   1.024
  108   HG21  ILE  15          1HG2      ILE  15  -1.953   2.519   2.872
  109   HG22  ILE  15          2HG2      ILE  15  -3.181   2.365   1.621
  110   HG23  ILE  15          3HG2      ILE  15  -1.791   3.417   1.361
  111   HD11  ILE  15          3HD1      ILE  15   0.641   2.774  -0.159
  112   HD12  ILE  15          1HD1      ILE  15   1.821   2.775   1.150
  113   HD13  ILE  15          2HD1      ILE  15   0.275   3.599   1.354
  114    H    CYS  16           H        CYS  16  -3.790   0.168   3.378
  115    HA   CYS  16           HA       CYS  16  -5.770  -0.524   1.337
  116    HB2  CYS  16           2HB      CYS  16  -5.847  -1.224   4.260
  117    HB3  CYS  16           1HB      CYS  16  -7.054  -1.655   3.061
  118    H    THR  17           H        THR  17  -7.586   0.623   1.309
  119    HA   THR  17           HA       THR  17  -8.379   2.363   3.438
  120    HB   THR  17           HB       THR  17  -7.879   3.583   0.717
  121    HG1  THR  17           1HG      THR  17  -6.190   3.249   2.849
  122   HG21  THR  17          3HG2      THR  17  -9.691   4.596   2.014
  123   HG22  THR  17          1HG2      THR  17  -8.337   5.717   1.855
  124   HG23  THR  17          2HG2      THR  17  -8.590   4.847   3.367
  125    H    ARG  18           H        ARG  18 -10.532   2.548   3.392
  126    HA   ARG  18           HA       ARG  18 -12.700   2.338   2.846
  127    HB2  ARG  18           2HB      ARG  18 -11.827   3.855   0.993
  128    HB3  ARG  18           1HB      ARG  18 -11.777   2.423  -0.014
  129    HG2  ARG  18           2HG      ARG  18 -14.156   2.142   0.349
  130    HG3  ARG  18           1HG      ARG  18 -14.205   3.675   1.219
  131    HD2  ARG  18           2HD      ARG  18 -13.423   3.261  -1.671
  132    HD3  ARG  18           1HD      ARG  18 -14.799   4.180  -1.053
  133    HE   ARG  18           HE       ARG  18 -12.654   5.376   0.091
  134   HH11  ARG  18          1HH1      ARG  18 -13.601   4.788  -3.270
  135   HH12  ARG  18          2HH1      ARG  18 -12.652   6.037  -3.919
  136   HH21  ARG  18          1HH2      ARG  18 -11.337   7.058  -0.766
  137   HH22  ARG  18          2HH2      ARG  18 -11.303   7.376  -2.443
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -10.968   0.518   2.547
    2    HA2  GLY   1           2HA      GLY   1 -12.164  -1.430   2.156
    3    HA3  GLY   1           1HA      GLY   1 -13.111  -0.581   0.947
    4    H    PHE   2           H        PHE   2 -10.072   0.180   0.131
    5    HA   PHE   2           HA       PHE   2  -9.925  -2.100  -1.707
    6    HB2  PHE   2           2HB      PHE   2 -10.580  -0.052  -2.839
    7    HB3  PHE   2           1HB      PHE   2  -9.176   0.777  -2.177
    8    HD1  PHE   2           2HD      PHE   2 -10.211  -1.968  -4.451
    9    HD2  PHE   2           1HD      PHE   2  -7.145   0.773  -3.342
   10    HE1  PHE   2           2HE      PHE   2  -8.930  -2.589  -6.457
   11    HE2  PHE   2           1HE      PHE   2  -5.862   0.156  -5.343
   12    HZ   PHE   2           HZ       PHE   2  -6.753  -1.526  -6.906
   13    H    CYS   3           H        CYS   3  -8.101  -3.181  -1.812
   14    HA   CYS   3           HA       CYS   3  -5.877  -2.260  -0.170
   15    HB2  CYS   3           2HB      CYS   3  -6.481  -5.006  -1.229
   16    HB3  CYS   3           1HB      CYS   3  -5.066  -4.585  -0.280
   17    H    ARG   4           H        ARG   4  -3.951  -1.893  -0.886
   18    HA   ARG   4           HA       ARG   4  -3.381  -2.392  -3.705
   19    HB2  ARG   4           2HB      ARG   4  -2.540  -0.136  -4.010
   20    HB3  ARG   4           1HB      ARG   4  -4.199  -0.038  -3.443
   21    HG2  ARG   4           2HG      ARG   4  -3.334   0.397  -1.150
   22    HG3  ARG   4           1HG      ARG   4  -1.704   0.417  -1.815
   23    HD2  ARG   4           2HD      ARG   4  -2.426   2.677  -1.626
   24    HD3  ARG   4           1HD      ARG   4  -2.452   2.255  -3.338
   25    HE   ARG   4           HE       ARG   4  -4.959   1.757  -2.197
   26   HH11  ARG   4          1HH1      ARG   4  -2.933   4.419  -3.334
   27   HH12  ARG   4          2HH1      ARG   4  -4.225   5.516  -3.523
   28   HH21  ARG   4          1HH2      ARG   4  -6.773   3.316  -2.449
   29   HH22  ARG   4          2HH2      ARG   4  -6.412   4.852  -3.045
   30    H    CYS   5           H        CYS   5  -1.249  -3.021  -3.976
   31    HA   CYS   5           HA       CYS   5   0.251  -2.963  -1.526
   32    HB2  CYS   5           2HB      CYS   5   0.844  -4.579  -3.965
   33    HB3  CYS   5           1HB      CYS   5   1.673  -4.684  -2.435
   34    H    LEU   6           H        LEU   6   2.083  -2.037  -1.346
   35    HA   LEU   6           HA       LEU   6   2.932  -0.357  -3.605
   36    HB2  LEU   6           2HB      LEU   6   2.704   0.475  -0.714
   37    HB3  LEU   6           1HB      LEU   6   3.429   1.439  -1.978
   38    HG   LEU   6           HG       LEU   6   0.522   0.641  -1.820
   39   HD11  LEU   6          1HD1      LEU   6   1.146   2.301  -0.155
   40   HD12  LEU   6          2HD1      LEU   6   0.133   3.013  -1.410
   41   HD13  LEU   6          3HD1      LEU   6   1.872   3.300  -1.412
   42   HD21  LEU   6          3HD2      LEU   6   1.256   0.824  -4.135
   43   HD22  LEU   6          1HD2      LEU   6   1.968   2.405  -3.796
   44   HD23  LEU   6          2HD2      LEU   6   0.223   2.182  -3.698
   45    H    CYS   7           H        CYS   7   5.034  -0.149  -3.877
   46    HA   CYS   7           HA       CYS   7   6.742  -1.415  -1.907
   47    HB2  CYS   7           2HB      CYS   7   7.089  -1.423  -4.914
   48    HB3  CYS   7           1HB      CYS   7   8.216  -2.084  -3.739
   49    H    ARG   8           H        ARG   8   7.935   0.055  -0.989
   50    HA   ARG   8           HA       ARG   8   8.555   2.434  -2.547
   51    HB2  ARG   8           2HB      ARG   8   7.360   2.869  -0.418
   52    HB3  ARG   8           1HB      ARG   8   8.663   2.087   0.465
   53    HG2  ARG   8           2HG      ARG   8  10.191   3.803  -0.071
   54    HG3  ARG   8           1HG      ARG   8   9.110   4.489  -1.282
   55    HD2  ARG   8           2HD      ARG   8   9.127   5.845   0.749
   56    HD3  ARG   8           1HD      ARG   8   7.540   5.140   0.470
   57    HE   ARG   8           HE       ARG   8   8.900   3.420   2.164
   58   HH11  ARG   8          1HH1      ARG   8   7.753   6.790   2.285
   59   HH12  ARG   8          2HH1      ARG   8   7.516   6.772   3.963
   60   HH21  ARG   8          1HH2      ARG   8   8.556   3.442   4.458
   61   HH22  ARG   8          2HH2      ARG   8   7.979   4.848   5.235
   62    H    ARG   9           H        ARG   9  10.222   2.057  -3.620
   63    HA   ARG   9           HA       ARG   9  12.237   1.471  -4.338
   64    HB2  ARG   9           2HB      ARG   9  12.662   3.498  -2.876
   65    HB3  ARG   9           1HB      ARG   9  13.214   2.392  -1.630
   66    HG2  ARG   9           2HG      ARG   9  14.995   1.603  -3.085
   67    HG3  ARG   9           1HG      ARG   9  14.425   2.660  -4.377
   68    HD2  ARG   9           2HD      ARG   9  16.299   3.701  -3.278
   69    HD3  ARG   9           1HD      ARG   9  14.833   4.600  -2.904
   70    HE   ARG   9           HE       ARG   9  15.748   2.573  -1.032
   71   HH11  ARG   9          1HH1      ARG   9  15.198   6.000  -1.726
   72   HH12  ARG   9          2HH1      ARG   9  15.528   6.518  -0.148
   73   HH21  ARG   9          1HH2      ARG   9  16.217   3.293   1.148
   74   HH22  ARG   9          2HH2      ARG   9  16.121   4.953   1.520
   75    H    GLY  10           H        GLY  10  11.044  -0.720  -3.752
   76    HA2  GLY  10           2HA      GLY  10  11.983  -2.921  -3.809
   77    HA3  GLY  10           1HA      GLY  10  13.197  -2.380  -2.669
   78    H    ASP  11           H        ASP  11  11.180  -1.105  -0.871
   79    HA   ASP  11           HA       ASP  11  10.579  -3.598   0.497
   80    HB2  ASP  11           2HB      ASP  11  11.630  -1.735   1.753
   81    HB3  ASP  11           1HB      ASP  11  10.198  -0.751   1.462
   82    H    CYS  12           H        CYS  12   8.754  -4.584   0.087
   83    HA   CYS  12           HA       CYS  12   6.441  -3.025  -0.811
   84    HB2  CYS  12           2HB      CYS  12   6.930  -5.981  -1.028
   85    HB3  CYS  12           1HB      CYS  12   5.573  -5.093  -1.687
   86    H    ARG  13           H        ARG  13   4.590  -3.073   0.047
   87    HA   ARG  13           HA       ARG  13   3.829  -5.012   2.039
   88    HB2  ARG  13           2HB      ARG  13   3.282  -3.433   3.818
   89    HB3  ARG  13           1HB      ARG  13   4.991  -3.346   3.451
   90    HG2  ARG  13           2HG      ARG  13   4.581  -1.282   2.166
   91    HG3  ARG  13           1HG      ARG  13   2.872  -1.380   2.605
   92    HD2  ARG  13           2HD      ARG  13   5.201  -1.095   4.507
   93    HD3  ARG  13           1HD      ARG  13   4.023   0.151   4.097
   94    HE   ARG  13           HE       ARG  13   2.475  -1.844   5.046
   95   HH11  ARG  13          1HH1      ARG  13   5.216  -0.071   6.417
   96   HH12  ARG  13          2HH1      ARG  13   4.821  -0.403   8.021
   97   HH21  ARG  13          1HH2      ARG  13   1.926  -2.292   7.238
   98   HH22  ARG  13          2HH2      ARG  13   2.892  -1.706   8.524
   99    H    CYS  14           H        CYS  14   1.534  -5.016   2.388
  100    HA   CYS  14           HA       CYS  14   0.251  -3.462   0.325
  101    HB2  CYS  14           2HB      CYS  14  -0.821  -5.925   1.632
  102    HB3  CYS  14           1HB      CYS  14  -1.565  -5.068   0.306
  103    H    ILE  15           H        ILE  15  -1.126  -2.112   0.685
  104    HA   ILE  15           HA       ILE  15  -1.926  -1.604   3.479
  105    HB   ILE  15           HB       ILE  15  -1.258   0.435   1.324
  106   HG12  ILE  15          2HG1      ILE  15   0.125  -0.190   3.946
  107   HG13  ILE  15          1HG1      ILE  15   0.712  -0.639   2.349
  108   HG21  ILE  15          1HG2      ILE  15  -1.642   2.157   3.038
  109   HG22  ILE  15          2HG2      ILE  15  -2.183   0.908   4.162
  110   HG23  ILE  15          3HG2      ILE  15  -3.111   1.237   2.699
  111   HD11  ILE  15          3HD1      ILE  15   0.966   1.732   1.797
  112   HD12  ILE  15          1HD1      ILE  15   1.899   1.292   3.227
  113   HD13  ILE  15          2HD1      ILE  15   0.375   2.163   3.399
  114    H    CYS  16           H        CYS  16  -4.065  -1.310   3.813
  115    HA   CYS  16           HA       CYS  16  -5.743  -1.129   1.427
  116    HB2  CYS  16           2HB      CYS  16  -6.529  -2.280   4.100
  117    HB3  CYS  16           1HB      CYS  16  -7.479  -2.293   2.624
  118    H    THR  17           H        THR  17  -7.210   0.357   1.284
  119    HA   THR  17           HA       THR  17  -7.811   2.088   3.502
  120    HB   THR  17           HB       THR  17  -6.550   3.183   1.005
  121    HG1  THR  17           1HG      THR  17  -5.425   2.157   3.191
  122   HG21  THR  17          3HG2      THR  17  -7.343   4.552   3.581
  123   HG22  THR  17          1HG2      THR  17  -8.143   4.724   2.019
  124   HG23  THR  17          2HG2      THR  17  -6.503   5.334   2.244
  125    H    ARG  18           H        ARG  18  -9.758   2.928   3.273
  126    HA   ARG  18           HA       ARG  18 -11.866   3.220   2.635
  127    HB2  ARG  18           2HB      ARG  18 -10.565   4.881   1.225
  128    HB3  ARG  18           1HB      ARG  18 -10.712   3.746  -0.102
  129    HG2  ARG  18           2HG      ARG  18 -13.110   3.886   0.052
  130    HG3  ARG  18           1HG      ARG  18 -12.977   5.057   1.361
  131    HD2  ARG  18           2HD      ARG  18 -11.661   6.533  -0.137
  132    HD3  ARG  18           1HD      ARG  18 -11.993   5.423  -1.463
  133    HE   ARG  18           HE       ARG  18 -14.399   5.888  -0.974
  134   HH11  ARG  18          1HH1      ARG  18 -11.847   8.307  -0.378
  135   HH12  ARG  18          2HH1      ARG  18 -12.898   9.635  -0.524
  136   HH21  ARG  18          1HH2      ARG  18 -15.827   7.772  -1.157
  137   HH22  ARG  18          2HH2      ARG  18 -15.155   9.333  -0.962
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -11.073  -0.764   2.790
    2    HA2  GLY   1           2HA      GLY   1 -11.169  -3.082   2.922
    3    HA3  GLY   1           1HA      GLY   1 -12.561  -3.065   1.852
    4    H    PHE   2           H        PHE   2 -10.374  -1.180   0.327
    5    HA   PHE   2           HA       PHE   2  -9.362  -3.445  -1.248
    6    HB2  PHE   2           2HB      PHE   2 -10.869  -1.840  -2.449
    7    HB3  PHE   2           1HB      PHE   2  -9.739  -0.547  -2.080
    8    HD1  PHE   2           2HD      PHE   2 -10.204  -3.665  -3.992
    9    HD2  PHE   2           1HD      PHE   2  -7.793  -0.205  -3.409
   10    HE1  PHE   2           2HE      PHE   2  -8.996  -4.158  -6.078
   11    HE2  PHE   2           1HE      PHE   2  -6.581  -0.691  -5.492
   12    HZ   PHE   2           HZ       PHE   2  -7.180  -2.672  -6.829
   13    H    CYS   3           H        CYS   3  -7.103  -3.477  -1.734
   14    HA   CYS   3           HA       CYS   3  -5.577  -1.504  -0.203
   15    HB2  CYS   3           2HB      CYS   3  -4.876  -4.401  -0.506
   16    HB3  CYS   3           1HB      CYS   3  -4.055  -3.208   0.486
   17    H    ARG   4           H        ARG   4  -4.118  -0.521  -1.273
   18    HA   ARG   4           HA       ARG   4  -3.175  -1.620  -3.839
   19    HB2  ARG   4           2HB      ARG   4  -4.232   0.656  -3.986
   20    HB3  ARG   4           1HB      ARG   4  -3.045   1.252  -2.834
   21    HG2  ARG   4           2HG      ARG   4  -1.238   0.728  -4.416
   22    HG3  ARG   4           1HG      ARG   4  -2.430   0.123  -5.560
   23    HD2  ARG   4           2HD      ARG   4  -1.745   2.364  -6.170
   24    HD3  ARG   4           1HD      ARG   4  -3.436   2.361  -5.668
   25    HE   ARG   4           HE       ARG   4  -2.083   2.993  -3.407
   26   HH11  ARG   4          1HH1      ARG   4  -1.981   4.331  -6.672
   27   HH12  ARG   4          2HH1      ARG   4  -1.775   5.941  -6.181
   28   HH21  ARG   4          1HH2      ARG   4  -1.821   5.212  -2.700
   29   HH22  ARG   4          2HH2      ARG   4  -1.698   6.471  -3.836
   30    H    CYS   5           H        CYS   5  -0.846  -1.741  -4.093
   31    HA   CYS   5           HA       CYS   5   0.358  -1.477  -1.509
   32    HB2  CYS   5           2HB      CYS   5   1.158  -3.400  -3.666
   33    HB3  CYS   5           1HB      CYS   5   1.826  -3.309  -2.052
   34    H    LEU   6           H        LEU   6   2.299  -0.673  -1.289
   35    HA   LEU   6           HA       LEU   6   3.363   0.854  -3.563
   36    HB2  LEU   6           2HB      LEU   6   2.420   2.263  -1.789
   37    HB3  LEU   6           1HB      LEU   6   3.469   1.497  -0.617
   38    HG   LEU   6           HG       LEU   6   5.435   2.421  -1.818
   39   HD11  LEU   6          1HD1      LEU   6   3.362   3.900  -3.432
   40   HD12  LEU   6          2HD1      LEU   6   4.494   2.686  -4.029
   41   HD13  LEU   6          3HD1      LEU   6   5.096   4.231  -3.431
   42   HD21  LEU   6          3HD2      LEU   6   3.393   4.429  -0.879
   43   HD22  LEU   6          1HD2      LEU   6   5.122   4.727  -1.048
   44   HD23  LEU   6          2HD2      LEU   6   4.538   3.549   0.130
   45    H    CYS   7           H        CYS   7   5.198   0.055  -4.265
   46    HA   CYS   7           HA       CYS   7   6.900  -1.450  -2.462
   47    HB2  CYS   7           2HB      CYS   7   7.003  -1.160  -5.466
   48    HB3  CYS   7           1HB      CYS   7   8.105  -2.147  -4.504
   49    H    ARG   8           H        ARG   8   8.600  -0.649  -1.552
   50    HA   ARG   8           HA       ARG   8   9.895   1.674  -2.779
   51    HB2  ARG   8           2HB      ARG   8   9.435   1.265   0.181
   52    HB3  ARG   8           1HB      ARG   8  10.208   2.645  -0.572
   53    HG2  ARG   8           2HG      ARG   8   8.068   3.195  -1.688
   54    HG3  ARG   8           1HG      ARG   8   7.320   1.850  -0.838
   55    HD2  ARG   8           2HD      ARG   8   6.833   3.883   0.331
   56    HD3  ARG   8           1HD      ARG   8   7.949   2.913   1.291
   57    HE   ARG   8           HE       ARG   8   9.635   4.472  -0.014
   58   HH11  ARG   8          1HH1      ARG   8   6.700   5.275   1.825
   59   HH12  ARG   8          2HH1      ARG   8   7.205   6.861   2.156
   60   HH21  ARG   8          1HH2      ARG   8  10.320   6.629   0.496
   61   HH22  ARG   8          2HH2      ARG   8   9.310   7.652   1.412
   62    H    ARG   9           H        ARG   9  11.763   0.899  -3.435
   63    HA   ARG   9           HA       ARG   9  13.830  -0.001  -3.484
   64    HB2  ARG   9           2HB      ARG   9  14.082   1.462  -1.479
   65    HB3  ARG   9           1HB      ARG   9  13.594   0.121  -0.464
   66    HG2  ARG   9           2HG      ARG   9  15.640  -1.086  -1.120
   67    HG3  ARG   9           1HG      ARG   9  16.117   0.299  -2.111
   68    HD2  ARG   9           2HD      ARG   9  16.212   1.723  -0.218
   69    HD3  ARG   9           1HD      ARG   9  15.494   0.498   0.824
   70    HE   ARG   9           HE       ARG   9  17.872  -0.509  -0.228
   71   HH11  ARG   9          1HH1      ARG   9  16.799   2.065   1.925
   72   HH12  ARG   9          2HH1      ARG   9  18.178   2.029   2.921
   73   HH21  ARG   9          1HH2      ARG   9  19.808  -0.566   1.150
   74   HH22  ARG   9          2HH2      ARG   9  19.906   0.496   2.476
   75    H    GLY  10           H        GLY  10  11.520  -1.689  -3.511
   76    HA2  GLY  10           2HA      GLY  10  11.573  -3.993  -4.045
   77    HA3  GLY  10           1HA      GLY  10  12.867  -4.202  -2.877
   78    H    ASP  11           H        ASP  11  11.243  -2.502  -0.926
   79    HA   ASP  11           HA       ASP  11   9.764  -4.791   0.091
   80    HB2  ASP  11           2HB      ASP  11  11.258  -3.779   1.697
   81    HB3  ASP  11           1HB      ASP  11  10.563  -2.188   1.405
   82    H    CYS  12           H        CYS  12   7.734  -4.973  -0.342
   83    HA   CYS  12           HA       CYS  12   6.223  -2.552  -0.994
   84    HB2  CYS  12           2HB      CYS  12   5.389  -5.378  -1.507
   85    HB3  CYS  12           1HB      CYS  12   4.690  -3.922  -2.180
   86    H    ARG  13           H        ARG  13   4.770  -1.845   0.067
   87    HA   ARG  13           HA       ARG  13   3.697  -3.365   2.370
   88    HB2  ARG  13           2HB      ARG  13   4.338  -0.414   2.201
   89    HB3  ARG  13           1HB      ARG  13   3.512  -1.192   3.550
   90    HG2  ARG  13           2HG      ARG  13   5.465  -2.508   4.040
   91    HG3  ARG  13           1HG      ARG  13   6.306  -1.849   2.636
   92    HD2  ARG  13           2HD      ARG  13   7.041  -0.754   4.673
   93    HD3  ARG  13           1HD      ARG  13   6.169   0.374   3.633
   94    HE   ARG  13           HE       ARG  13   4.211  -0.381   5.155
   95   HH11  ARG  13          1HH1      ARG  13   7.500   0.480   6.138
   96   HH12  ARG  13          2HH1      ARG  13   7.021   0.962   7.702
   97   HH21  ARG  13          1HH2      ARG  13   3.591   0.315   7.216
   98   HH22  ARG  13          2HH2      ARG  13   4.750   0.874   8.339
   99    H    CYS  14           H        CYS  14   1.460  -3.245   2.593
  100    HA   CYS  14           HA       CYS  14   0.252  -1.849   0.371
  101    HB2  CYS  14           2HB      CYS  14  -0.924  -4.146   1.885
  102    HB3  CYS  14           1HB      CYS  14  -1.596  -3.396   0.448
  103    H    ILE  15           H        ILE  15  -1.269  -0.505   0.527
  104    HA   ILE  15           HA       ILE  15  -2.092   0.365   3.228
  105    HB   ILE  15           HB       ILE  15  -1.948   1.974   0.640
  106   HG12  ILE  15          2HG1      ILE  15  -0.442   3.505   2.008
  107   HG13  ILE  15          1HG1      ILE  15  -0.422   2.268   3.252
  108   HG21  ILE  15          1HG2      ILE  15  -3.949   2.637   1.810
  109   HG22  ILE  15          2HG2      ILE  15  -2.751   3.930   1.895
  110   HG23  ILE  15          3HG2      ILE  15  -3.036   2.895   3.294
  111   HD11  ILE  15          3HD1      ILE  15   1.593   2.217   1.900
  112   HD12  ILE  15          1HD1      ILE  15   0.632   1.989   0.441
  113   HD13  ILE  15          2HD1      ILE  15   0.665   0.734   1.681
  114    H    CYS  16           H        CYS  16  -4.195   0.103   3.758
  115    HA   CYS  16           HA       CYS  16  -6.010  -0.623   1.573
  116    HB2  CYS  16           2HB      CYS  16  -6.237  -1.359   4.484
  117    HB3  CYS  16           1HB      CYS  16  -7.274  -1.897   3.183
  118    H    THR  17           H        THR  17  -7.919   0.285   1.370
  119    HA   THR  17           HA       THR  17  -9.064   2.038   3.357
  120    HB   THR  17           HB       THR  17  -8.558   3.085   0.570
  121    HG1  THR  17           1HG      THR  17  -6.893   2.957   2.709
  122   HG21  THR  17          3HG2      THR  17  -9.413   4.460   3.128
  123   HG22  THR  17          1HG2      THR  17 -10.449   4.085   1.750
  124   HG23  THR  17          2HG2      THR  17  -9.148   5.272   1.586
  125    H    ARG  18           H        ARG  18 -11.279   1.979   3.118
  126    HA   ARG  18           HA       ARG  18 -13.286   1.184   2.582
  127    HB2  ARG  18           2HB      ARG  18 -12.844   2.882   0.751
  128    HB3  ARG  18           1HB      ARG  18 -12.383   1.542  -0.284
  129    HG2  ARG  18           2HG      ARG  18 -14.614   0.588   0.062
  130    HG3  ARG  18           1HG      ARG  18 -15.085   2.041   0.934
  131    HD2  ARG  18           2HD      ARG  18 -15.805   2.228  -1.375
  132    HD3  ARG  18           1HD      ARG  18 -14.532   3.404  -1.045
  133    HE   ARG  18           HE       ARG  18 -13.974   0.831  -2.333
  134   HH11  ARG  18          1HH1      ARG  18 -13.737   4.371  -2.341
  135   HH12  ARG  18          2HH1      ARG  18 -12.825   4.453  -3.763
  136   HH21  ARG  18          1HH2      ARG  18 -12.705   0.955  -4.308
  137   HH22  ARG  18          2HH2      ARG  18 -12.208   2.462  -4.903
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -11.296  -0.314   2.850
    2    HA2  GLY   1           2HA      GLY   1 -12.532  -1.963   1.753
    3    HA3  GLY   1           1HA      GLY   1 -13.309  -0.716   0.800
    4    H    PHE   2           H        PHE   2 -10.400   0.334   0.292
    5    HA   PHE   2           HA       PHE   2 -10.060  -1.470  -1.984
    6    HB2  PHE   2           2HB      PHE   2 -10.653   0.858  -2.530
    7    HB3  PHE   2           1HB      PHE   2  -9.166   1.394  -1.738
    8    HD1  PHE   2           2HD      PHE   2 -10.531  -0.522  -4.583
    9    HD2  PHE   2           1HD      PHE   2  -7.093   1.336  -2.904
   10    HE1  PHE   2           2HE      PHE   2  -9.340  -0.807  -6.717
   11    HE2  PHE   2           1HE      PHE   2  -5.894   1.052  -5.032
   12    HZ   PHE   2           HZ       PHE   2  -7.020  -0.021  -6.942
   13    H    CYS   3           H        CYS   3  -8.358  -2.610  -2.103
   14    HA   CYS   3           HA       CYS   3  -6.034  -1.988  -0.426
   15    HB2  CYS   3           2HB      CYS   3  -6.922  -4.650  -1.542
   16    HB3  CYS   3           1HB      CYS   3  -5.455  -4.378  -0.614
   17    H    ARG   4           H        ARG   4  -4.078  -1.864  -1.246
   18    HA   ARG   4           HA       ARG   4  -3.546  -2.542  -4.009
   19    HB2  ARG   4           2HB      ARG   4  -2.478  -0.311  -4.393
   20    HB3  ARG   4           1HB      ARG   4  -4.221  -0.198  -4.202
   21    HG2  ARG   4           2HG      ARG   4  -3.983   0.624  -1.959
   22    HG3  ARG   4           1HG      ARG   4  -2.250   0.329  -1.991
   23    HD2  ARG   4           2HD      ARG   4  -2.782   2.708  -2.300
   24    HD3  ARG   4           1HD      ARG   4  -1.957   2.025  -3.691
   25    HE   ARG   4           HE       ARG   4  -4.024   2.019  -4.864
   26   HH11  ARG   4          1HH1      ARG   4  -4.171   3.819  -1.788
   27   HH12  ARG   4          2HH1      ARG   4  -5.342   4.908  -2.348
   28   HH21  ARG   4          1HH2      ARG   4  -5.688   3.528  -5.570
   29   HH22  ARG   4          2HH2      ARG   4  -6.262   4.703  -4.485
   30    H    CYS   5           H        CYS   5  -1.313  -3.067  -4.239
   31    HA   CYS   5           HA       CYS   5   0.117  -2.806  -1.753
   32    HB2  CYS   5           2HB      CYS   5   0.618  -4.788  -3.957
   33    HB3  CYS   5           1HB      CYS   5   1.584  -4.622  -2.514
   34    H    LEU   6           H        LEU   6   2.196  -2.116  -1.768
   35    HA   LEU   6           HA       LEU   6   2.977  -0.665  -4.197
   36    HB2  LEU   6           2HB      LEU   6   1.692   0.792  -2.694
   37    HB3  LEU   6           1HB      LEU   6   2.824   0.458  -1.408
   38    HG   LEU   6           HG       LEU   6   4.605   1.541  -2.726
   39   HD11  LEU   6          1HD1      LEU   6   3.752   1.186  -4.953
   40   HD12  LEU   6          2HD1      LEU   6   3.929   2.919  -4.654
   41   HD13  LEU   6          3HD1      LEU   6   2.335   2.173  -4.598
   42   HD21  LEU   6          3HD2      LEU   6   3.379   2.804  -1.043
   43   HD22  LEU   6          1HD2      LEU   6   2.148   3.219  -2.235
   44   HD23  LEU   6          2HD2      LEU   6   3.790   3.829  -2.418
   45    H    CYS   7           H        CYS   7   5.160  -0.508  -4.489
   46    HA   CYS   7           HA       CYS   7   6.874  -1.499  -2.346
   47    HB2  CYS   7           2HB      CYS   7   7.235  -1.944  -5.325
   48    HB3  CYS   7           1HB      CYS   7   8.377  -2.396  -4.073
   49    H    ARG   8           H        ARG   8   8.380  -0.169  -1.727
   50    HA   ARG   8           HA       ARG   8   9.278   1.936  -3.547
   51    HB2  ARG   8           2HB      ARG   8   8.526   2.293  -0.642
   52    HB3  ARG   8           1HB      ARG   8   9.366   3.486  -1.610
   53    HG2  ARG   8           2HG      ARG   8   7.442   3.708  -3.056
   54    HG3  ARG   8           1HG      ARG   8   6.601   2.440  -2.151
   55    HD2  ARG   8           2HD      ARG   8   7.540   5.083  -1.049
   56    HD3  ARG   8           1HD      ARG   8   5.873   4.661  -1.449
   57    HE   ARG   8           HE       ARG   8   6.595   2.722   0.243
   58   HH11  ARG   8          1HH1      ARG   8   6.736   6.244   0.477
   59   HH12  ARG   8          2HH1      ARG   8   6.565   6.305   2.165
   60   HH21  ARG   8          1HH2      ARG   8   6.355   2.793   2.583
   61   HH22  ARG   8          2HH2      ARG   8   6.330   4.279   3.406
   62    H    ARG   9           H        ARG   9  11.299   1.439  -3.874
   63    HA   ARG   9           HA       ARG   9  13.479   1.145  -3.606
   64    HB2  ARG   9           2HB      ARG   9  12.990   3.143  -2.086
   65    HB3  ARG   9           1HB      ARG   9  13.145   2.029  -0.742
   66    HG2  ARG   9           2HG      ARG   9  15.197   3.301  -1.101
   67    HG3  ARG   9           1HG      ARG   9  15.452   1.574  -1.371
   68    HD2  ARG   9           2HD      ARG   9  16.530   2.999  -3.083
   69    HD3  ARG   9           1HD      ARG   9  15.365   1.875  -3.758
   70    HE   ARG   9           HE       ARG   9  14.525   4.611  -3.175
   71   HH11  ARG   9          1HH1      ARG   9  15.211   2.102  -5.571
   72   HH12  ARG   9          2HH1      ARG   9  14.633   2.988  -6.902
   73   HH21  ARG   9          1HH2      ARG   9  13.715   5.850  -5.019
   74   HH22  ARG   9          2HH2      ARG   9  13.767   5.195  -6.585
   75    H    GLY  10           H        GLY  10  11.828  -1.100  -3.159
   76    HA2  GLY  10           2HA      GLY  10  12.574  -3.334  -2.834
   77    HA3  GLY  10           1HA      GLY  10  13.753  -2.740  -1.677
   78    H    ASP  11           H        ASP  11  11.118  -1.173  -0.743
   79    HA   ASP  11           HA       ASP  11  10.355  -3.300   1.132
   80    HB2  ASP  11           2HB      ASP  11  11.181  -1.252   2.203
   81    HB3  ASP  11           1HB      ASP  11  10.000  -0.298   1.324
   82    H    CYS  12           H        CYS  12   8.668  -4.399   0.379
   83    HA   CYS  12           HA       CYS  12   6.558  -2.889  -0.933
   84    HB2  CYS  12           2HB      CYS  12   6.953  -5.855  -0.746
   85    HB3  CYS  12           1HB      CYS  12   5.661  -5.058  -1.608
   86    H    ARG  13           H        ARG  13   4.718  -2.673  -0.166
   87    HA   ARG  13           HA       ARG  13   3.951  -3.943   2.356
   88    HB2  ARG  13           2HB      ARG  13   5.088  -1.806   2.909
   89    HB3  ARG  13           1HB      ARG  13   3.980  -0.952   1.855
   90    HG2  ARG  13           2HG      ARG  13   3.316  -0.630   4.149
   91    HG3  ARG  13           1HG      ARG  13   2.113  -1.630   3.337
   92    HD2  ARG  13           2HD      ARG  13   3.159  -3.630   4.297
   93    HD3  ARG  13           1HD      ARG  13   4.323  -2.606   5.136
   94    HE   ARG  13           HE       ARG  13   1.698  -1.809   5.753
   95   HH11  ARG  13          1HH1      ARG  13   4.037  -4.356   6.462
   96   HH12  ARG  13          2HH1      ARG  13   3.369  -4.738   7.985
   97   HH21  ARG  13          1HH2      ARG  13   0.755  -2.363   7.847
   98   HH22  ARG  13          2HH2      ARG  13   1.456  -3.602   8.766
   99    H    CYS  14           H        CYS  14   1.710  -4.226   2.438
  100    HA   CYS  14           HA       CYS  14   0.331  -3.144   0.163
  101    HB2  CYS  14           2HB      CYS  14  -0.477  -5.456   1.901
  102    HB3  CYS  14           1HB      CYS  14  -1.432  -4.833   0.578
  103    H    ILE  15           H        ILE  15  -1.394  -1.969   0.359
  104    HA   ILE  15           HA       ILE  15  -1.999  -1.015   3.065
  105    HB   ILE  15           HB       ILE  15  -1.794   0.665   0.544
  106   HG12  ILE  15          2HG1      ILE  15  -0.113   1.992   2.015
  107   HG13  ILE  15          1HG1      ILE  15  -0.049   0.546   3.005
  108   HG21  ILE  15          1HG2      ILE  15  -2.647   1.485   3.295
  109   HG22  ILE  15          2HG2      ILE  15  -3.626   1.467   1.829
  110   HG23  ILE  15          3HG2      ILE  15  -2.284   2.599   1.982
  111   HD11  ILE  15          3HD1      ILE  15   1.814   0.637   1.455
  112   HD12  ILE  15          1HD1      ILE  15   0.699   0.757   0.093
  113   HD13  ILE  15          2HD1      ILE  15   0.756  -0.716   1.061
  114    H    CYS  16           H        CYS  16  -4.054  -1.387   3.553
  115    HA   CYS  16           HA       CYS  16  -6.048  -1.188   1.417
  116    HB2  CYS  16           2HB      CYS  16  -6.291  -2.563   4.090
  117    HB3  CYS  16           1HB      CYS  16  -7.564  -2.422   2.904
  118    H    THR  17           H        THR  17  -7.588   0.228   1.621
  119    HA   THR  17           HA       THR  17  -7.970   1.666   4.095
  120    HB   THR  17           HB       THR  17  -7.268   3.211   1.628
  121    HG1  THR  17           1HG      THR  17  -5.655   1.967   3.455
  122   HG21  THR  17          3HG2      THR  17  -7.424   4.006   4.529
  123   HG22  THR  17          1HG2      THR  17  -8.609   4.378   3.278
  124   HG23  THR  17          2HG2      THR  17  -6.992   5.088   3.204
  125    H    ARG  18           H        ARG  18  -9.968   2.003   4.262
  126    HA   ARG  18           HA       ARG  18 -12.177   1.881   3.966
  127    HB2  ARG  18           2HB      ARG  18 -11.467   4.261   3.478
  128    HB3  ARG  18           1HB      ARG  18 -11.676   3.884   1.776
  129    HG2  ARG  18           2HG      ARG  18 -13.986   3.354   2.156
  130    HG3  ARG  18           1HG      ARG  18 -13.822   3.705   3.871
  131    HD2  ARG  18           2HD      ARG  18 -13.095   6.020   3.260
  132    HD3  ARG  18           1HD      ARG  18 -13.527   5.657   1.585
  133    HE   ARG  18           HE       ARG  18 -15.761   5.049   2.964
  134   HH11  ARG  18          1HH1      ARG  18 -13.803   7.994   2.712
  135   HH12  ARG  18          2HH1      ARG  18 -15.062   9.021   3.211
  136   HH21  ARG  18          1HH2      ARG  18 -17.502   6.518   3.588
  137   HH22  ARG  18          2HH2      ARG  18 -17.172   8.192   3.683
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -10.650   0.738   2.578
    2    HA2  GLY   1           2HA      GLY   1 -11.973  -1.193   2.466
    3    HA3  GLY   1           1HA      GLY   1 -13.026  -0.377   1.323
    4    H    PHE   2           H        PHE   2  -9.908   0.082   0.260
    5    HA   PHE   2           HA       PHE   2 -10.009  -2.344  -1.401
    6    HB2  PHE   2           2HB      PHE   2 -10.585  -0.298  -2.691
    7    HB3  PHE   2           1HB      PHE   2  -9.081   0.437  -2.155
    8    HD1  PHE   2           2HD      PHE   2 -10.522  -2.218  -4.270
    9    HD2  PHE   2           1HD      PHE   2  -7.039   0.019  -3.286
   10    HE1  PHE   2           2HE      PHE   2  -9.392  -3.101  -6.268
   11    HE2  PHE   2           1HE      PHE   2  -5.906  -0.859  -5.287
   12    HZ   PHE   2           HZ       PHE   2  -7.080  -2.423  -6.776
   13    H    CYS   3           H        CYS   3  -8.021  -3.389  -1.687
   14    HA   CYS   3           HA       CYS   3  -5.833  -2.292  -0.078
   15    HB2  CYS   3           2HB      CYS   3  -6.305  -5.161  -0.754
   16    HB3  CYS   3           1HB      CYS   3  -5.084  -4.530   0.333
   17    H    ARG   4           H        ARG   4  -4.303  -1.625  -1.038
   18    HA   ARG   4           HA       ARG   4  -3.696  -2.502  -3.782
   19    HB2  ARG   4           2HB      ARG   4  -4.492  -0.160  -3.644
   20    HB3  ARG   4           1HB      ARG   4  -3.229   0.192  -2.472
   21    HG2  ARG   4           2HG      ARG   4  -1.539  -0.339  -4.196
   22    HG3  ARG   4           1HG      ARG   4  -2.839  -0.568  -5.360
   23    HD2  ARG   4           2HD      ARG   4  -3.556   1.745  -5.005
   24    HD3  ARG   4           1HD      ARG   4  -2.220   1.982  -3.873
   25    HE   ARG   4           HE       ARG   4  -1.345   0.995  -6.378
   26   HH11  ARG   4          1HH1      ARG   4  -2.319   4.024  -4.768
   27   HH12  ARG   4          2HH1      ARG   4  -1.474   5.021  -5.864
   28   HH21  ARG   4          1HH2      ARG   4  -0.213   2.410  -7.873
   29   HH22  ARG   4          2HH2      ARG   4  -0.234   4.092  -7.648
   30    H    CYS   5           H        CYS   5  -1.479  -3.046  -4.138
   31    HA   CYS   5           HA       CYS   5   0.023  -2.873  -1.711
   32    HB2  CYS   5           2HB      CYS   5   0.588  -4.656  -4.070
   33    HB3  CYS   5           1HB      CYS   5   1.471  -4.633  -2.557
   34    H    LEU   6           H        LEU   6   2.081  -2.106  -1.709
   35    HA   LEU   6           HA       LEU   6   2.830  -0.590  -4.079
   36    HB2  LEU   6           2HB      LEU   6   3.436   1.331  -2.572
   37    HB3  LEU   6           1HB      LEU   6   1.725   1.043  -2.767
   38    HG   LEU   6           HG       LEU   6   1.826  -0.130  -0.490
   39   HD11  LEU   6          1HD1      LEU   6   4.452   1.329  -0.299
   40   HD12  LEU   6          2HD1      LEU   6   4.230  -0.425  -0.314
   41   HD13  LEU   6          3HD1      LEU   6   3.602   0.534   1.028
   42   HD21  LEU   6          3HD2      LEU   6   2.379   2.822  -0.663
   43   HD22  LEU   6          1HD2      LEU   6   1.669   1.985   0.715
   44   HD23  LEU   6          2HD2      LEU   6   0.809   2.033  -0.821
   45    H    CYS   7           H        CYS   7   5.050  -0.024  -4.175
   46    HA   CYS   7           HA       CYS   7   6.736  -1.451  -2.296
   47    HB2  CYS   7           2HB      CYS   7   7.114  -1.441  -5.303
   48    HB3  CYS   7           1HB      CYS   7   8.263  -2.081  -4.139
   49    H    ARG   8           H        ARG   8   7.931  -0.036  -1.335
   50    HA   ARG   8           HA       ARG   8   8.778   2.294  -2.856
   51    HB2  ARG   8           2HB      ARG   8   7.927   2.200   0.052
   52    HB3  ARG   8           1HB      ARG   8   8.643   3.604  -0.733
   53    HG2  ARG   8           2HG      ARG   8   6.753   3.732  -2.275
   54    HG3  ARG   8           1HG      ARG   8   6.044   2.298  -1.549
   55    HD2  ARG   8           2HD      ARG   8   5.828   3.490   0.578
   56    HD3  ARG   8           1HD      ARG   8   6.534   4.927  -0.157
   57    HE   ARG   8           HE       ARG   8   4.406   4.243  -1.743
   58   HH11  ARG   8          1HH1      ARG   8   4.791   5.158   1.673
   59   HH12  ARG   8          2HH1      ARG   8   3.254   5.848   1.813
   60   HH21  ARG   8          1HH2      ARG   8   2.254   5.191  -1.525
   61   HH22  ARG   8          2HH2      ARG   8   1.761   5.846  -0.047
   62    H    ARG   9           H        ARG   9  10.791   2.222  -3.192
   63    HA   ARG   9           HA       ARG   9  12.976   1.808  -3.139
   64    HB2  ARG   9           2HB      ARG   9  12.666   3.440  -1.211
   65    HB3  ARG   9           1HB      ARG   9  12.759   2.048  -0.142
   66    HG2  ARG   9           2HG      ARG   9  14.990   1.546  -1.070
   67    HG3  ARG   9           1HG      ARG   9  14.906   3.041  -2.001
   68    HD2  ARG   9           2HD      ARG   9  16.133   3.465  -0.018
   69    HD3  ARG   9           1HD      ARG   9  14.562   4.254   0.140
   70    HE   ARG   9           HE       ARG   9  14.652   1.605   1.226
   71   HH11  ARG   9          1HH1      ARG   9  15.048   5.020   1.949
   72   HH12  ARG   9          2HH1      ARG   9  15.053   4.838   3.641
   73   HH21  ARG   9          1HH2      ARG   9  14.655   1.289   3.510
   74   HH22  ARG   9          2HH2      ARG   9  14.817   2.619   4.573
   75    H    GLY  10           H        GLY  10  11.550  -0.451  -3.376
   76    HA2  GLY  10           2HA      GLY  10  12.251  -2.672  -3.542
   77    HA3  GLY  10           1HA      GLY  10  13.413  -2.377  -2.259
   78    H    ASP  11           H        ASP  11  11.072  -1.123  -0.680
   79    HA   ASP  11           HA       ASP  11  10.371  -3.676   0.531
   80    HB2  ASP  11           2HB      ASP  11  11.238  -1.961   2.038
   81    HB3  ASP  11           1HB      ASP  11   9.978  -0.845   1.527
   82    H    CYS  12           H        CYS  12   8.617  -4.627  -0.114
   83    HA   CYS  12           HA       CYS  12   6.409  -2.996  -1.074
   84    HB2  CYS  12           2HB      CYS  12   6.813  -5.959  -1.325
   85    HB3  CYS  12           1HB      CYS  12   5.529  -5.020  -2.045
   86    H    ARG  13           H        ARG  13   4.628  -2.944  -0.203
   87    HA   ARG  13           HA       ARG  13   3.890  -4.698   1.998
   88    HB2  ARG  13           2HB      ARG  13   5.074  -2.899   3.132
   89    HB3  ARG  13           1HB      ARG  13   4.166  -1.690   2.242
   90    HG2  ARG  13           2HG      ARG  13   3.362  -1.836   4.518
   91    HG3  ARG  13           1HG      ARG  13   2.117  -2.382   3.397
   92    HD2  ARG  13           2HD      ARG  13   2.846  -4.744   3.900
   93    HD3  ARG  13           1HD      ARG  13   3.873  -4.078   5.175
   94    HE   ARG  13           HE       ARG  13   1.321  -3.048   5.482
   95   HH11  ARG  13          1HH1      ARG  13   2.965  -6.175   5.934
   96   HH12  ARG  13          2HH1      ARG  13   1.783  -6.798   6.980
   97   HH21  ARG  13          1HH2      ARG  13  -0.289  -3.934   6.966
   98   HH22  ARG  13          2HH2      ARG  13  -0.090  -5.525   7.566
   99    H    CYS  14           H        CYS  14   1.638  -4.867   2.150
  100    HA   CYS  14           HA       CYS  14   0.284  -3.387   0.110
  101    HB2  CYS  14           2HB      CYS  14  -0.669  -5.800   1.633
  102    HB3  CYS  14           1HB      CYS  14  -1.559  -5.001   0.351
  103    H    ILE  15           H        ILE  15  -1.451  -2.166   0.514
  104    HA   ILE  15           HA       ILE  15  -1.991  -1.668   3.334
  105    HB   ILE  15           HB       ILE  15  -0.420   0.006   2.569
  106   HG12  ILE  15          2HG1      ILE  15  -1.698   2.077   3.090
  107   HG13  ILE  15          1HG1      ILE  15  -3.192   1.159   2.919
  108   HG21  ILE  15          1HG2      ILE  15  -0.821   0.010   0.209
  109   HG22  ILE  15          2HG2      ILE  15  -0.975   1.653   0.834
  110   HG23  ILE  15          3HG2      ILE  15  -2.422   0.713   0.443
  111   HD11  ILE  15          3HD1      ILE  15  -2.570   1.472   5.245
  112   HD12  ILE  15          1HD1      ILE  15  -1.042   0.645   4.957
  113   HD13  ILE  15          2HD1      ILE  15  -2.560  -0.233   4.805
  114    H    CYS  16           H        CYS  16  -4.071  -1.604   3.813
  115    HA   CYS  16           HA       CYS  16  -5.996  -1.339   1.637
  116    HB2  CYS  16           2HB      CYS  16  -6.511  -2.143   4.480
  117    HB3  CYS  16           1HB      CYS  16  -7.650  -2.205   3.157
  118    H    THR  17           H        THR  17  -7.149   0.266   1.396
  119    HA   THR  17           HA       THR  17  -7.542   2.265   3.479
  120    HB   THR  17           HB       THR  17  -6.510   3.070   0.775
  121    HG1  THR  17           1HG      THR  17  -5.140   2.178   3.023
  122   HG21  THR  17          3HG2      THR  17  -5.996   5.197   1.923
  123   HG22  THR  17          1HG2      THR  17  -6.648   4.529   3.417
  124   HG23  THR  17          2HG2      THR  17  -7.710   4.787   2.030
  125    H    ARG  18           H        ARG  18  -9.520   3.097   3.250
  126    HA   ARG  18           HA       ARG  18 -11.592   3.546   2.580
  127    HB2  ARG  18           2HB      ARG  18 -10.189   4.874   0.923
  128    HB3  ARG  18           1HB      ARG  18 -10.516   3.596  -0.232
  129    HG2  ARG  18           2HG      ARG  18 -12.903   3.986   0.088
  130    HG3  ARG  18           1HG      ARG  18 -12.521   5.370   1.106
  131    HD2  ARG  18           2HD      ARG  18 -11.208   6.327  -0.783
  132    HD3  ARG  18           1HD      ARG  18 -11.794   5.006  -1.790
  133    HE   ARG  18           HE       ARG  18 -13.997   6.143  -0.656
  134   HH11  ARG  18          1HH1      ARG  18 -11.443   7.083  -2.906
  135   HH12  ARG  18          2HH1      ARG  18 -12.331   8.324  -3.640
  136   HH21  ARG  18          1HH2      ARG  18 -15.237   7.827  -1.650
  137   HH22  ARG  18          2HH2      ARG  18 -14.579   8.773  -2.910
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -11.122  -0.598   2.529
    2    HA2  GLY   1           2HA      GLY   1 -11.945  -2.729   2.015
    3    HA3  GLY   1           1HA      GLY   1 -12.986  -2.004   0.805
    4    H    PHE   2           H        PHE   2 -10.531  -0.542  -0.297
    5    HA   PHE   2           HA       PHE   2  -9.695  -2.831  -1.930
    6    HB2  PHE   2           2HB      PHE   2 -10.741  -0.888  -3.087
    7    HB3  PHE   2           1HB      PHE   2  -9.415   0.122  -2.514
    8    HD1  PHE   2           2HD      PHE   2 -10.357  -2.604  -4.773
    9    HD2  PHE   2           1HD      PHE   2  -7.245   0.039  -3.578
   10    HE1  PHE   2           2HE      PHE   2  -9.067  -3.224  -6.777
   11    HE2  PHE   2           1HE      PHE   2  -5.948  -0.578  -5.578
   12    HZ   PHE   2           HZ       PHE   2  -6.865  -2.213  -7.178
   13    H    CYS   3           H        CYS   3  -7.643  -3.451  -1.938
   14    HA   CYS   3           HA       CYS   3  -5.828  -1.926  -0.225
   15    HB2  CYS   3           2HB      CYS   3  -5.699  -4.861  -0.847
   16    HB3  CYS   3           1HB      CYS   3  -4.697  -3.985   0.299
   17    H    ARG   4           H        ARG   4  -4.056  -1.189  -0.936
   18    HA   ARG   4           HA       ARG   4  -3.109  -2.047  -3.563
   19    HB2  ARG   4           2HB      ARG   4  -4.343   0.113  -3.769
   20    HB3  ARG   4           1HB      ARG   4  -3.271   0.818  -2.572
   21    HG2  ARG   4           2HG      ARG   4  -2.585   1.526  -4.766
   22    HG3  ARG   4           1HG      ARG   4  -1.362   0.437  -4.111
   23    HD2  ARG   4           2HD      ARG   4  -2.367  -1.412  -5.424
   24    HD3  ARG   4           1HD      ARG   4  -3.507  -0.263  -6.119
   25    HE   ARG   4           HE       ARG   4  -0.711   0.396  -6.427
   26   HH11  ARG   4          1HH1      ARG   4  -3.570  -1.136  -7.977
   27   HH12  ARG   4          2HH1      ARG   4  -2.894  -1.041  -9.521
   28   HH21  ARG   4          1HH2      ARG   4   0.178   0.416  -8.630
   29   HH22  ARG   4          2HH2      ARG   4  -0.793  -0.190  -9.900
   30    H    CYS   5           H        CYS   5  -0.879  -2.238  -3.633
   31    HA   CYS   5           HA       CYS   5   0.368  -1.842  -1.076
   32    HB2  CYS   5           2HB      CYS   5   1.434  -3.408  -3.399
   33    HB3  CYS   5           1HB      CYS   5   2.084  -3.383  -1.776
   34    H    LEU   6           H        LEU   6   2.133  -0.807  -0.712
   35    HA   LEU   6           HA       LEU   6   2.935   1.170  -2.712
   36    HB2  LEU   6           2HB      LEU   6   1.977   1.948  -0.529
   37    HB3  LEU   6           1HB      LEU   6   3.295   1.144   0.292
   38    HG   LEU   6           HG       LEU   6   4.881   2.666  -0.887
   39   HD11  LEU   6          1HD1      LEU   6   2.341   4.046  -1.751
   40   HD12  LEU   6          2HD1      LEU   6   3.519   3.264  -2.805
   41   HD13  LEU   6          3HD1      LEU   6   3.965   4.711  -1.903
   42   HD21  LEU   6          3HD2      LEU   6   4.160   3.107   1.400
   43   HD22  LEU   6          1HD2      LEU   6   2.755   3.987   0.802
   44   HD23  LEU   6          2HD2      LEU   6   4.380   4.614   0.513
   45    H    CYS   7           H        CYS   7   4.874   0.695  -3.603
   46    HA   CYS   7           HA       CYS   7   6.687  -0.987  -2.048
   47    HB2  CYS   7           2HB      CYS   7   6.336  -0.838  -5.039
   48    HB3  CYS   7           1HB      CYS   7   7.569  -1.790  -4.214
   49    H    ARG   8           H        ARG   8   8.713  -0.369  -1.743
   50    HA   ARG   8           HA       ARG   8   9.757   1.906  -3.225
   51    HB2  ARG   8           2HB      ARG   8   8.628   2.722  -1.141
   52    HB3  ARG   8           1HB      ARG   8   9.752   1.745  -0.214
   53    HG2  ARG   8           2HG      ARG   8  11.617   3.061  -1.060
   54    HG3  ARG   8           1HG      ARG   8  10.502   4.034  -2.025
   55    HD2  ARG   8           2HD      ARG   8  10.587   3.811   0.979
   56    HD3  ARG   8           1HD      ARG   8  11.009   5.225   0.010
   57    HE   ARG   8           HE       ARG   8   8.463   4.705  -0.715
   58   HH11  ARG   8          1HH1      ARG   8  10.000   5.359   2.386
   59   HH12  ARG   8          2HH1      ARG   8   8.583   5.899   3.153
   60   HH21  ARG   8          1HH2      ARG   8   6.541   5.427   0.270
   61   HH22  ARG   8          2HH2      ARG   8   6.517   5.898   1.919
   62    H    ARG   9           H        ARG   9  11.530   1.057  -4.060
   63    HA   ARG   9           HA       ARG   9  13.459  -0.055  -4.370
   64    HB2  ARG   9           2HB      ARG   9  14.179   1.622  -2.676
   65    HB3  ARG   9           1HB      ARG   9  13.827   0.469  -1.403
   66    HG2  ARG   9           2HG      ARG   9  15.604  -0.998  -2.248
   67    HG3  ARG   9           1HG      ARG   9  15.944   0.164  -3.531
   68    HD2  ARG   9           2HD      ARG   9  17.496   0.392  -1.643
   69    HD3  ARG   9           1HD      ARG   9  16.533   1.844  -1.901
   70    HE   ARG   9           HE       ARG   9  15.697  -0.138   0.062
   71   HH11  ARG   9          1HH1      ARG   9  17.023   3.083  -0.597
   72   HH12  ARG   9          2HH1      ARG   9  16.557   3.739   0.895
   73   HH21  ARG   9          1HH2      ARG   9  15.081   0.799   2.156
   74   HH22  ARG   9          2HH2      ARG   9  15.477   2.421   2.491
   75    H    GLY  10           H        GLY  10  11.327  -1.661  -4.147
   76    HA2  GLY  10           2HA      GLY  10  11.134  -3.969  -4.303
   77    HA3  GLY  10           1HA      GLY  10  12.615  -4.134  -3.374
   78    H    ASP  11           H        ASP  11  11.212  -2.132  -1.402
   79    HA   ASP  11           HA       ASP  11  10.075  -4.313   0.166
   80    HB2  ASP  11           2HB      ASP  11  11.748  -2.823   1.237
   81    HB3  ASP  11           1HB      ASP  11  10.676  -1.454   0.961
   82    H    CYS  12           H        CYS  12   8.019  -4.693  -0.060
   83    HA   CYS  12           HA       CYS  12   6.285  -2.445  -0.706
   84    HB2  CYS  12           2HB      CYS  12   5.767  -5.372  -1.096
   85    HB3  CYS  12           1HB      CYS  12   4.680  -4.077  -1.531
   86    H    ARG  13           H        ARG  13   4.736  -1.912   0.424
   87    HA   ARG  13           HA       ARG  13   4.029  -3.371   2.888
   88    HB2  ARG  13           2HB      ARG  13   5.383  -1.298   3.277
   89    HB3  ARG  13           1HB      ARG  13   4.167  -0.379   2.418
   90    HG2  ARG  13           2HG      ARG  13   3.885  -0.064   4.772
   91    HG3  ARG  13           1HG      ARG  13   2.527  -1.005   4.159
   92    HD2  ARG  13           2HD      ARG  13   3.491  -3.043   5.005
   93    HD3  ARG  13           1HD      ARG  13   4.960  -2.190   5.484
   94    HE   ARG  13           HE       ARG  13   2.638  -1.080   6.660
   95   HH11  ARG  13          1HH1      ARG  13   4.912  -3.779   6.994
   96   HH12  ARG  13          2HH1      ARG  13   4.734  -3.874   8.688
   97   HH21  ARG  13          1HH2      ARG  13   2.387  -1.244   8.981
   98   HH22  ARG  13          2HH2      ARG  13   3.293  -2.404   9.838
   99    H    CYS  14           H        CYS  14   1.872  -3.965   2.722
  100    HA   CYS  14           HA       CYS  14   0.383  -2.540   0.717
  101    HB2  CYS  14           2HB      CYS  14  -0.370  -5.102   2.060
  102    HB3  CYS  14           1HB      CYS  14  -1.224  -4.356   0.725
  103    H    ILE  15           H        ILE  15  -1.362  -1.461   0.950
  104    HA   ILE  15           HA       ILE  15  -2.222  -0.878   3.705
  105    HB   ILE  15           HB       ILE  15  -1.821   1.120   1.461
  106   HG12  ILE  15          2HG1      ILE  15   0.336   0.388   2.370
  107   HG13  ILE  15          1HG1      ILE  15   0.007   2.055   2.828
  108   HG21  ILE  15          1HG2      ILE  15  -2.662   1.569   4.323
  109   HG22  ILE  15          2HG2      ILE  15  -3.678   1.743   2.890
  110   HG23  ILE  15          3HG2      ILE  15  -2.312   2.834   3.142
  111   HD11  ILE  15          3HD1      ILE  15  -0.304  -0.376   4.588
  112   HD12  ILE  15          1HD1      ILE  15  -0.652   1.290   5.064
  113   HD13  ILE  15          2HD1      ILE  15   0.996   0.808   4.653
  114    H    CYS  16           H        CYS  16  -4.363  -1.066   3.952
  115    HA   CYS  16           HA       CYS  16  -5.969  -1.173   1.554
  116    HB2  CYS  16           2HB      CYS  16  -6.699  -1.999   4.341
  117    HB3  CYS  16           1HB      CYS  16  -7.702  -2.188   2.919
  118    H    THR  17           H        THR  17  -7.480   0.062   1.074
  119    HA   THR  17           HA       THR  17  -8.100   2.360   2.753
  120    HB   THR  17           HB       THR  17  -8.113   3.575   0.485
  121    HG1  THR  17           1HG      THR  17  -7.487   1.280  -0.427
  122   HG21  THR  17          3HG2      THR  17  -6.526   4.114   2.268
  123   HG22  THR  17          1HG2      THR  17  -5.722   4.162   0.699
  124   HG23  THR  17          2HG2      THR  17  -5.495   2.777   1.768
  125    H    ARG  18           H        ARG  18 -10.233   1.999   3.150
  126    HA   ARG  18           HA       ARG  18 -12.411   1.692   2.916
  127    HB2  ARG  18           2HB      ARG  18 -12.001   3.824   1.671
  128    HB3  ARG  18           1HB      ARG  18 -11.961   2.901   0.180
  129    HG2  ARG  18           2HG      ARG  18 -14.232   2.181   0.598
  130    HG3  ARG  18           1HG      ARG  18 -14.295   3.178   2.051
  131    HD2  ARG  18           2HD      ARG  18 -15.337   4.410   0.248
  132    HD3  ARG  18           1HD      ARG  18 -13.815   5.190   0.669
  133    HE   ARG  18           HE       ARG  18 -14.023   3.342  -1.607
  134   HH11  ARG  18          1HH1      ARG  18 -13.043   6.520  -0.355
  135   HH12  ARG  18          2HH1      ARG  18 -12.553   7.112  -1.870
  136   HH21  ARG  18          1HH2      ARG  18 -13.352   4.195  -3.695
  137   HH22  ARG  18          2HH2      ARG  18 -12.761   5.778  -3.820
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -11.074   0.367   2.888
    2    HA2  GLY   1           2HA      GLY   1 -11.720  -1.839   2.599
    3    HA3  GLY   1           1HA      GLY   1 -13.068  -1.245   1.642
    4    H    PHE   2           H        PHE   2 -10.046  -0.166   0.522
    5    HA   PHE   2           HA       PHE   2  -9.965  -2.290  -1.489
    6    HB2  PHE   2           2HB      PHE   2 -10.843  -0.211  -2.441
    7    HB3  PHE   2           1HB      PHE   2  -9.436   0.659  -1.834
    8    HD1  PHE   2           1HD      PHE   2 -10.293  -2.231  -4.042
    9    HD2  PHE   2           2HD      PHE   2  -7.694   1.056  -3.299
   10    HE1  PHE   2           1HE      PHE   2  -9.151  -2.657  -6.167
   11    HE2  PHE   2           2HE      PHE   2  -6.550   0.628  -5.426
   12    HZ   PHE   2           HZ       PHE   2  -7.274  -1.229  -6.862
   13    H    CYS   3           H        CYS   3  -8.018  -3.156  -1.806
   14    HA   CYS   3           HA       CYS   3  -5.850  -2.050  -0.201
   15    HB2  CYS   3           2HB      CYS   3  -6.203  -4.856  -1.249
   16    HB3  CYS   3           1HB      CYS   3  -4.837  -4.302  -0.284
   17    H    ARG   4           H        ARG   4  -3.904  -1.613  -0.963
   18    HA   ARG   4           HA       ARG   4  -3.383  -1.905  -3.845
   19    HB2  ARG   4           2HB      ARG   4  -2.743   0.479  -2.095
   20    HB3  ARG   4           1HB      ARG   4  -2.246   0.279  -3.757
   21    HG2  ARG   4           2HG      ARG   4  -4.540   0.439  -4.490
   22    HG3  ARG   4           1HG      ARG   4  -5.086   0.536  -2.812
   23    HD2  ARG   4           2HD      ARG   4  -3.781   2.575  -2.503
   24    HD3  ARG   4           1HD      ARG   4  -3.241   2.484  -4.178
   25    HE   ARG   4           HE       ARG   4  -5.763   2.572  -4.627
   26   HH11  ARG   4          1HH1      ARG   4  -4.097   4.325  -2.036
   27   HH12  ARG   4          2HH1      ARG   4  -5.107   5.671  -2.083
   28   HH21  ARG   4          1HH2      ARG   4  -7.217   4.388  -4.654
   29   HH22  ARG   4          2HH2      ARG   4  -6.969   5.709  -3.608
   30    H    CYS   5           H        CYS   5  -1.381  -2.858  -4.090
   31    HA   CYS   5           HA       CYS   5   0.215  -2.792  -1.711
   32    HB2  CYS   5           2HB      CYS   5   0.653  -4.479  -4.143
   33    HB3  CYS   5           1HB      CYS   5   1.584  -4.553  -2.675
   34    H    LEU   6           H        LEU   6   2.075  -1.900  -1.651
   35    HA   LEU   6           HA       LEU   6   2.965  -0.397  -4.032
   36    HB2  LEU   6           2HB      LEU   6   2.848   0.632  -1.196
   37    HB3  LEU   6           1HB      LEU   6   3.529   1.490  -2.558
   38    HG   LEU   6           HG       LEU   6   0.620   0.744  -2.245
   39   HD11  LEU   6          1HD1      LEU   6   2.019   3.393  -1.960
   40   HD12  LEU   6          2HD1      LEU   6   1.301   2.439  -0.656
   41   HD13  LEU   6          3HD1      LEU   6   0.276   3.135  -1.905
   42   HD21  LEU   6          3HD2      LEU   6   2.011   2.439  -4.327
   43   HD22  LEU   6          1HD2      LEU   6   0.266   2.222  -4.173
   44   HD23  LEU   6          2HD2      LEU   6   1.284   0.850  -4.594
   45    H    CYS   7           H        CYS   7   5.154  -0.078  -4.198
   46    HA   CYS   7           HA       CYS   7   6.798  -1.415  -2.199
   47    HB2  CYS   7           2HB      CYS   7   7.148  -1.535  -5.201
   48    HB3  CYS   7           1HB      CYS   7   8.288  -2.182  -4.025
   49    H    ARG   8           H        ARG   8   8.243  -0.124  -1.368
   50    HA   ARG   8           HA       ARG   8   9.029   2.240  -2.902
   51    HB2  ARG   8           2HB      ARG   8   8.609   2.018   0.086
   52    HB3  ARG   8           1HB      ARG   8   9.214   3.444  -0.746
   53    HG2  ARG   8           2HG      ARG   8   7.093   3.644  -1.957
   54    HG3  ARG   8           1HG      ARG   8   6.499   2.201  -1.149
   55    HD2  ARG   8           2HD      ARG   8   5.610   4.194  -0.110
   56    HD3  ARG   8           1HD      ARG   8   6.680   3.357   1.012
   57    HE   ARG   8           HE       ARG   8   8.346   5.112  -0.009
   58   HH11  ARG   8          1HH1      ARG   8   4.983   5.675   1.025
   59   HH12  ARG   8          2HH1      ARG   8   5.276   7.260   1.561
   60   HH21  ARG   8          1HH2      ARG   8   8.712   7.301   0.702
   61   HH22  ARG   8          2HH2      ARG   8   7.419   8.218   1.352
   62    H    ARG   9           H        ARG   9  10.933   1.562  -3.677
   63    HA   ARG   9           HA       ARG   9  13.142   1.308  -3.761
   64    HB2  ARG   9           2HB      ARG   9  13.151   3.127  -2.068
   65    HB3  ARG   9           1HB      ARG   9  13.083   1.939  -0.785
   66    HG2  ARG   9           2HG      ARG   9  15.319   2.917  -1.094
   67    HG3  ARG   9           1HG      ARG   9  15.309   1.170  -1.351
   68    HD2  ARG   9           2HD      ARG   9  16.643   2.322  -3.044
   69    HD3  ARG   9           1HD      ARG   9  15.261   1.499  -3.746
   70    HE   ARG   9           HE       ARG   9  14.878   4.300  -3.115
   71   HH11  ARG   9          1HH1      ARG   9  15.688   1.920  -5.606
   72   HH12  ARG   9          2HH1      ARG   9  15.444   2.970  -6.908
   73   HH21  ARG   9          1HH2      ARG   9  14.508   5.762  -4.921
   74   HH22  ARG   9          2HH2      ARG   9  14.760   5.215  -6.510
   75    H    GLY  10           H        GLY  10  11.313  -0.886  -3.091
   76    HA2  GLY  10           2HA      GLY  10  12.080  -3.190  -3.308
   77    HA3  GLY  10           1HA      GLY  10  13.336  -2.806  -2.142
   78    H    ASP  11           H        ASP  11  11.112  -1.195  -0.719
   79    HA   ASP  11           HA       ASP  11  10.260  -3.410   0.944
   80    HB2  ASP  11           2HB      ASP  11  11.008  -1.453   2.132
   81    HB3  ASP  11           1HB      ASP  11   9.938  -0.410   1.201
   82    H    CYS  12           H        CYS  12   8.658  -4.526   0.031
   83    HA   CYS  12           HA       CYS  12   6.409  -3.019  -1.057
   84    HB2  CYS  12           2HB      CYS  12   6.898  -5.978  -1.129
   85    HB3  CYS  12           1HB      CYS  12   5.553  -5.146  -1.870
   86    H    ARG  13           H        ARG  13   4.582  -2.943  -0.259
   87    HA   ARG  13           HA       ARG  13   3.844  -4.478   2.104
   88    HB2  ARG  13           2HB      ARG  13   5.152  -2.521   2.905
   89    HB3  ARG  13           1HB      ARG  13   4.027  -1.465   2.077
   90    HG2  ARG  13           2HG      ARG  13   2.236  -2.192   3.521
   91    HG3  ARG  13           1HG      ARG  13   3.324  -3.327   4.323
   92    HD2  ARG  13           2HD      ARG  13   4.728  -1.488   5.038
   93    HD3  ARG  13           1HD      ARG  13   3.633  -0.337   4.262
   94    HE   ARG  13           HE       ARG  13   2.046  -1.753   5.921
   95   HH11  ARG  13          1HH1      ARG  13   5.038   0.085   6.384
   96   HH12  ARG  13          2HH1      ARG  13   4.687   0.548   7.984
   97   HH21  ARG  13          1HH2      ARG  13   1.519  -1.072   8.127
   98   HH22  ARG  13          2HH2      ARG  13   2.630  -0.132   8.992
   99    H    CYS  14           H        CYS  14   1.575  -4.608   2.268
  100    HA   CYS  14           HA       CYS  14   0.230  -3.158   0.163
  101    HB2  CYS  14           2HB      CYS  14  -0.787  -5.614   1.546
  102    HB3  CYS  14           1HB      CYS  14  -1.554  -4.803   0.204
  103    H    ILE  15           H        ILE  15  -1.214  -1.846   0.528
  104    HA   ILE  15           HA       ILE  15  -1.928  -1.279   3.359
  105    HB   ILE  15           HB       ILE  15  -1.584   0.692   1.072
  106   HG12  ILE  15          2HG1      ILE  15   0.568  -0.138   1.899
  107   HG13  ILE  15          1HG1      ILE  15   0.345   1.552   2.329
  108   HG21  ILE  15          1HG2      ILE  15  -1.907   2.464   2.726
  109   HG22  ILE  15          2HG2      ILE  15  -2.257   1.255   3.953
  110   HG23  ILE  15          3HG2      ILE  15  -3.343   1.447   2.570
  111   HD11  ILE  15          3HD1      ILE  15   0.006  -0.816   4.165
  112   HD12  ILE  15          1HD1      ILE  15  -0.277   0.867   4.610
  113   HD13  ILE  15          2HD1      ILE  15   1.340   0.330   4.166
  114    H    CYS  16           H        CYS  16  -4.088  -1.000   3.833
  115    HA   CYS  16           HA       CYS  16  -5.877  -1.042   1.522
  116    HB2  CYS  16           2HB      CYS  16  -6.455  -2.282   4.194
  117    HB3  CYS  16           1HB      CYS  16  -7.473  -2.351   2.775
  118    H    THR  17           H        THR  17  -7.352   0.350   1.393
  119    HA   THR  17           HA       THR  17  -8.174   1.981   3.606
  120    HB   THR  17           HB       THR  17  -6.217   3.185   3.016
  121    HG1  THR  17           1HG      THR  17  -7.551   5.021   1.733
  122   HG21  THR  17          3HG2      THR  17  -5.783   2.338   0.774
  123   HG22  THR  17          1HG2      THR  17  -5.795   4.099   0.745
  124   HG23  THR  17          2HG2      THR  17  -7.193   3.204   0.150
  125    H    ARG  18           H        ARG  18 -10.096   2.810   3.325
  126    HA   ARG  18           HA       ARG  18 -12.254   2.917   2.657
  127    HB2  ARG  18           2HB      ARG  18 -11.145   4.491   0.960
  128    HB3  ARG  18           1HB      ARG  18 -11.218   3.157  -0.181
  129    HG2  ARG  18           2HG      ARG  18 -13.691   3.076   0.309
  130    HG3  ARG  18           1HG      ARG  18 -13.492   4.644   1.082
  131    HD2  ARG  18           2HD      ARG  18 -14.182   4.993  -1.194
  132    HD3  ARG  18           1HD      ARG  18 -12.502   5.498  -1.027
  133    HE   ARG  18           HE       ARG  18 -12.770   2.789  -1.855
  134   HH11  ARG  18          1HH1      ARG  18 -12.835   6.096  -3.033
  135   HH12  ARG  18          2HH1      ARG  18 -12.346   5.703  -4.618
  136   HH21  ARG  18          1HH2      ARG  18 -12.107   2.218  -4.022
  137   HH22  ARG  18          2HH2      ARG  18 -11.919   3.429  -5.201