*HEADER    ANTIMICROBIAL PROTEIN                   03-JAN-13   2M2Y              
*TITLE     SOLUTION STRUCTURE OF THE ANTIMICROBIAL PEPTIDE BTD-2[3,4]            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BTD-2[3,4];                                                
*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, DISULFIDE     
*KEYWDS   2 BOND, ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.C.CONIBEAR, K.ROSENGREN, N.L.DALY, S.TROIERA HENRIQUES, D.J.CRAIK   
*REVDAT   1   27-FEB-13 2M2Y    0                                                


! H proton - H proton
assign (resid  17 and name   HN)   (resid  17 and name   HB)   2.610    0.810    0.810  
assign (resid  15 and name   HN)   (resid  15 and name   HA)   2.315    0.515    0.515  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.705    0.905    0.905  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.410    0.610    0.610  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.895    1.095    1.095  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.640    0.840    0.840  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.640    0.840    0.840  
assign (resid  12 and name   HN)   (resid  12 and name   HB)   2.735    0.935    0.935  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.690    0.890    0.890  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.690    0.890    0.890  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.505    0.705    0.705  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.535    0.735    0.735  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.765    0.965    0.965  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.550    0.750    0.750  
assign (resid   8 and name   HN)   (resid   8 and name   HB)   2.610    0.810    0.810  
assign (resid   7 and name   HN)   (resid   7 and name  HA1)   2.285    0.485    0.485  
assign (resid   7 and name   HN)   (resid   7 and name  HA2)   2.285    0.485    0.485  
assign (resid   6 and name   HN)   (resid   6 and name   HA)   2.315    0.515    0.515  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.815    1.015    1.015  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.925    1.125    1.125  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.440    0.640    0.640  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.795    0.995    0.995  
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.550    0.750    0.750  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.735    0.935    0.935  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.735    0.935    0.935  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.315    0.515    0.515  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.380    0.580    0.580  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.285    0.485    0.485  
assign (resid   4 and name   HA)   (resid  10 and name   HN)   2.735    0.935    0.935  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.145    0.345    0.345  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.720    0.920    0.920  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.845    1.045    1.045  
assign (resid   5 and name   HN)   (resid   8 and name   HN)   2.595    0.795    0.795  
assign (resid   5 and name   HN)   (resid   9 and name   HA)   2.750    0.950    0.950  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.270    0.470    0.470  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.285    0.485    0.485  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.395    0.595    0.595  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.180    0.380    0.380  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.240    0.440    0.440  
assign (resid   4 and name   HA)   (resid   9 and name   HA)   2.195    0.195    0.395   
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.705    0.905    0.905  
assign (resid   3 and name   HN)   (resid  10 and name   HN)   2.365    0.565    0.565  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.180    0.380    0.380  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.285    0.485    0.485  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   2.955    1.155    1.155  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.955    1.155    1.155  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.180    0.380    0.380  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.225    0.425    0.425  
assign (resid  13 and name  HB1)   (resid  14 and name   HN)   2.640    0.840    0.840  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   2.640    0.840    0.840  
assign (resid  14 and name   HN)   (resid  17 and name   HN)   2.470    0.670    0.670  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.255    0.455    0.455  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.535    0.735    0.735  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.300    0.500    0.500  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.505    0.705    0.705  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.750    0.950    0.950  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.225    0.425    0.425  
assign (resid  15 and name   HN)   (resid  15 and name  HD#)   4.090    2.290    2.290  
assign (resid  15 and name   HN)   (resid  15 and name  HG#)   3.655    1.855    1.855  
assign (resid  14 and name   HN)   (resid  14 and name  HD#)   4.090    2.290    2.290  
assign (resid  14 and name   HN)   (resid  14 and name  HG#)   4.090    2.290    2.290  
assign (resid  10 and name   HN)   (resid  10 and name  HD#)   4.090    2.290    2.290  
assign (resid  10 and name   HN)   (resid  10 and name  HG#)   3.985    2.185    2.185  
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   4.090    2.290    2.290  
assign (resid   6 and name   HN)   (resid   6 and name  HG#)   4.090    2.290    2.290  
assign (resid   5 and name   HN)   (resid   5 and name  HD#)   4.090    2.290    2.290  
assign (resid   5 and name   HN)   (resid   5 and name  HG1)   3.495    1.695    1.695  
assign (resid   5 and name   HN)   (resid   5 and name  HG2)   3.495    1.695    1.695  
assign (resid   5 and name   HA)   (resid   5 and name   HE)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid   6 and name   HE)   3.650    1.850    1.850  
assign (resid  10 and name   HA)   (resid  10 and name   HE)   3.650    1.850    1.850  
assign (resid  14 and name   HA)   (resid  14 and name   HE)   3.650    1.850    1.850  
assign (resid  15 and name   HA)   (resid  15 and name   HE)   3.650    1.850    1.850  
assign (resid   1 and name   HA)   (resid   1 and name   HE)   3.650    1.850    1.850  
assign (resid   1 and name   HA)   (resid   1 and name  HD#)   4.090    2.290    2.290  
assign (resid   5 and name   HA)   (resid   5 and name  HD#)   4.090    2.290    2.290  
assign (resid   6 and name   HA)   (resid   6 and name  HD#)   4.090    2.290    2.290  
assign (resid  14 and name   HA)   (resid  14 and name  HD#)   4.090    2.290    2.290  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   4.090    2.290    2.290  
assign (resid  17 and name   HN)   (resid  17 and name  HG*)   4.700    2.900    2.900  
assign (resid  12 and name   HN)   (resid  12 and name  HG*)   4.700    2.900    2.900  
assign (resid   8 and name   HN)   (resid   8 and name  HG*)   4.700    2.900    2.900  
assign (resid   3 and name   HN)   (resid   3 and name  HG*)   4.700    2.900    2.900  
assign (resid   3 and name  HG*)   (resid   4 and name   HN)   4.435    2.635    2.635  
assign (resid   8 and name  HG*)   (resid   9 and name   HN)   4.420    2.620    2.620  
assign (resid  12 and name  HG*)   (resid  13 and name   HN)   4.500    2.700    2.700  
assign (resid  17 and name  HG*)   (resid  18 and name   HN)   4.700    2.900    2.900  
assign (resid   1 and name   HA)   (resid   1 and name  HB#)   2.210    0.410    0.410  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.870    1.070    1.070  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.435    0.635    0.635  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.695    0.895    0.895  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   3.065    1.265    1.265  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.345    0.545    0.545  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.640    0.840    0.840  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.305    0.505    0.505  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.470    0.670    0.670 
assign (resid   2 and name   HA)   (resid  11 and name   HA)   2.195    0.195  100.000 
assign (resid  13 and name   HA)   (resid  18 and name   HA)   2.195    0.195  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 -101.0   56.6 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  146.1   23.3 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -121.0   22.6 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  127.2   18.4 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -120.8   39.6 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  140.0   19.8 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name SG   )    1.0  -60.0   30.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -96.5   48.5 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  138.0   40.1 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0   50.0   40.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name CB   ) (resid    6 and name CG   )    1.0  180.0   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  -92.7   32.8 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  128.3   66.9 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0 -109.2   40.8 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  141.0   32.8 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name SG   )    1.0  -60.0   30.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0 -103.7   46.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  127.0   29.5 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name CG   )    1.0  180.0   30.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0 -111.7   40.5 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  140.0   26.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -110.1   35.9 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  124.2   30.9 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -108.4   46.1 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  137.9   53.5 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -100.0   80.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name CG   )    1.0  180.0   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 -100.0   80.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0 -100.0   80.0 2
!
!Hbonds
assign (resid   8 and name   HN)   (resid   5 and name    O)   1.900    0.100    0.100  
assign (resid   8 and name    N)   (resid   5 and name    O)   2.400    0.600    0.600  
assign (resid   8 and name    O)   (resid   5 and name   HN)   1.900    0.100    0.100  
assign (resid   8 and name    O)   (resid   5 and name    N)   2.400    0.600    0.600  
assign (resid  10 and name   HN)   (resid   3 and name    O)   1.900    0.100    0.100  
assign (resid  10 and name    N)   (resid   3 and name    O)   2.400    0.600    0.600  
assign (resid  10 and name    O)   (resid   3 and name   HN)   1.900    0.100    0.100  
assign (resid  10 and name    O)   (resid   3 and name    N)   2.400    0.600    0.600  
assign (resid  17 and name   HN)   (resid  14 and name    O)   1.900    0.100    0.100  
assign (resid  17 and name    N)   (resid  14 and name    O)   2.400    0.600    0.600  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           1HT      ARG   1  -3.334   6.864   1.947
    2    H2   ARG   1           2HT      ARG   1  -3.659   5.368   1.268
    3    H3   ARG   1           3HT      ARG   1  -2.233   6.185   0.838
    4    HA   ARG   1           HA       ARG   1  -1.505   5.994   3.152
    5    HB2  ARG   1           2HB      ARG   1  -3.708   5.784   4.128
    6    HB3  ARG   1           1HB      ARG   1  -3.958   4.277   3.254
    7    HG2  ARG   1           2HG      ARG   1  -2.135   3.260   4.536
    8    HG3  ARG   1           1HG      ARG   1  -1.967   4.761   5.449
    9    HD2  ARG   1           2HD      ARG   1  -4.227   4.569   6.248
   10    HD3  ARG   1           1HD      ARG   1  -4.476   3.123   5.269
   11    HE   ARG   1           HE       ARG   1  -2.584   3.325   7.503
   12   HH11  ARG   1          1HH1      ARG   1  -4.744   1.373   5.450
   13   HH12  ARG   1          2HH1      ARG   1  -4.773   0.053   6.511
   14   HH21  ARG   1          1HH2      ARG   1  -2.538   1.444   8.869
   15   HH22  ARG   1          2HH2      ARG   1  -3.450   0.063   8.507
   16    H    CYS   2           H        CYS   2   0.251   5.099   2.123
   17    HA   CYS   2           HA       CYS   2   0.012   2.255   1.704
   18    HB2  CYS   2           2HB      CYS   2   1.815   4.203   0.255
   19    HB3  CYS   2           1HB      CYS   2   1.934   2.452   0.109
   20    H    VAL   3           H        VAL   3   1.614   0.930   2.661
   21    HA   VAL   3           HA       VAL   3   2.967   2.359   4.789
   22    HB   VAL   3           HB       VAL   3   2.190  -0.569   4.601
   23   HG11  VAL   3          1HG1      VAL   3   3.347   0.990   6.913
   24   HG12  VAL   3          2HG1      VAL   3   4.186  -0.235   5.966
   25   HG13  VAL   3          3HG1      VAL   3   2.810  -0.690   6.975
   26   HG21  VAL   3          3HG2      VAL   3   0.227   0.859   4.850
   27   HG22  VAL   3          1HG2      VAL   3   0.966   1.662   6.234
   28   HG23  VAL   3          2HG2      VAL   3   0.523  -0.043   6.337
   29    H    CYS   4           H        CYS   4   5.078   2.525   4.560
   30    HA   CYS   4           HA       CYS   4   6.386   0.580   2.814
   31    HB2  CYS   4           2HB      CYS   4   7.334   3.341   3.505
   32    HB3  CYS   4           1HB      CYS   4   8.091   2.214   2.403
   33    H    ARG   5           H        ARG   5   7.886  -0.572   3.494
   34    HA   ARG   5           HA       ARG   5   9.055  -0.088   6.134
   35    HB2  ARG   5           2HB      ARG   5   8.067  -2.730   5.039
   36    HB3  ARG   5           1HB      ARG   5   9.020  -2.557   6.509
   37    HG2  ARG   5           2HG      ARG   5   7.240  -1.278   7.550
   38    HG3  ARG   5           1HG      ARG   5   6.298  -1.338   6.061
   39    HD2  ARG   5           2HD      ARG   5   7.128  -3.720   7.712
   40    HD3  ARG   5           1HD      ARG   5   5.529  -2.981   7.707
   41    HE   ARG   5           HE       ARG   5   6.066  -3.574   5.091
   42   HH11  ARG   5          1HH1      ARG   5   5.701  -5.412   8.081
   43   HH12  ARG   5          2HH1      ARG   5   5.279  -6.868   7.305
   44   HH21  ARG   5          1HH2      ARG   5   5.450  -5.502   4.038
   45   HH22  ARG   5          2HH2      ARG   5   5.129  -6.921   4.926
   46    H    ARG   6           H        ARG   6  10.933   0.625   5.429
   47    HA   ARG   6           HA       ARG   6  13.025   0.681   4.626
   48    HB2  ARG   6           2HB      ARG   6  13.180  -1.372   6.040
   49    HB3  ARG   6           1HB      ARG   6  12.777  -2.342   4.637
   50    HG2  ARG   6           2HG      ARG   6  14.842  -1.620   3.547
   51    HG3  ARG   6           1HG      ARG   6  15.231  -0.636   4.956
   52    HD2  ARG   6           2HD      ARG   6  14.821  -3.613   4.993
   53    HD3  ARG   6           1HD      ARG   6  16.393  -2.816   4.937
   54    HE   ARG   6           HE       ARG   6  15.284  -1.717   7.101
   55   HH11  ARG   6          1HH1      ARG   6  15.591  -5.090   6.101
   56   HH12  ARG   6          2HH1      ARG   6  15.667  -5.719   7.685
   57   HH21  ARG   6          1HH2      ARG   6  15.469  -2.540   9.281
   58   HH22  ARG   6          2HH2      ARG   6  15.622  -4.220   9.548
   59    H    GLY   7           H        GLY   7  11.190   1.198   2.764
   60    HA2  GLY   7           2HA      GLY   7  11.444   1.672   0.509
   61    HA3  GLY   7           1HA      GLY   7  12.547   0.307   0.407
   62    H    VAL   8           H        VAL   8  10.398  -1.328   1.901
   63    HA   VAL   8           HA       VAL   8   9.061  -2.163  -0.535
   64    HB   VAL   8           HB       VAL   8   8.782  -3.339   2.255
   65   HG11  VAL   8          1HG1      VAL   8   8.165  -4.514  -0.459
   66   HG12  VAL   8          2HG1      VAL   8   6.978  -3.957   0.718
   67   HG13  VAL   8          3HG1      VAL   8   8.001  -5.347   1.088
   68   HG21  VAL   8          3HG2      VAL   8  10.617  -4.207   0.030
   69   HG22  VAL   8          1HG2      VAL   8  10.408  -5.032   1.571
   70   HG23  VAL   8          2HG2      VAL   8  11.121  -3.417   1.526
   71    H    CYS   9           H        CYS   9   7.397  -0.912  -1.071
   72    HA   CYS   9           HA       CYS   9   5.647   0.090   1.043
   73    HB2  CYS   9           2HB      CYS   9   5.947   0.926  -1.837
   74    HB3  CYS   9           1HB      CYS   9   4.790   1.621  -0.708
   75    H    ARG  10           H        ARG  10   3.757  -0.780   1.410
   76    HA   ARG  10           HA       ARG  10   2.438  -2.147  -0.792
   77    HB2  ARG  10           2HB      ARG  10   3.488  -3.846   0.705
   78    HB3  ARG  10           1HB      ARG  10   2.611  -3.161   2.068
   79    HG2  ARG  10           2HG      ARG  10   0.501  -3.747   1.041
   80    HG3  ARG  10           1HG      ARG  10   1.349  -4.356  -0.374
   81    HD2  ARG  10           2HD      ARG  10   2.398  -6.079   1.002
   82    HD3  ARG  10           1HD      ARG  10   1.529  -5.472   2.417
   83    HE   ARG  10           HE       ARG  10  -0.474  -5.885   0.780
   84   HH11  ARG  10          1HH1      ARG  10   2.257  -8.057   1.509
   85   HH12  ARG  10          2HH1      ARG  10   1.415  -9.468   1.094
   86   HH21  ARG  10          1HH2      ARG  10  -1.631  -7.859   0.241
   87   HH22  ARG  10          2HH2      ARG  10  -0.824  -9.354   0.368
   88    H    CYS  11           H        CYS  11   0.347  -1.502  -0.957
   89    HA   CYS  11           HA       CYS  11  -0.396   0.514   0.946
   90    HB2  CYS  11           2HB      CYS  11  -1.695  -0.227  -1.636
   91    HB3  CYS  11           1HB      CYS  11  -2.030   1.208  -0.683
   92    H    VAL  12           H        VAL  12  -1.511  -0.003   2.549
   93    HA   VAL  12           HA       VAL  12  -3.306  -2.296   2.458
   94    HB   VAL  12           HB       VAL  12  -2.623  -0.517   4.837
   95   HG11  VAL  12          1HG1      VAL  12  -4.715  -1.735   5.096
   96   HG12  VAL  12          2HG1      VAL  12  -3.491  -2.364   6.195
   97   HG13  VAL  12          3HG1      VAL  12  -3.893  -3.253   4.726
   98   HG21  VAL  12          3HG2      VAL  12  -1.110  -2.316   5.575
   99   HG22  VAL  12          1HG2      VAL  12  -0.596  -1.610   4.042
  100   HG23  VAL  12          2HG2      VAL  12  -1.410  -3.173   4.061
  101    H    CYS  13           H        CYS  13  -4.930  -1.539   1.237
  102    HA   CYS  13           HA       CYS  13  -6.011   1.081   1.676
  103    HB2  CYS  13           2HB      CYS  13  -6.895  -1.085  -0.189
  104    HB3  CYS  13           1HB      CYS  13  -7.258   0.622  -0.283
  105    H    ARG  14           H        ARG  14  -8.256   1.330   1.988
  106    HA   ARG  14           HA       ARG  14  -9.458  -0.792   3.593
  107    HB2  ARG  14           2HB      ARG  14 -10.199   2.134   3.302
  108    HB3  ARG  14           1HB      ARG  14 -11.045   0.986   4.326
  109    HG2  ARG  14           2HG      ARG  14  -9.008   0.714   5.671
  110    HG3  ARG  14           1HG      ARG  14  -8.181   1.885   4.639
  111    HD2  ARG  14           2HD      ARG  14  -9.834   3.581   5.263
  112    HD3  ARG  14           1HD      ARG  14 -10.645   2.395   6.283
  113    HE   ARG  14           HE       ARG  14  -7.950   2.620   7.046
  114   HH11  ARG  14          1HH1      ARG  14 -11.021   4.372   7.265
  115   HH12  ARG  14          2HH1      ARG  14 -10.571   5.244   8.656
  116   HH21  ARG  14          1HH2      ARG  14  -7.348   3.823   8.950
  117   HH22  ARG  14          2HH2      ARG  14  -8.440   4.944   9.632
  118    H    ARG  15           H        ARG  15  -9.984  -2.064   1.864
  119    HA   ARG  15           HA       ARG  15 -10.793  -2.757  -0.090
  120    HB2  ARG  15           2HB      ARG  15 -12.384  -3.191   1.637
  121    HB3  ARG  15           1HB      ARG  15 -13.117  -1.624   1.374
  122    HG2  ARG  15           2HG      ARG  15 -14.510  -3.396   0.382
  123    HG3  ARG  15           1HG      ARG  15 -13.790  -2.446  -0.921
  124    HD2  ARG  15           2HD      ARG  15 -13.646  -4.848  -1.394
  125    HD3  ARG  15           1HD      ARG  15 -12.041  -4.146  -1.194
  126    HE   ARG  15           HE       ARG  15 -12.960  -5.107   1.268
  127   HH11  ARG  15          1HH1      ARG  15 -11.702  -6.389  -1.807
  128   HH12  ARG  15          2HH1      ARG  15 -11.177  -7.841  -1.096
  129   HH21  ARG  15          1HH2      ARG  15 -12.247  -7.057   2.175
  130   HH22  ARG  15          2HH2      ARG  15 -11.487  -8.246   1.214
  131    H    GLY  16           H        GLY  16  -9.590  -0.896  -1.160
  132    HA2  GLY  16           2HA      GLY  16  -9.845   0.097  -3.323
  133    HA3  GLY  16           1HA      GLY  16 -11.522   0.449  -2.930
  134    H    VAL  17           H        VAL  17 -10.513   1.448  -0.214
  135    HA   VAL  17           HA       VAL  17  -9.843   4.111  -1.149
  136    HB   VAL  17           HB       VAL  17 -10.604   3.195   1.652
  137   HG11  VAL  17          1HG1      VAL  17  -9.287   5.248   1.669
  138   HG12  VAL  17          2HG1      VAL  17 -10.958   5.587   2.121
  139   HG13  VAL  17          3HG1      VAL  17 -10.384   5.975   0.498
  140   HG21  VAL  17          3HG2      VAL  17 -12.799   4.212   1.223
  141   HG22  VAL  17          1HG2      VAL  17 -12.468   2.888   0.110
  142   HG23  VAL  17          2HG2      VAL  17 -12.312   4.556  -0.436
  143    H    CYS  18           H        CYS  18  -7.823   3.675  -1.690
  144    HA   CYS  18           HA       CYS  18  -5.883   2.671   0.187
  145    HB2  CYS  18           2HB      CYS  18  -5.538   3.829  -2.573
  146    HB3  CYS  18           1HB      CYS  18  -4.245   3.097  -1.626
  Start of MODEL    2
    1    H1   ARG   1           1HT      ARG   1  -3.765   3.074   2.505
    2    H2   ARG   1           2HT      ARG   1  -3.521   3.766   1.011
    3    H3   ARG   1           3HT      ARG   1  -4.450   4.586   2.131
    4    HA   ARG   1           HA       ARG   1  -2.205   5.502   1.889
    5    HB2  ARG   1           2HB      ARG   1  -2.642   4.009   4.482
    6    HB3  ARG   1           1HB      ARG   1  -1.392   5.219   4.254
    7    HG2  ARG   1           2HG      ARG   1  -4.350   5.706   3.986
    8    HG3  ARG   1           1HG      ARG   1  -3.371   6.094   5.408
    9    HD2  ARG   1           2HD      ARG   1  -2.011   7.600   4.052
   10    HD3  ARG   1           1HD      ARG   1  -2.979   7.216   2.635
   11    HE   ARG   1           HE       ARG   1  -4.665   8.128   4.645
   12   HH11  ARG   1          1HH1      ARG   1  -2.066   9.348   2.546
   13   HH12  ARG   1          2HH1      ARG   1  -2.649  10.938   2.495
   14   HH21  ARG   1          1HH2      ARG   1  -5.472  10.371   4.571
   15   HH22  ARG   1          2HH2      ARG   1  -4.630  11.527   3.658
   16    H    CYS   2           H        CYS   2  -0.138   5.123   1.343
   17    HA   CYS   2           HA       CYS   2   0.661   2.335   1.340
   18    HB2  CYS   2           2HB      CYS   2   1.717   4.631  -0.322
   19    HB3  CYS   2           1HB      CYS   2   2.276   2.966  -0.400
   20    H    VAL   3           H        VAL   3   2.236   1.593   2.508
   21    HA   VAL   3           HA       VAL   3   3.656   3.560   4.153
   22    HB   VAL   3           HB       VAL   3   2.992   0.674   4.802
   23   HG11  VAL   3          1HG1      VAL   3   4.996   1.447   5.919
   24   HG12  VAL   3          2HG1      VAL   3   3.686   1.247   7.082
   25   HG13  VAL   3          3HG1      VAL   3   4.134   2.860   6.529
   26   HG21  VAL   3          3HG2      VAL   3   0.945   1.998   4.747
   27   HG22  VAL   3          1HG2      VAL   3   1.679   3.193   5.814
   28   HG23  VAL   3          2HG2      VAL   3   1.357   1.566   6.412
   29    H    CYS   4           H        CYS   4   5.770   3.625   3.737
   30    HA   CYS   4           HA       CYS   4   6.947   1.300   2.421
   31    HB2  CYS   4           2HB      CYS   4   8.096   4.039   2.667
   32    HB3  CYS   4           1HB      CYS   4   8.724   2.740   1.676
   33    H    ARG   5           H        ARG   5   8.060   0.104   3.464
   34    HA   ARG   5           HA       ARG   5   9.622   0.927   5.760
   35    HB2  ARG   5           2HB      ARG   5   7.394   0.392   6.663
   36    HB3  ARG   5           1HB      ARG   5   7.479  -1.190   5.914
   37    HG2  ARG   5           2HG      ARG   5   9.209  -1.882   7.389
   38    HG3  ARG   5           1HG      ARG   5   9.426  -0.236   7.999
   39    HD2  ARG   5           2HD      ARG   5   6.940  -1.922   8.306
   40    HD3  ARG   5           1HD      ARG   5   8.125  -1.584   9.572
   41    HE   ARG   5           HE       ARG   5   7.405   0.855   8.668
   42   HH11  ARG   5          1HH1      ARG   5   5.555  -1.848  10.043
   43   HH12  ARG   5          2HH1      ARG   5   4.298  -0.864  10.623
   44   HH21  ARG   5          1HH2      ARG   5   5.708   2.168   9.422
   45   HH22  ARG   5          2HH2      ARG   5   4.395   1.504  10.290
   46    H    ARG   6           H        ARG   6  11.458  -0.237   5.857
   47    HA   ARG   6           HA       ARG   6  13.083  -1.714   5.372
   48    HB2  ARG   6           2HB      ARG   6  11.415  -3.303   6.377
   49    HB3  ARG   6           1HB      ARG   6  10.802  -3.624   4.771
   50    HG2  ARG   6           2HG      ARG   6  13.021  -4.565   4.170
   51    HG3  ARG   6           1HG      ARG   6  13.524  -4.326   5.850
   52    HD2  ARG   6           2HD      ARG   6  12.767  -6.618   5.489
   53    HD3  ARG   6           1HD      ARG   6  11.697  -5.770   6.604
   54    HE   ARG   6           HE       ARG   6  11.131  -6.246   3.760
   55   HH11  ARG   6          1HH1      ARG   6   9.958  -5.902   7.098
   56   HH12  ARG   6          2HH1      ARG   6   8.337  -6.244   6.711
   57   HH21  ARG   6          1HH2      ARG   6   8.858  -6.689   3.256
   58   HH22  ARG   6          2HH2      ARG   6   7.695  -6.707   4.499
   59    H    GLY   7           H        GLY   7  11.962  -0.005   3.396
   60    HA2  GLY   7           2HA      GLY   7  12.693   0.559   1.281
   61    HA3  GLY   7           1HA      GLY   7  13.367  -1.057   1.162
   62    H    VAL   8           H        VAL   8  10.190  -1.497   2.067
   63    HA   VAL   8           HA       VAL   8   9.383  -1.600  -0.741
   64    HB   VAL   8           HB       VAL   8   9.754  -3.884   0.222
   65   HG11  VAL   8          1HG1      VAL   8   9.178  -3.525   2.526
   66   HG12  VAL   8          2HG1      VAL   8   8.187  -4.820   1.854
   67   HG13  VAL   8          3HG1      VAL   8   7.501  -3.211   2.086
   68   HG21  VAL   8          3HG2      VAL   8   8.196  -3.648  -1.611
   69   HG22  VAL   8          1HG2      VAL   8   6.885  -3.284  -0.490
   70   HG23  VAL   8          2HG2      VAL   8   7.619  -4.888  -0.499
   71    H    CYS   9           H        CYS   9   7.350  -0.873  -1.247
   72    HA   CYS   9           HA       CYS   9   5.958   0.493   0.926
   73    HB2  CYS   9           2HB      CYS   9   5.813   0.983  -2.057
   74    HB3  CYS   9           1HB      CYS   9   4.972   1.901  -0.811
   75    H    ARG  10           H        ARG  10   4.276  -0.428   1.689
   76    HA   ARG  10           HA       ARG  10   2.807  -2.414   0.076
   77    HB2  ARG  10           2HB      ARG  10   3.955  -3.122   2.221
   78    HB3  ARG  10           1HB      ARG  10   2.917  -2.004   3.077
   79    HG2  ARG  10           2HG      ARG  10   2.020  -4.180   3.388
   80    HG3  ARG  10           1HG      ARG  10   0.957  -3.352   2.258
   81    HD2  ARG  10           2HD      ARG  10   3.179  -5.146   1.330
   82    HD3  ARG  10           1HD      ARG  10   1.596  -5.784   1.743
   83    HE   ARG  10           HE       ARG  10   0.774  -4.146  -0.004
   84   HH11  ARG  10          1HH1      ARG  10   3.911  -5.800  -0.259
   85   HH12  ARG  10          2HH1      ARG  10   3.929  -5.757  -1.962
   86   HH21  ARG  10          1HH2      ARG  10   0.787  -4.181  -2.320
   87   HH22  ARG  10          2HH2      ARG  10   2.096  -4.853  -3.162
   88    H    CYS  11           H        CYS  11   0.749  -1.679  -0.542
   89    HA   CYS  11           HA       CYS  11  -0.139   0.675   0.837
   90    HB2  CYS  11           2HB      CYS  11  -1.121  -0.510  -1.717
   91    HB3  CYS  11           1HB      CYS  11  -1.680   0.983  -0.989
   92    H    VAL  12           H        VAL  12  -1.394   0.628   2.290
   93    HA   VAL  12           HA       VAL  12  -3.079  -1.678   2.798
   94    HB   VAL  12           HB       VAL  12  -2.557   0.786   4.497
   95   HG11  VAL  12          1HG1      VAL  12  -3.802  -1.867   5.217
   96   HG12  VAL  12          2HG1      VAL  12  -4.652  -0.334   5.060
   97   HG13  VAL  12          3HG1      VAL  12  -3.458  -0.554   6.339
   98   HG21  VAL  12          3HG2      VAL  12  -1.054  -0.641   5.817
   99   HG22  VAL  12          1HG2      VAL  12  -0.496  -0.458   4.156
  100   HG23  VAL  12          2HG2      VAL  12  -1.289  -1.950   4.654
  101    H    CYS  13           H        CYS  13  -5.082  -1.587   2.124
  102    HA   CYS  13           HA       CYS  13  -6.497   0.936   1.989
  103    HB2  CYS  13           2HB      CYS  13  -5.545   0.744  -0.184
  104    HB3  CYS  13           1HB      CYS  13  -6.109  -0.939  -0.350
  105    H    ARG  14           H        ARG  14  -8.677   0.556   1.591
  106    HA   ARG  14           HA       ARG  14  -9.630  -2.037   2.592
  107    HB2  ARG  14           2HB      ARG  14 -10.571   0.686   3.491
  108    HB3  ARG  14           1HB      ARG  14 -11.490  -0.780   3.791
  109    HG2  ARG  14           2HG      ARG  14  -9.638  -1.684   5.078
  110    HG3  ARG  14           1HG      ARG  14  -8.683  -0.237   4.748
  111    HD2  ARG  14           2HD      ARG  14 -10.302   1.117   5.934
  112    HD3  ARG  14           1HD      ARG  14 -11.320  -0.296   6.211
  113    HE   ARG  14           HE       ARG  14  -9.048  -1.074   7.309
  114   HH11  ARG  14          1HH1      ARG  14 -10.695   2.035   7.605
  115   HH12  ARG  14          2HH1      ARG  14 -10.293   2.310   9.221
  116   HH21  ARG  14          1HH2      ARG  14  -8.437  -0.720   9.584
  117   HH22  ARG  14          2HH2      ARG  14  -8.923   0.695  10.374
  118    H    ARG  15           H        ARG  15  -9.861  -2.545   0.441
  119    HA   ARG  15           HA       ARG  15 -10.769  -2.739  -1.552
  120    HB2  ARG  15           2HB      ARG  15 -12.059  -4.011  -0.011
  121    HB3  ARG  15           1HB      ARG  15 -13.065  -2.627   0.335
  122    HG2  ARG  15           2HG      ARG  15 -14.151  -4.382  -1.118
  123    HG3  ARG  15           1HG      ARG  15 -14.048  -2.816  -1.927
  124    HD2  ARG  15           2HD      ARG  15 -13.394  -4.796  -3.336
  125    HD3  ARG  15           1HD      ARG  15 -12.198  -3.509  -3.234
  126    HE   ARG  15           HE       ARG  15 -11.857  -5.663  -1.326
  127   HH11  ARG  15          1HH1      ARG  15 -11.038  -4.479  -4.538
  128   HH12  ARG  15          2HH1      ARG  15  -9.566  -5.323  -4.639
  129   HH21  ARG  15          1HH2      ARG  15  -9.823  -6.785  -1.430
  130   HH22  ARG  15          2HH2      ARG  15  -8.835  -6.654  -2.805
  131    H    GLY  16           H        GLY  16  -9.981  -0.272  -1.566
  132    HA2  GLY  16           2HA      GLY  16 -10.601   1.245  -3.376
  133    HA3  GLY  16           1HA      GLY  16 -12.241   1.189  -2.745
  134    H    VAL  17           H        VAL  17 -11.326   1.334   0.057
  135    HA   VAL  17           HA       VAL  17 -10.934   4.208   0.124
  136    HB   VAL  17           HB       VAL  17 -11.255   2.314   2.486
  137   HG11  VAL  17          1HG1      VAL  17 -10.289   4.463   3.088
  138   HG12  VAL  17          2HG1      VAL  17 -11.936   4.331   3.717
  139   HG13  VAL  17          3HG1      VAL  17 -11.619   5.302   2.284
  140   HG21  VAL  17          3HG2      VAL  17 -13.218   2.147   1.044
  141   HG22  VAL  17          1HG2      VAL  17 -13.389   3.901   1.054
  142   HG23  VAL  17          2HG2      VAL  17 -13.619   2.986   2.542
  143    H    CYS  18           H        CYS  18  -8.937   4.092  -0.760
  144    HA   CYS  18           HA       CYS  18  -6.775   2.830   0.706
  145    HB2  CYS  18           2HB      CYS  18  -6.738   4.302  -1.940
  146    HB3  CYS  18           1HB      CYS  18  -5.416   3.376  -1.256
  Start of MODEL    3
    1    H1   ARG   1           1HT      ARG   1  -4.207   3.155   2.608
    2    H2   ARG   1           2HT      ARG   1  -4.964   3.390   4.113
    3    H3   ARG   1           3HT      ARG   1  -4.418   1.872   3.670
    4    HA   ARG   1           HA       ARG   1  -2.634   4.179   4.024
    5    HB2  ARG   1           2HB      ARG   1  -3.454   2.007   5.923
    6    HB3  ARG   1           1HB      ARG   1  -1.834   2.662   6.008
    7    HG2  ARG   1           2HG      ARG   1  -4.387   4.234   6.340
    8    HG3  ARG   1           1HG      ARG   1  -3.314   3.700   7.634
    9    HD2  ARG   1           2HD      ARG   1  -1.464   4.970   6.500
   10    HD3  ARG   1           1HD      ARG   1  -2.687   5.638   5.428
   11    HE   ARG   1           HE       ARG   1  -3.381   6.035   8.127
   12   HH11  ARG   1          1HH1      ARG   1  -1.283   7.258   5.560
   13   HH12  ARG   1          2HH1      ARG   1  -1.066   8.787   6.251
   14   HH21  ARG   1          1HH2      ARG   1  -3.100   8.151   9.095
   15   HH22  ARG   1          2HH2      ARG   1  -2.107   9.299   8.331
   16    H    CYS   2           H        CYS   2  -1.204   3.798   2.367
   17    HA   CYS   2           HA       CYS   2   0.033   1.147   2.394
   18    HB2  CYS   2           2HB      CYS   2   0.237   3.345   0.315
   19    HB3  CYS   2           1HB      CYS   2   0.987   1.766   0.210
   20    H    VAL   3           H        VAL   3   2.008   1.023   3.404
   21    HA   VAL   3           HA       VAL   3   3.431   3.554   3.800
   22    HB   VAL   3           HB       VAL   3   3.339   1.174   5.691
   23   HG11  VAL   3          1HG1      VAL   3   5.466   2.337   5.782
   24   HG12  VAL   3          2HG1      VAL   3   4.539   2.629   7.259
   25   HG13  VAL   3          3HG1      VAL   3   4.637   3.875   6.018
   26   HG21  VAL   3          3HG2      VAL   3   2.064   3.898   5.986
   27   HG22  VAL   3          1HG2      VAL   3   2.095   2.641   7.223
   28   HG23  VAL   3          2HG2      VAL   3   1.212   2.379   5.717
   29    H    CYS   4           H        CYS   4   5.334   3.531   2.791
   30    HA   CYS   4           HA       CYS   4   6.558   0.931   2.280
   31    HB2  CYS   4           2HB      CYS   4   7.065   3.495   0.835
   32    HB3  CYS   4           1HB      CYS   4   7.667   1.912   0.400
   33    H    ARG   5           H        ARG   5   8.203   0.507   3.240
   34    HA   ARG   5           HA       ARG   5   9.913   2.582   4.424
   35    HB2  ARG   5           2HB      ARG   5   8.591   1.467   6.176
   36    HB3  ARG   5           1HB      ARG   5   9.180  -0.097   5.623
   37    HG2  ARG   5           2HG      ARG   5  11.463   0.575   6.191
   38    HG3  ARG   5           1HG      ARG   5  10.839   2.117   6.776
   39    HD2  ARG   5           2HD      ARG   5   9.519   0.939   8.463
   40    HD3  ARG   5           1HD      ARG   5  10.135  -0.605   7.867
   41    HE   ARG   5           HE       ARG   5  12.316   0.974   8.418
   42   HH11  ARG   5          1HH1      ARG   5   9.707  -0.520  10.252
   43   HH12  ARG   5          2HH1      ARG   5  10.600  -0.629  11.713
   44   HH21  ARG   5          1HH2      ARG   5  13.513   0.864  10.413
   45   HH22  ARG   5          2HH2      ARG   5  12.788   0.172  11.800
   46    H    ARG   6           H        ARG   6  11.775   2.534   3.440
   47    HA   ARG   6           HA       ARG   6  13.647   1.923   2.369
   48    HB2  ARG   6           2HB      ARG   6  13.957   0.696   4.557
   49    HB3  ARG   6           1HB      ARG   6  13.282  -0.732   3.802
   50    HG2  ARG   6           2HG      ARG   6  15.143  -0.744   2.195
   51    HG3  ARG   6           1HG      ARG   6  15.835   0.657   3.022
   52    HD2  ARG   6           2HD      ARG   6  16.113  -0.625   5.041
   53    HD3  ARG   6           1HD      ARG   6  15.258  -1.986   4.324
   54    HE   ARG   6           HE       ARG   6  17.895  -1.006   3.454
   55   HH11  ARG   6          1HH1      ARG   6  15.586  -3.676   3.895
   56   HH12  ARG   6          2HH1      ARG   6  16.621  -4.854   3.258
   57   HH21  ARG   6          1HH2      ARG   6  19.304  -2.613   2.620
   58   HH22  ARG   6          2HH2      ARG   6  18.818  -4.241   2.495
   59    H    GLY   7           H        GLY   7  11.260   1.650   0.952
   60    HA2  GLY   7           2HA      GLY   7  10.888   1.052  -1.244
   61    HA3  GLY   7           1HA      GLY   7  12.138  -0.170  -1.068
   62    H    VAL   8           H        VAL   8  10.522  -0.900   1.527
   63    HA   VAL   8           HA       VAL   8   8.932  -2.919   0.164
   64    HB   VAL   8           HB       VAL   8   9.510  -2.625   3.121
   65   HG11  VAL   8          1HG1      VAL   8   7.565  -4.010   2.660
   66   HG12  VAL   8          2HG1      VAL   8   8.899  -4.999   3.257
   67   HG13  VAL   8          3HG1      VAL   8   8.508  -4.990   1.537
   68   HG21  VAL   8          3HG2      VAL   8  11.597  -2.878   1.949
   69   HG22  VAL   8          1HG2      VAL   8  10.962  -4.250   1.039
   70   HG23  VAL   8          2HG2      VAL   8  11.215  -4.385   2.781
   71    H    CYS   9           H        CYS   9   6.876  -2.504  -0.183
   72    HA   CYS   9           HA       CYS   9   5.514  -0.530   1.474
   73    HB2  CYS   9           2HB      CYS   9   4.774  -1.660  -1.220
   74    HB3  CYS   9           1HB      CYS   9   3.867  -0.438  -0.337
   75    H    ARG  10           H        ARG  10   4.091  -1.056   2.876
   76    HA   ARG  10           HA       ARG  10   2.697  -3.612   2.642
   77    HB2  ARG  10           2HB      ARG  10   4.210  -3.647   4.593
   78    HB3  ARG  10           1HB      ARG  10   3.576  -2.101   5.128
   79    HG2  ARG  10           2HG      ARG  10   2.702  -3.978   6.448
   80    HG3  ARG  10           1HG      ARG  10   1.420  -3.108   5.606
   81    HD2  ARG  10           2HD      ARG  10   1.420  -4.827   3.860
   82    HD3  ARG  10           1HD      ARG  10   2.675  -5.712   4.726
   83    HE   ARG  10           HE       ARG  10   0.888  -5.650   6.600
   84   HH11  ARG  10          1HH1      ARG  10   0.254  -6.121   3.138
   85   HH12  ARG  10          2HH1      ARG  10  -1.076  -7.139   3.381
   86   HH21  ARG  10          1HH2      ARG  10  -0.989  -6.998   6.924
   87   HH22  ARG  10          2HH2      ARG  10  -1.830  -7.623   5.582
   88    H    CYS  11           H        CYS  11   0.593  -3.256   2.264
   89    HA   CYS  11           HA       CYS  11  -0.447  -0.680   3.132
   90    HB2  CYS  11           2HB      CYS  11   0.211  -0.476   0.782
   91    HB3  CYS  11           1HB      CYS  11  -0.811  -1.854   0.375
   92    H    VAL  12           H        VAL  12  -2.484  -0.598   3.671
   93    HA   VAL  12           HA       VAL  12  -4.174  -2.935   3.297
   94    HB   VAL  12           HB       VAL  12  -3.606  -2.780   5.715
   95   HG11  VAL  12          1HG1      VAL  12  -4.697   0.017   5.604
   96   HG12  VAL  12          2HG1      VAL  12  -3.022  -0.451   5.893
   97   HG13  VAL  12          3HG1      VAL  12  -4.265  -0.848   7.081
   98   HG21  VAL  12          3HG2      VAL  12  -6.436  -1.902   5.153
   99   HG22  VAL  12          1HG2      VAL  12  -5.871  -2.610   6.666
  100   HG23  VAL  12          2HG2      VAL  12  -5.834  -3.560   5.180
  101    H    CYS  13           H        CYS  13  -6.056  -2.419   2.271
  102    HA   CYS  13           HA       CYS  13  -6.160   0.373   1.500
  103    HB2  CYS  13           2HB      CYS  13  -5.738  -1.148  -0.273
  104    HB3  CYS  13           1HB      CYS  13  -7.224  -2.061   0.031
  105    H    ARG  14           H        ARG  14  -8.320   1.114   0.861
  106    HA   ARG  14           HA       ARG  14 -10.342   0.188   2.757
  107    HB2  ARG  14           2HB      ARG  14  -9.129   2.175   3.664
  108    HB3  ARG  14           1HB      ARG  14  -9.620   3.081   2.246
  109    HG2  ARG  14           2HG      ARG  14 -10.979   3.590   4.231
  110    HG3  ARG  14           1HG      ARG  14 -11.947   2.922   2.914
  111    HD2  ARG  14           2HD      ARG  14 -12.488   1.975   5.163
  112    HD3  ARG  14           1HD      ARG  14 -12.013   0.779   3.962
  113    HE   ARG  14           HE       ARG  14  -9.915   1.791   5.674
  114   HH11  ARG  14          1HH1      ARG  14 -12.320  -0.753   5.174
  115   HH12  ARG  14          2HH1      ARG  14 -11.467  -1.935   6.056
  116   HH21  ARG  14          1HH2      ARG  14  -8.710   0.110   6.860
  117   HH22  ARG  14          2HH2      ARG  14  -9.382  -1.457   6.984
  118    H    ARG  15           H        ARG  15 -11.160  -0.864   0.949
  119    HA   ARG  15           HA       ARG  15 -12.101  -1.217  -1.044
  120    HB2  ARG  15           2HB      ARG  15 -13.819  -0.894   0.588
  121    HB3  ARG  15           1HB      ARG  15 -13.790   0.829   0.306
  122    HG2  ARG  15           2HG      ARG  15 -15.757  -0.157  -0.774
  123    HG3  ARG  15           1HG      ARG  15 -14.624   0.343  -2.035
  124    HD2  ARG  15           2HD      ARG  15 -13.759  -1.983  -2.100
  125    HD3  ARG  15           1HD      ARG  15 -15.010  -2.437  -0.945
  126    HE   ARG  15           HE       ARG  15 -15.686  -1.245  -3.520
  127   HH11  ARG  15          1HH1      ARG  15 -16.009  -3.929  -1.231
  128   HH12  ARG  15          2HH1      ARG  15 -17.105  -4.807  -2.188
  129   HH21  ARG  15          1HH2      ARG  15 -17.130  -2.485  -4.887
  130   HH22  ARG  15          2HH2      ARG  15 -17.742  -3.965  -4.326
  131    H    GLY  16           H        GLY  16 -10.127   0.017  -2.010
  132    HA2  GLY  16           2HA      GLY  16  -9.955   0.936  -4.227
  133    HA3  GLY  16           1HA      GLY  16 -11.275   2.022  -3.820
  134    H    VAL  17           H        VAL  17 -10.144   2.767  -1.201
  135    HA   VAL  17           HA       VAL  17  -8.095   4.441  -2.348
  136    HB   VAL  17           HB       VAL  17  -9.975   5.819  -1.578
  137   HG11  VAL  17          1HG1      VAL  17  -9.548   4.746   1.179
  138   HG12  VAL  17          2HG1      VAL  17 -10.890   4.344   0.112
  139   HG13  VAL  17          3HG1      VAL  17 -10.695   5.998   0.696
  140   HG21  VAL  17          3HG2      VAL  17  -7.802   6.826  -1.395
  141   HG22  VAL  17          1HG2      VAL  17  -7.576   6.129   0.209
  142   HG23  VAL  17          2HG2      VAL  17  -8.815   7.356  -0.051
  143    H    CYS  18           H        CYS  18  -6.545   3.221  -2.194
  144    HA   CYS  18           HA       CYS  18  -5.836   1.870   0.248
  145    HB2  CYS  18           2HB      CYS  18  -4.272   1.940  -2.336
  146    HB3  CYS  18           1HB      CYS  18  -4.199   0.733  -1.063
  Start of MODEL    4
    1    H1   ARG   1           1HT      ARG   1  -3.655   4.107   3.492
    2    H2   ARG   1           2HT      ARG   1  -4.030   4.053   1.837
    3    H3   ARG   1           3HT      ARG   1  -4.203   5.511   2.695
    4    HA   ARG   1           HA       ARG   1  -2.242   5.448   1.292
    5    HB2  ARG   1           2HB      ARG   1  -2.137   6.687   3.462
    6    HB3  ARG   1           1HB      ARG   1  -1.541   5.227   4.240
    7    HG2  ARG   1           2HG      ARG   1   0.394   5.290   2.624
    8    HG3  ARG   1           1HG      ARG   1  -0.176   6.888   2.155
    9    HD2  ARG   1           2HD      ARG   1   0.658   6.059   4.933
   10    HD3  ARG   1           1HD      ARG   1   1.617   7.011   3.804
   11    HE   ARG   1           HE       ARG   1  -0.813   8.295   4.131
   12   HH11  ARG   1          1HH1      ARG   1   2.058   7.562   6.049
   13   HH12  ARG   1          2HH1      ARG   1   1.881   8.867   7.125
   14   HH21  ARG   1          1HH2      ARG   1  -1.074  10.134   5.580
   15   HH22  ARG   1          2HH2      ARG   1   0.063  10.370   6.826
   16    H    CYS   2           H        CYS   2  -0.638   4.195   0.400
   17    HA   CYS   2           HA       CYS   2  -0.237   1.490   1.299
   18    HB2  CYS   2           2HB      CYS   2   1.364   3.153  -0.663
   19    HB3  CYS   2           1HB      CYS   2   1.381   1.404  -0.538
   20    H    VAL   3           H        VAL   3   1.760   0.784   2.465
   21    HA   VAL   3           HA       VAL   3   3.040   3.122   3.634
   22    HB   VAL   3           HB       VAL   3   1.549   2.109   5.281
   23   HG11  VAL   3          1HG1      VAL   3   1.419  -0.167   4.480
   24   HG12  VAL   3          2HG1      VAL   3   1.902  -0.148   6.177
   25   HG13  VAL   3          3HG1      VAL   3   3.105  -0.443   4.923
   26   HG21  VAL   3          3HG2      VAL   3   4.453   1.586   5.923
   27   HG22  VAL   3          1HG2      VAL   3   3.155   1.718   7.111
   28   HG23  VAL   3          2HG2      VAL   3   3.591   3.113   6.124
   29    H    CYS   4           H        CYS   4   5.124   3.242   3.429
   30    HA   CYS   4           HA       CYS   4   6.530   0.822   2.602
   31    HB2  CYS   4           2HB      CYS   4   7.417   3.674   2.279
   32    HB3  CYS   4           1HB      CYS   4   8.181   2.251   1.596
   33    H    ARG   5           H        ARG   5   7.996   0.046   3.739
   34    HA   ARG   5           HA       ARG   5   9.041   1.591   5.972
   35    HB2  ARG   5           2HB      ARG   5   9.034  -0.462   7.371
   36    HB3  ARG   5           1HB      ARG   5   7.425   0.071   6.934
   37    HG2  ARG   5           2HG      ARG   5   7.350  -1.686   5.198
   38    HG3  ARG   5           1HG      ARG   5   8.946  -2.229   5.717
   39    HD2  ARG   5           2HD      ARG   5   6.450  -2.158   7.407
   40    HD3  ARG   5           1HD      ARG   5   7.201  -3.601   6.718
   41    HE   ARG   5           HE       ARG   5   9.137  -2.356   8.208
   42   HH11  ARG   5          1HH1      ARG   5   5.973  -3.777   8.816
   43   HH12  ARG   5          2HH1      ARG   5   6.311  -4.237  10.426
   44   HH21  ARG   5          1HH2      ARG   5   9.628  -2.984  10.439
   45   HH22  ARG   5          2HH2      ARG   5   8.462  -3.768  11.384
   46    H    ARG   6           H        ARG   6  10.994   2.023   5.390
   47    HA   ARG   6           HA       ARG   6  13.115   1.893   4.657
   48    HB2  ARG   6           2HB      ARG   6  13.214   0.418   6.680
   49    HB3  ARG   6           1HB      ARG   6  12.928  -0.965   5.648
   50    HG2  ARG   6           2HG      ARG   6  15.067  -0.683   4.575
   51    HG3  ARG   6           1HG      ARG   6  15.327   0.846   5.418
   52    HD2  ARG   6           2HD      ARG   6  15.040  -1.848   6.741
   53    HD3  ARG   6           1HD      ARG   6  16.560  -0.983   6.499
   54    HE   ARG   6           HE       ARG   6  15.101   0.824   7.766
   55   HH11  ARG   6          1HH1      ARG   6  15.754  -2.570   8.605
   56   HH12  ARG   6          2HH1      ARG   6  15.572  -2.319  10.278
   57   HH21  ARG   6          1HH2      ARG   6  14.844   1.138  10.071
   58   HH22  ARG   6          2HH2      ARG   6  15.068  -0.180  11.125
   59    H    GLY   7           H        GLY   7  11.387   1.771   2.685
   60    HA2  GLY   7           2HA      GLY   7  11.684   1.579   0.406
   61    HA3  GLY   7           1HA      GLY   7  12.855   0.308   0.716
   62    H    VAL   8           H        VAL   8  10.650  -0.908   2.554
   63    HA   VAL   8           HA       VAL   8   9.529  -2.520   0.422
   64    HB   VAL   8           HB       VAL   8   9.163  -2.810   3.420
   65   HG11  VAL   8          1HG1      VAL   8   8.495  -5.109   2.901
   66   HG12  VAL   8          2HG1      VAL   8   8.664  -4.772   1.179
   67   HG13  VAL   8          3HG1      VAL   8   7.427  -3.939   2.121
   68   HG21  VAL   8          3HG2      VAL   8  11.123  -4.182   1.581
   69   HG22  VAL   8          1HG2      VAL   8  10.861  -4.580   3.279
   70   HG23  VAL   8          2HG2      VAL   8  11.509  -2.999   2.828
   71    H    CYS   9           H        CYS   9   7.868  -1.604  -0.560
   72    HA   CYS   9           HA       CYS   9   5.915  -0.119   0.995
   73    HB2  CYS   9           2HB      CYS   9   6.290  -0.405  -1.985
   74    HB3  CYS   9           1HB      CYS   9   5.005   0.531  -1.228
   75    H    ARG  10           H        ARG  10   4.152  -0.941   1.707
   76    HA   ARG  10           HA       ARG  10   3.141  -3.380   0.478
   77    HB2  ARG  10           2HB      ARG  10   4.189  -3.878   2.628
   78    HB3  ARG  10           1HB      ARG  10   3.316  -2.562   3.392
   79    HG2  ARG  10           2HG      ARG  10   2.377  -4.719   3.981
   80    HG3  ARG  10           1HG      ARG  10   1.215  -3.762   3.058
   81    HD2  ARG  10           2HD      ARG  10   1.179  -6.061   2.316
   82    HD3  ARG  10           1HD      ARG  10   1.833  -5.030   1.047
   83    HE   ARG  10           HE       ARG  10   3.881  -6.146   2.682
   84   HH11  ARG  10          1HH1      ARG  10   1.738  -6.853  -0.056
   85   HH12  ARG  10          2HH1      ARG  10   2.733  -8.089  -0.675
   86   HH21  ARG  10          1HH2      ARG  10   5.210  -7.845   1.830
   87   HH22  ARG  10          2HH2      ARG  10   4.741  -8.671   0.408
   88    H    CYS  11           H        CYS  11   1.169  -2.972  -0.336
   89    HA   CYS  11           HA       CYS  11  -0.305  -0.791   0.915
   90    HB2  CYS  11           2HB      CYS  11   0.668  -0.306  -1.383
   91    HB3  CYS  11           1HB      CYS  11  -0.479  -1.513  -1.980
   92    H    VAL  12           H        VAL  12  -2.289  -1.168   1.373
   93    HA   VAL  12           HA       VAL  12  -3.689  -3.429   0.325
   94    HB   VAL  12           HB       VAL  12  -2.619  -4.389   2.336
   95   HG11  VAL  12          1HG1      VAL  12  -3.083  -3.560   4.598
   96   HG12  VAL  12          2HG1      VAL  12  -3.910  -2.165   3.901
   97   HG13  VAL  12          3HG1      VAL  12  -2.183  -2.398   3.625
   98   HG21  VAL  12          3HG2      VAL  12  -5.563  -3.874   2.769
   99   HG22  VAL  12          1HG2      VAL  12  -4.617  -5.136   3.561
  100   HG23  VAL  12          2HG2      VAL  12  -4.845  -5.172   1.811
  101    H    CYS  13           H        CYS  13  -5.668  -2.788  -0.159
  102    HA   CYS  13           HA       CYS  13  -6.397  -0.129   0.565
  103    HB2  CYS  13           2HB      CYS  13  -7.885  -2.124  -1.076
  104    HB3  CYS  13           1HB      CYS  13  -8.193  -0.426  -0.922
  105    H    ARG  14           H        ARG  14  -8.163   0.371   1.499
  106    HA   ARG  14           HA       ARG  14  -9.800  -1.683   2.704
  107    HB2  ARG  14           2HB      ARG  14  -9.921  -0.407   4.853
  108    HB3  ARG  14           1HB      ARG  14  -8.320  -1.019   4.496
  109    HG2  ARG  14           2HG      ARG  14  -7.771   1.306   3.646
  110    HG3  ARG  14           1HG      ARG  14  -9.311   1.802   4.357
  111    HD2  ARG  14           2HD      ARG  14  -7.008   0.524   5.811
  112    HD3  ARG  14           1HD      ARG  14  -7.470   2.225   5.886
  113    HE   ARG  14           HE       ARG  14  -9.701   1.084   6.721
  114   HH11  ARG  14          1HH1      ARG  14  -6.363   0.318   7.623
  115   HH12  ARG  14          2HH1      ARG  14  -6.777  -0.152   9.208
  116   HH21  ARG  14          1HH2      ARG  14 -10.234   0.436   8.925
  117   HH22  ARG  14          2HH2      ARG  14  -8.970  -0.060   9.949
  118    H    ARG  15           H        ARG  15 -11.176  -1.413   1.115
  119    HA   ARG  15           HA       ARG  15 -12.735  -0.602  -0.194
  120    HB2  ARG  15           2HB      ARG  15 -13.714  -1.497   1.779
  121    HB3  ARG  15           1HB      ARG  15 -13.611   0.068   2.537
  122    HG2  ARG  15           2HG      ARG  15 -15.339   0.933   1.097
  123    HG3  ARG  15           1HG      ARG  15 -15.241  -0.489   0.047
  124    HD2  ARG  15           2HD      ARG  15 -16.200  -0.407   2.900
  125    HD3  ARG  15           1HD      ARG  15 -17.179  -0.697   1.451
  126    HE   ARG  15           HE       ARG  15 -15.167  -2.563   1.411
  127   HH11  ARG  15          1HH1      ARG  15 -17.975  -1.879   3.451
  128   HH12  ARG  15          2HH1      ARG  15 -18.042  -3.453   4.088
  129   HH21  ARG  15          1HH2      ARG  15 -15.248  -4.691   2.296
  130   HH22  ARG  15          2HH2      ARG  15 -16.456  -5.114   3.401
  131    H    GLY  16           H        GLY  16 -11.379   1.006  -1.119
  132    HA2  GLY  16           2HA      GLY  16 -11.851   3.050  -2.274
  133    HA3  GLY  16           1HA      GLY  16 -12.650   3.639  -0.822
  134    H    VAL  17           H        VAL  17 -10.325   2.465   0.755
  135    HA   VAL  17           HA       VAL  17  -8.595   4.762   0.364
  136    HB   VAL  17           HB       VAL  17  -8.931   2.981   2.784
  137   HG11  VAL  17          1HG1      VAL  17  -7.369   5.537   2.431
  138   HG12  VAL  17          2HG1      VAL  17  -6.695   3.925   2.681
  139   HG13  VAL  17          3HG1      VAL  17  -7.619   4.705   3.967
  140   HG21  VAL  17          3HG2      VAL  17  -9.897   5.802   2.342
  141   HG22  VAL  17          1HG2      VAL  17 -10.082   4.852   3.814
  142   HG23  VAL  17          2HG2      VAL  17 -10.911   4.361   2.333
  143    H    CYS  18           H        CYS  18  -7.423   3.867  -1.239
  144    HA   CYS  18           HA       CYS  18  -5.666   1.652  -0.501
  145    HB2  CYS  18           2HB      CYS  18  -5.994   3.092  -3.160
  146    HB3  CYS  18           1HB      CYS  18  -4.856   1.783  -2.872
  Start of MODEL    5
    1    H1   ARG   1           1HT      ARG   1  -2.002   6.690   2.188
    2    H2   ARG   1           2HT      ARG   1  -0.753   6.999   3.250
    3    H3   ARG   1           3HT      ARG   1  -2.272   7.636   3.552
    4    HA   ARG   1           HA       ARG   1  -1.819   5.764   4.980
    5    HB2  ARG   1           2HB      ARG   1  -3.812   4.374   4.411
    6    HB3  ARG   1           1HB      ARG   1  -4.148   6.097   4.426
    7    HG2  ARG   1           2HG      ARG   1  -4.057   6.133   1.970
    8    HG3  ARG   1           1HG      ARG   1  -3.708   4.408   1.961
    9    HD2  ARG   1           2HD      ARG   1  -6.068   4.858   1.495
   10    HD3  ARG   1           1HD      ARG   1  -5.860   3.943   2.988
   11    HE   ARG   1           HE       ARG   1  -6.405   5.811   4.227
   12   HH11  ARG   1          1HH1      ARG   1  -6.671   6.499   0.737
   13   HH12  ARG   1          2HH1      ARG   1  -7.763   7.789   0.949
   14   HH21  ARG   1          1HH2      ARG   1  -7.885   7.611   4.471
   15   HH22  ARG   1          2HH2      ARG   1  -8.448   8.446   3.089
   16    H    CYS   2           H        CYS   2   0.414   5.112   4.146
   17    HA   CYS   2           HA       CYS   2   0.099   2.461   3.185
   18    HB2  CYS   2           2HB      CYS   2   0.342   3.920   1.148
   19    HB3  CYS   2           1HB      CYS   2   1.942   4.366   1.723
   20    H    VAL   3           H        VAL   3   1.926   1.068   3.654
   21    HA   VAL   3           HA       VAL   3   3.736   2.270   5.613
   22    HB   VAL   3           HB       VAL   3   2.882  -0.631   5.355
   23   HG11  VAL   3          1HG1      VAL   3   3.913  -0.905   7.563
   24   HG12  VAL   3          2HG1      VAL   3   4.424   0.783   7.522
   25   HG13  VAL   3          3HG1      VAL   3   5.071  -0.359   6.347
   26   HG21  VAL   3          3HG2      VAL   3   1.934   1.439   7.344
   27   HG22  VAL   3          1HG2      VAL   3   1.554  -0.283   7.403
   28   HG23  VAL   3          2HG2      VAL   3   0.968   0.708   6.065
   29    H    CYS   4           H        CYS   4   5.583   2.637   4.588
   30    HA   CYS   4           HA       CYS   4   6.522   0.620   2.691
   31    HB2  CYS   4           2HB      CYS   4   7.403   3.461   2.936
   32    HB3  CYS   4           1HB      CYS   4   7.920   2.311   1.728
   33    H    ARG   5           H        ARG   5   7.998  -0.501   3.296
   34    HA   ARG   5           HA       ARG   5   9.886   0.407   5.355
   35    HB2  ARG   5           2HB      ARG   5   8.653  -2.355   5.212
   36    HB3  ARG   5           1HB      ARG   5   9.910  -1.857   6.331
   37    HG2  ARG   5           2HG      ARG   5   8.350  -0.228   7.320
   38    HG3  ARG   5           1HG      ARG   5   7.093  -0.797   6.222
   39    HD2  ARG   5           2HD      ARG   5   8.511  -2.420   8.334
   40    HD3  ARG   5           1HD      ARG   5   6.855  -1.827   8.408
   41    HE   ARG   5           HE       ARG   5   6.671  -3.238   6.243
   42   HH11  ARG   5          1HH1      ARG   5   8.427  -4.104   9.180
   43   HH12  ARG   5          2HH1      ARG   5   8.212  -5.786   9.045
   44   HH21  ARG   5          1HH2      ARG   5   6.428  -5.591   5.954
   45   HH22  ARG   5          2HH2      ARG   5   7.059  -6.656   7.110
   46    H    ARG   6           H        ARG   6  11.655   0.661   4.258
   47    HA   ARG   6           HA       ARG   6  13.556   0.233   3.145
   48    HB2  ARG   6           2HB      ARG   6  13.561  -1.718   4.746
   49    HB3  ARG   6           1HB      ARG   6  12.822  -2.688   3.492
   50    HG2  ARG   6           2HG      ARG   6  14.806  -2.512   2.123
   51    HG3  ARG   6           1HG      ARG   6  15.535  -1.390   3.277
   52    HD2  ARG   6           2HD      ARG   6  14.771  -4.256   3.844
   53    HD3  ARG   6           1HD      ARG   6  16.407  -3.667   3.545
   54    HE   ARG   6           HE       ARG   6  15.225  -2.223   5.661
   55   HH11  ARG   6          1HH1      ARG   6  16.577  -5.454   5.040
   56   HH12  ARG   6          2HH1      ARG   6  17.078  -5.674   6.660
   57   HH21  ARG   6          1HH2      ARG   6  15.890  -2.546   7.825
   58   HH22  ARG   6          2HH2      ARG   6  16.653  -3.981   8.305
   59    H    GLY   7           H        GLY   7  11.197   0.688   1.723
   60    HA2  GLY   7           2HA      GLY   7  11.161   1.102  -0.605
   61    HA3  GLY   7           1HA      GLY   7  12.000  -0.434  -0.802
   62    H    VAL   8           H        VAL   8  10.090  -1.639   1.210
   63    HA   VAL   8           HA       VAL   8   8.197  -2.427  -0.825
   64    HB   VAL   8           HB       VAL   8   8.515  -3.506   1.986
   65   HG11  VAL   8          1HG1      VAL   8   7.103  -4.620  -0.433
   66   HG12  VAL   8          2HG1      VAL   8   6.345  -4.000   1.029
   67   HG13  VAL   8          3HG1      VAL   8   7.331  -5.466   1.098
   68   HG21  VAL   8          3HG2      VAL   8   9.680  -4.533  -0.610
   69   HG22  VAL   8          1HG2      VAL   8   9.757  -5.359   0.945
   70   HG23  VAL   8          2HG2      VAL   8  10.581  -3.817   0.727
   71    H    CYS   9           H        CYS   9   6.475  -1.201  -1.055
   72    HA   CYS   9           HA       CYS   9   5.250   0.042   1.280
   73    HB2  CYS   9           2HB      CYS   9   4.872   0.533  -1.672
   74    HB3  CYS   9           1HB      CYS   9   3.953   1.334  -0.406
   75    H    ARG  10           H        ARG  10   3.653  -0.929   2.220
   76    HA   ARG  10           HA       ARG  10   1.810  -2.439   0.553
   77    HB2  ARG  10           2HB      ARG  10   2.994  -3.873   2.214
   78    HB3  ARG  10           1HB      ARG  10   2.391  -2.836   3.498
   79    HG2  ARG  10           2HG      ARG  10   0.118  -3.463   3.028
   80    HG3  ARG  10           1HG      ARG  10   0.631  -4.377   1.607
   81    HD2  ARG  10           2HD      ARG  10   0.198  -5.849   3.486
   82    HD3  ARG  10           1HD      ARG  10   1.897  -5.885   3.012
   83    HE   ARG  10           HE       ARG  10   0.941  -4.265   5.255
   84   HH11  ARG  10          1HH1      ARG  10   3.078  -6.773   3.968
   85   HH12  ARG  10          2HH1      ARG  10   4.028  -6.916   5.362
   86   HH21  ARG  10          1HH2      ARG  10   2.272  -4.457   7.238
   87   HH22  ARG  10          2HH2      ARG  10   3.534  -5.604   7.253
   88    H    CYS  11           H        CYS  11   0.155  -1.139   0.213
   89    HA   CYS  11           HA       CYS  11  -0.133   0.955   2.065
   90    HB2  CYS  11           2HB      CYS  11  -1.496   0.566  -0.578
   91    HB3  CYS  11           1HB      CYS  11  -1.555   2.024   0.403
   92    H    VAL  12           H        VAL  12  -1.737   1.220   3.484
   93    HA   VAL  12           HA       VAL  12  -3.531  -0.998   3.714
   94    HB   VAL  12           HB       VAL  12  -2.441  -0.349   5.782
   95   HG11  VAL  12          1HG1      VAL  12  -2.772   1.808   6.884
   96   HG12  VAL  12          2HG1      VAL  12  -3.651   2.384   5.471
   97   HG13  VAL  12          3HG1      VAL  12  -1.944   1.972   5.336
   98   HG21  VAL  12          3HG2      VAL  12  -4.373   0.007   7.271
   99   HG22  VAL  12          1HG2      VAL  12  -4.699  -1.207   6.034
  100   HG23  VAL  12          2HG2      VAL  12  -5.364   0.416   5.871
  101    H    CYS  13           H        CYS  13  -4.894  -0.824   2.161
  102    HA   CYS  13           HA       CYS  13  -6.520   1.569   1.891
  103    HB2  CYS  13           2HB      CYS  13  -6.258  -0.857   0.144
  104    HB3  CYS  13           1HB      CYS  13  -7.079   0.644  -0.230
  105    H    ARG  14           H        ARG  14  -8.806   1.078   1.585
  106    HA   ARG  14           HA       ARG  14  -9.549  -1.462   2.810
  107    HB2  ARG  14           2HB      ARG  14  -9.967   0.582   4.242
  108    HB3  ARG  14           1HB      ARG  14 -11.102   1.122   3.018
  109    HG2  ARG  14           2HG      ARG  14 -12.218   0.056   4.926
  110    HG3  ARG  14           1HG      ARG  14 -12.500  -0.800   3.405
  111    HD2  ARG  14           2HD      ARG  14 -12.005  -2.305   5.344
  112    HD3  ARG  14           1HD      ARG  14 -10.905  -2.508   3.990
  113    HE   ARG  14           HE       ARG  14 -10.073  -0.702   6.116
  114   HH11  ARG  14          1HH1      ARG  14  -9.873  -4.007   4.856
  115   HH12  ARG  14          2HH1      ARG  14  -8.371  -4.341   5.571
  116   HH21  ARG  14          1HH2      ARG  14  -8.034  -1.156   7.091
  117   HH22  ARG  14          2HH2      ARG  14  -7.280  -2.687   6.873
  118    H    ARG  15           H        ARG  15 -10.148  -2.665   1.195
  119    HA   ARG  15           HA       ARG  15 -10.744  -3.326  -0.833
  120    HB2  ARG  15           2HB      ARG  15 -12.643  -3.692   0.511
  121    HB3  ARG  15           1HB      ARG  15 -13.149  -2.022   0.320
  122    HG2  ARG  15           2HG      ARG  15 -13.537  -2.516  -2.106
  123    HG3  ARG  15           1HG      ARG  15 -13.089  -4.193  -1.801
  124    HD2  ARG  15           2HD      ARG  15 -14.975  -4.466  -0.338
  125    HD3  ARG  15           1HD      ARG  15 -15.395  -2.758  -0.492
  126    HE   ARG  15           HE       ARG  15 -15.294  -3.785  -3.035
  127   HH11  ARG  15          1HH1      ARG  15 -17.229  -4.361  -0.127
  128   HH12  ARG  15          2HH1      ARG  15 -18.641  -4.799  -0.959
  129   HH21  ARG  15          1HH2      ARG  15 -17.258  -4.436  -4.204
  130   HH22  ARG  15          2HH2      ARG  15 -18.651  -4.854  -3.340
  131    H    GLY  16           H        GLY  16  -9.244  -1.722  -1.796
  132    HA2  GLY  16           2HA      GLY  16  -8.944  -0.694  -3.867
  133    HA3  GLY  16           1HA      GLY  16 -10.671  -0.417  -3.950
  134    H    VAL  17           H        VAL  17 -10.415   0.833  -1.111
  135    HA   VAL  17           HA       VAL  17  -9.991   3.471  -2.123
  136    HB   VAL  17           HB       VAL  17 -10.767   2.562   0.677
  137   HG11  VAL  17          1HG1      VAL  17  -9.709   4.774   0.730
  138   HG12  VAL  17          2HG1      VAL  17 -11.437   4.892   1.062
  139   HG13  VAL  17          3HG1      VAL  17 -10.816   5.338  -0.525
  140   HG21  VAL  17          3HG2      VAL  17 -12.455   2.017  -1.008
  141   HG22  VAL  17          1HG2      VAL  17 -12.444   3.690  -1.563
  142   HG23  VAL  17          2HG2      VAL  17 -13.027   3.301   0.057
  143    H    CYS  18           H        CYS  18  -7.942   3.295  -2.619
  144    HA   CYS  18           HA       CYS  18  -5.937   3.353  -0.487
  145    HB2  CYS  18           2HB      CYS  18  -5.635   3.281  -3.498
  146    HB3  CYS  18           1HB      CYS  18  -4.284   3.388  -2.379
  Start of MODEL    6
    1    H1   ARG   1           1HT      ARG   1  -3.673   2.215   1.469
    2    H2   ARG   1           2HT      ARG   1  -3.022   3.582   0.757
    3    H3   ARG   1           3HT      ARG   1  -4.422   3.729   1.669
    4    HA   ARG   1           HA       ARG   1  -2.548   4.508   2.962
    5    HB2  ARG   1           2HB      ARG   1  -3.152   1.665   3.852
    6    HB3  ARG   1           1HB      ARG   1  -2.669   3.007   4.872
    7    HG2  ARG   1           2HG      ARG   1  -5.286   2.879   3.374
    8    HG3  ARG   1           1HG      ARG   1  -5.069   2.378   5.043
    9    HD2  ARG   1           2HD      ARG   1  -4.482   5.146   4.018
   10    HD3  ARG   1           1HD      ARG   1  -6.008   4.670   4.759
   11    HE   ARG   1           HE       ARG   1  -3.731   4.065   6.384
   12   HH11  ARG   1          1HH1      ARG   1  -6.014   6.621   5.523
   13   HH12  ARG   1          2HH1      ARG   1  -5.851   7.457   6.988
   14   HH21  ARG   1          1HH2      ARG   1  -3.518   5.198   8.395
   15   HH22  ARG   1          2HH2      ARG   1  -4.393   6.641   8.662
   16    H    CYS   2           H        CYS   2  -0.684   4.590   1.647
   17    HA   CYS   2           HA       CYS   2   0.819   2.126   1.228
   18    HB2  CYS   2           2HB      CYS   2   1.349   4.908   0.185
   19    HB3  CYS   2           1HB      CYS   2   2.108   3.419  -0.354
   20    H    VAL   3           H        VAL   3   2.576   1.568   2.426
   21    HA   VAL   3           HA       VAL   3   3.905   3.708   3.907
   22    HB   VAL   3           HB       VAL   3   3.256   0.945   5.009
   23   HG11  VAL   3          1HG1      VAL   3   5.372   1.771   5.842
   24   HG12  VAL   3          2HG1      VAL   3   4.167   1.805   7.133
   25   HG13  VAL   3          3HG1      VAL   3   4.621   3.294   6.314
   26   HG21  VAL   3          3HG2      VAL   3   1.239   2.316   4.991
   27   HG22  VAL   3          1HG2      VAL   3   2.099   3.624   5.808
   28   HG23  VAL   3          2HG2      VAL   3   1.817   2.099   6.644
   29    H    CYS   4           H        CYS   4   6.068   3.632   3.598
   30    HA   CYS   4           HA       CYS   4   7.189   1.122   2.608
   31    HB2  CYS   4           2HB      CYS   4   8.247   3.903   2.226
   32    HB3  CYS   4           1HB      CYS   4   8.990   2.440   1.630
   33    H    ARG   5           H        ARG   5   8.594   0.235   3.749
   34    HA   ARG   5           HA       ARG   5   9.955   1.677   5.895
   35    HB2  ARG   5           2HB      ARG   5   7.892   0.697   6.839
   36    HB3  ARG   5           1HB      ARG   5   8.419  -0.887   6.301
   37    HG2  ARG   5           2HG      ARG   5  10.291  -0.833   7.814
   38    HG3  ARG   5           1HG      ARG   5   9.905   0.821   8.284
   39    HD2  ARG   5           2HD      ARG   5   8.165  -1.600   8.711
   40    HD3  ARG   5           1HD      ARG   5   9.103  -0.764   9.948
   41    HE   ARG   5           HE       ARG   5   7.426   1.081   8.689
   42   HH11  ARG   5          1HH1      ARG   5   7.193  -1.675  10.910
   43   HH12  ARG   5          2HH1      ARG   5   5.732  -1.177  11.606
   44   HH21  ARG   5          1HH2      ARG   5   5.374   1.773   9.673
   45   HH22  ARG   5          2HH2      ARG   5   4.697   0.818  10.907
   46    H    ARG   6           H        ARG   6  11.974   1.374   5.505
   47    HA   ARG   6           HA       ARG   6  13.962   0.563   4.940
   48    HB2  ARG   6           2HB      ARG   6  13.437  -0.689   7.072
   49    HB3  ARG   6           1HB      ARG   6  12.952  -2.049   6.079
   50    HG2  ARG   6           2HG      ARG   6  15.165  -2.415   5.314
   51    HG3  ARG   6           1HG      ARG   6  15.709  -0.852   5.924
   52    HD2  ARG   6           2HD      ARG   6  14.757  -3.162   7.622
   53    HD3  ARG   6           1HD      ARG   6  16.441  -2.687   7.376
   54    HE   ARG   6           HE       ARG   6  15.402  -0.420   8.248
   55   HH11  ARG   6          1HH1      ARG   6  15.212  -3.701   9.596
   56   HH12  ARG   6          2HH1      ARG   6  14.884  -3.192  11.181
   57   HH21  ARG   6          1HH2      ARG   6  14.954   0.291  10.456
   58   HH22  ARG   6          2HH2      ARG   6  14.718  -0.875  11.677
   59    H    GLY   7           H        GLY   7  12.385   0.702   2.802
   60    HA2  GLY   7           2HA      GLY   7  12.983   0.153   0.603
   61    HA3  GLY   7           1HA      GLY   7  13.559  -1.384   1.223
   62    H    VAL   8           H        VAL   8  10.902  -1.598   2.761
   63    HA   VAL   8           HA       VAL   8   9.541  -2.934   0.554
   64    HB   VAL   8           HB       VAL   8   9.059  -3.098   3.546
   65   HG11  VAL   8          1HG1      VAL   8   7.871  -4.751   1.310
   66   HG12  VAL   8          2HG1      VAL   8   7.010  -3.564   2.290
   67   HG13  VAL   8          3HG1      VAL   8   7.640  -5.032   3.037
   68   HG21  VAL   8          3HG2      VAL   8  10.040  -5.354   3.328
   69   HG22  VAL   8          1HG2      VAL   8  11.185  -4.071   2.923
   70   HG23  VAL   8          2HG2      VAL   8  10.409  -5.002   1.642
   71    H    CYS   9           H        CYS   9   7.950  -1.919  -0.435
   72    HA   CYS   9           HA       CYS   9   6.406   0.067   1.053
   73    HB2  CYS   9           2HB      CYS   9   6.842  -0.255  -1.915
   74    HB3  CYS   9           1HB      CYS   9   5.690   0.875  -1.206
   75    H    ARG  10           H        ARG  10   4.548  -0.591   1.747
   76    HA   ARG  10           HA       ARG  10   3.078  -2.525   0.140
   77    HB2  ARG  10           2HB      ARG  10   3.927  -3.737   2.036
   78    HB3  ARG  10           1HB      ARG  10   3.486  -2.429   3.114
   79    HG2  ARG  10           2HG      ARG  10   1.227  -2.965   3.068
   80    HG3  ARG  10           1HG      ARG  10   1.386  -3.916   1.594
   81    HD2  ARG  10           2HD      ARG  10   1.084  -5.245   3.716
   82    HD3  ARG  10           1HD      ARG  10   2.480  -5.680   2.736
   83    HE   ARG  10           HE       ARG  10   3.216  -3.790   4.693
   84   HH11  ARG  10          1HH1      ARG  10   2.186  -7.168   4.500
   85   HH12  ARG  10          2HH1      ARG  10   3.242  -7.708   5.717
   86   HH21  ARG  10          1HH2      ARG  10   4.648  -4.525   6.386
   87   HH22  ARG  10          2HH2      ARG  10   4.698  -6.177   6.796
   88    H    CYS  11           H        CYS  11   1.180  -1.803  -0.456
   89    HA   CYS  11           HA       CYS  11   0.084   0.336   1.170
   90    HB2  CYS  11           2HB      CYS  11   0.983   1.084  -1.014
   91    HB3  CYS  11           1HB      CYS  11  -0.243   0.050  -1.784
   92    H    VAL  12           H        VAL  12  -1.485  -0.113   2.062
   93    HA   VAL  12           HA       VAL  12  -3.121  -2.420   1.300
   94    HB   VAL  12           HB       VAL  12  -3.149  -0.864   3.911
   95   HG11  VAL  12          1HG1      VAL  12  -4.417  -2.772   4.802
   96   HG12  VAL  12          2HG1      VAL  12  -4.423  -3.511   3.202
   97   HG13  VAL  12          3HG1      VAL  12  -5.268  -1.987   3.469
   98   HG21  VAL  12          3HG2      VAL  12  -1.013  -2.001   3.603
   99   HG22  VAL  12          1HG2      VAL  12  -1.849  -3.518   3.279
  100   HG23  VAL  12          2HG2      VAL  12  -1.948  -2.781   4.879
  101    H    CYS  13           H        CYS  13  -5.017  -2.071   0.339
  102    HA   CYS  13           HA       CYS  13  -6.304   0.473   0.794
  103    HB2  CYS  13           2HB      CYS  13  -6.388  -1.406  -1.548
  104    HB3  CYS  13           1HB      CYS  13  -7.467  -0.060  -1.330
  105    H    ARG  14           H        ARG  14  -8.573   0.287   0.675
  106    HA   ARG  14           HA       ARG  14  -9.769  -2.257   1.562
  107    HB2  ARG  14           2HB      ARG  14 -10.480   0.524   2.587
  108    HB3  ARG  14           1HB      ARG  14 -11.152  -0.996   3.138
  109    HG2  ARG  14           2HG      ARG  14  -8.294  -0.126   3.548
  110    HG3  ARG  14           1HG      ARG  14  -9.574   0.012   4.747
  111    HD2  ARG  14           2HD      ARG  14  -9.820  -2.412   4.787
  112    HD3  ARG  14           1HD      ARG  14  -8.602  -2.575   3.523
  113    HE   ARG  14           HE       ARG  14  -7.336  -1.172   5.451
  114   HH11  ARG  14          1HH1      ARG  14  -9.012  -4.282   5.491
  115   HH12  ARG  14          2HH1      ARG  14  -8.062  -4.931   6.746
  116   HH21  ARG  14          1HH2      ARG  14  -6.048  -2.061   7.179
  117   HH22  ARG  14          2HH2      ARG  14  -6.366  -3.631   7.747
  118    H    ARG  15           H        ARG  15 -12.146  -2.157   0.934
  119    HA   ARG  15           HA       ARG  15 -12.342  -0.893  -1.619
  120    HB2  ARG  15           2HB      ARG  15 -13.141  -3.245  -1.226
  121    HB3  ARG  15           1HB      ARG  15 -14.438  -2.582  -0.237
  122    HG2  ARG  15           2HG      ARG  15 -15.263  -1.324  -2.161
  123    HG3  ARG  15           1HG      ARG  15 -13.963  -1.996  -3.144
  124    HD2  ARG  15           2HD      ARG  15 -14.843  -4.237  -2.750
  125    HD3  ARG  15           1HD      ARG  15 -16.150  -3.545  -1.789
  126    HE   ARG  15           HE       ARG  15 -16.110  -2.302  -4.273
  127   HH11  ARG  15          1HH1      ARG  15 -16.826  -5.464  -2.892
  128   HH12  ARG  15          2HH1      ARG  15 -17.991  -5.894  -4.042
  129   HH21  ARG  15          1HH2      ARG  15 -17.711  -2.892  -5.913
  130   HH22  ARG  15          2HH2      ARG  15 -18.487  -4.398  -5.821
  131    H    GLY  16           H        GLY  16 -12.124   0.959  -0.495
  132    HA2  GLY  16           2HA      GLY  16 -14.203   2.773  -0.665
  133    HA3  GLY  16           1HA      GLY  16 -14.234   2.229   1.006
  134    H    VAL  17           H        VAL  17 -11.145   1.833   0.666
  135    HA   VAL  17           HA       VAL  17 -10.317   4.619   0.927
  136    HB   VAL  17           HB       VAL  17  -9.554   2.401   2.868
  137   HG11  VAL  17          1HG1      VAL  17  -8.848   5.318   2.868
  138   HG12  VAL  17          2HG1      VAL  17  -7.756   3.971   2.544
  139   HG13  VAL  17          3HG1      VAL  17  -8.454   4.176   4.151
  140   HG21  VAL  17          3HG2      VAL  17 -11.845   3.130   3.273
  141   HG22  VAL  17          1HG2      VAL  17 -11.303   4.804   3.358
  142   HG23  VAL  17          2HG2      VAL  17 -10.779   3.643   4.583
  143    H    CYS  18           H        CYS  18  -9.166   4.485  -1.025
  144    HA   CYS  18           HA       CYS  18  -6.716   2.976  -0.814
  145    HB2  CYS  18           2HB      CYS  18  -8.360   1.540  -2.127
  146    HB3  CYS  18           1HB      CYS  18  -8.414   2.821  -3.322
  Start of MODEL    7
    1    H1   ARG   1           1HT      ARG   1  -3.725   5.948   2.408
    2    H2   ARG   1           2HT      ARG   1  -3.745   4.272   2.145
    3    H3   ARG   1           3HT      ARG   1  -2.583   5.231   1.401
    4    HA   ARG   1           HA       ARG   1  -1.543   5.722   3.405
    5    HB2  ARG   1           2HB      ARG   1  -3.681   3.975   4.659
    6    HB3  ARG   1           1HB      ARG   1  -2.260   4.584   5.499
    7    HG2  ARG   1           2HG      ARG   1  -3.005   6.882   5.048
    8    HG3  ARG   1           1HG      ARG   1  -4.465   6.230   4.307
    9    HD2  ARG   1           2HD      ARG   1  -5.077   5.191   6.427
   10    HD3  ARG   1           1HD      ARG   1  -3.606   5.826   7.167
   11    HE   ARG   1           HE       ARG   1  -5.407   7.716   5.916
   12   HH11  ARG   1          1HH1      ARG   1  -4.158   6.385   8.942
   13   HH12  ARG   1          2HH1      ARG   1  -4.738   7.660   9.908
   14   HH21  ARG   1          1HH2      ARG   1  -6.166   9.455   7.196
   15   HH22  ARG   1          2HH2      ARG   1  -5.946   9.459   8.883
   16    H    CYS   2           H        CYS   2   0.268   4.523   3.774
   17    HA   CYS   2           HA       CYS   2   0.212   1.727   3.108
   18    HB2  CYS   2           2HB      CYS   2   0.376   2.879   0.928
   19    HB3  CYS   2           1HB      CYS   2   1.799   3.737   1.491
   20    H    VAL   3           H        VAL   3   2.099   0.628   3.818
   21    HA   VAL   3           HA       VAL   3   3.718   2.170   5.709
   22    HB   VAL   3           HB       VAL   3   3.319  -0.832   5.490
   23   HG11  VAL   3          1HG1      VAL   3   4.572   0.805   7.686
   24   HG12  VAL   3          2HG1      VAL   3   5.432  -0.197   6.523
   25   HG13  VAL   3          3HG1      VAL   3   4.344  -0.944   7.696
   26   HG21  VAL   3          3HG2      VAL   3   1.230   0.248   6.122
   27   HG22  VAL   3          1HG2      VAL   3   2.060   1.109   7.417
   28   HG23  VAL   3          2HG2      VAL   3   1.908  -0.646   7.487
   29    H    CYS   4           H        CYS   4   5.688   2.663   4.864
   30    HA   CYS   4           HA       CYS   4   6.872   0.624   3.127
   31    HB2  CYS   4           2HB      CYS   4   7.298   3.593   2.882
   32    HB3  CYS   4           1HB      CYS   4   8.071   2.353   1.927
   33    H    ARG   5           H        ARG   5   8.719  -0.056   3.572
   34    HA   ARG   5           HA       ARG   5  10.411   1.311   5.528
   35    HB2  ARG   5           2HB      ARG   5   9.165  -0.485   6.691
   36    HB3  ARG   5           1HB      ARG   5   9.783  -1.657   5.538
   37    HG2  ARG   5           2HG      ARG   5  12.042  -1.293   6.330
   38    HG3  ARG   5           1HG      ARG   5  11.478  -0.036   7.427
   39    HD2  ARG   5           2HD      ARG   5  11.813  -2.110   8.647
   40    HD3  ARG   5           1HD      ARG   5  10.106  -1.697   8.604
   41    HE   ARG   5           HE       ARG   5  10.782  -3.398   6.468
   42   HH11  ARG   5          1HH1      ARG   5  10.263  -3.485   9.994
   43   HH12  ARG   5          2HH1      ARG   5   9.784  -5.118  10.011
   44   HH21  ARG   5          1HH2      ARG   5  10.085  -5.679   6.539
   45   HH22  ARG   5          2HH2      ARG   5   9.681  -6.368   8.038
   46    H    ARG   6           H        ARG   6  11.843   1.954   4.135
   47    HA   ARG   6           HA       ARG   6  13.444   2.061   2.624
   48    HB2  ARG   6           2HB      ARG   6  14.595   0.910   4.507
   49    HB3  ARG   6           1HB      ARG   6  14.240  -0.632   3.744
   50    HG2  ARG   6           2HG      ARG   6  16.550   0.102   3.343
   51    HG3  ARG   6           1HG      ARG   6  15.630  -0.051   1.842
   52    HD2  ARG   6           2HD      ARG   6  15.235   2.359   1.840
   53    HD3  ARG   6           1HD      ARG   6  16.166   2.524   3.326
   54    HE   ARG   6           HE       ARG   6  17.730   1.257   1.424
   55   HH11  ARG   6          1HH1      ARG   6  16.207   4.433   1.929
   56   HH12  ARG   6          2HH1      ARG   6  17.361   5.283   1.025
   57   HH21  ARG   6          1HH2      ARG   6  19.335   2.481   0.174
   58   HH22  ARG   6          2HH2      ARG   6  19.162   4.170   0.010
   59    H    GLY   7           H        GLY   7  11.447   1.637   1.181
   60    HA2  GLY   7           2HA      GLY   7  11.230   1.182  -1.075
   61    HA3  GLY   7           1HA      GLY   7  12.455  -0.064  -0.882
   62    H    VAL   8           H        VAL   8  10.897  -1.048   1.542
   63    HA   VAL   8           HA       VAL   8   9.222  -2.845   0.019
   64    HB   VAL   8           HB       VAL   8   9.762  -2.760   2.996
   65   HG11  VAL   8          1HG1      VAL   8   8.682  -4.932   1.237
   66   HG12  VAL   8          2HG1      VAL   8   7.784  -4.005   2.442
   67   HG13  VAL   8          3HG1      VAL   8   9.071  -5.107   2.945
   68   HG21  VAL   8          3HG2      VAL   8  11.390  -4.539   2.606
   69   HG22  VAL   8          1HG2      VAL   8  11.844  -3.040   1.795
   70   HG23  VAL   8          2HG2      VAL   8  11.149  -4.371   0.867
   71    H    CYS   9           H        CYS   9   7.280  -1.948  -0.486
   72    HA   CYS   9           HA       CYS   9   5.927  -0.497   1.647
   73    HB2  CYS   9           2HB      CYS   9   5.515  -0.350  -1.339
   74    HB3  CYS   9           1HB      CYS   9   4.452   0.404  -0.162
   75    H    ARG  10           H        ARG  10   4.059  -1.069   2.380
   76    HA   ARG  10           HA       ARG  10   2.566  -3.181   1.066
   77    HB2  ARG  10           2HB      ARG  10   3.727  -4.239   2.901
   78    HB3  ARG  10           1HB      ARG  10   3.259  -2.949   3.992
   79    HG2  ARG  10           2HG      ARG  10   1.025  -3.665   4.065
   80    HG3  ARG  10           1HG      ARG  10   1.231  -4.721   2.669
   81    HD2  ARG  10           2HD      ARG  10   1.170  -5.862   4.933
   82    HD3  ARG  10           1HD      ARG  10   2.541  -6.254   3.901
   83    HE   ARG  10           HE       ARG  10   3.483  -4.221   5.369
   84   HH11  ARG  10          1HH1      ARG  10   1.815  -7.169   6.370
   85   HH12  ARG  10          2HH1      ARG  10   2.748  -7.358   7.777
   86   HH21  ARG  10          1HH2      ARG  10   4.729  -4.501   7.258
   87   HH22  ARG  10          2HH2      ARG  10   4.429  -5.827   8.308
   88    H    CYS  11           H        CYS  11   1.089  -1.931   0.281
   89    HA   CYS  11           HA       CYS  11   0.070   0.243   1.837
   90    HB2  CYS  11           2HB      CYS  11  -0.528  -0.562  -1.017
   91    HB3  CYS  11           1HB      CYS  11  -0.963   0.954  -0.233
   92    H    VAL  12           H        VAL  12  -1.994   0.370   2.660
   93    HA   VAL  12           HA       VAL  12  -3.524  -2.107   2.515
   94    HB   VAL  12           HB       VAL  12  -4.511  -1.474   4.655
   95   HG11  VAL  12          1HG1      VAL  12  -2.538  -1.690   6.101
   96   HG12  VAL  12          2HG1      VAL  12  -1.506  -1.291   4.730
   97   HG13  VAL  12          3HG1      VAL  12  -2.457  -2.772   4.711
   98   HG21  VAL  12          3HG2      VAL  12  -2.717   0.963   4.583
   99   HG22  VAL  12          1HG2      VAL  12  -3.713   0.463   5.949
  100   HG23  VAL  12          2HG2      VAL  12  -4.477   0.967   4.442
  101    H    CYS  13           H        CYS  13  -5.764  -1.971   2.119
  102    HA   CYS  13           HA       CYS  13  -6.598   0.648   1.101
  103    HB2  CYS  13           2HB      CYS  13  -6.206  -0.808  -0.759
  104    HB3  CYS  13           1HB      CYS  13  -7.249  -2.070  -0.053
  105    H    ARG  14           H        ARG  14  -8.808   0.925   1.015
  106    HA   ARG  14           HA       ARG  14 -10.357  -0.481   3.087
  107    HB2  ARG  14           2HB      ARG  14  -9.419   1.670   4.012
  108    HB3  ARG  14           1HB      ARG  14 -10.286   2.537   2.755
  109    HG2  ARG  14           2HG      ARG  14 -12.417   1.655   3.691
  110    HG3  ARG  14           1HG      ARG  14 -11.490   0.933   5.009
  111    HD2  ARG  14           2HD      ARG  14 -12.361   3.028   5.782
  112    HD3  ARG  14           1HD      ARG  14 -10.627   3.211   5.545
  113    HE   ARG  14           HE       ARG  14 -12.292   3.967   3.315
  114   HH11  ARG  14          1HH1      ARG  14 -10.672   5.122   6.245
  115   HH12  ARG  14          2HH1      ARG  14 -10.576   6.741   5.744
  116   HH21  ARG  14          1HH2      ARG  14 -12.227   6.280   2.649
  117   HH22  ARG  14          2HH2      ARG  14 -11.481   7.401   3.672
  118    H    ARG  15           H        ARG  15 -11.183  -1.521   1.214
  119    HA   ARG  15           HA       ARG  15 -12.312  -1.813  -0.656
  120    HB2  ARG  15           2HB      ARG  15 -13.835  -2.383   1.002
  121    HB3  ARG  15           1HB      ARG  15 -14.203  -0.703   1.345
  122    HG2  ARG  15           2HG      ARG  15 -15.559  -0.543  -0.635
  123    HG3  ARG  15           1HG      ARG  15 -14.915  -2.061  -1.262
  124    HD2  ARG  15           2HD      ARG  15 -16.485  -1.908   1.286
  125    HD3  ARG  15           1HD      ARG  15 -17.257  -2.127  -0.284
  126    HE   ARG  15           HE       ARG  15 -15.651  -4.088  -0.466
  127   HH11  ARG  15          1HH1      ARG  15 -16.987  -3.070   2.637
  128   HH12  ARG  15          2HH1      ARG  15 -17.115  -4.642   3.269
  129   HH21  ARG  15          1HH2      ARG  15 -15.858  -6.265   0.374
  130   HH22  ARG  15          2HH2      ARG  15 -16.502  -6.506   1.932
  131    H    GLY  16           H        GLY  16 -11.085  -0.350  -1.873
  132    HA2  GLY  16           2HA      GLY  16 -11.568   0.830  -3.931
  133    HA3  GLY  16           1HA      GLY  16 -12.820   1.703  -3.062
  134    H    VAL  17           H        VAL  17 -11.167   2.152  -0.712
  135    HA   VAL  17           HA       VAL  17  -9.679   4.416  -1.774
  136    HB   VAL  17           HB       VAL  17 -10.292   3.710   1.115
  137   HG11  VAL  17          1HG1      VAL  17  -8.396   5.215   0.897
  138   HG12  VAL  17          2HG1      VAL  17  -9.777   6.074   1.579
  139   HG13  VAL  17          3HG1      VAL  17  -9.346   6.301  -0.114
  140   HG21  VAL  17          3HG2      VAL  17 -12.367   4.052  -0.082
  141   HG22  VAL  17          1HG2      VAL  17 -11.774   5.584  -0.726
  142   HG23  VAL  17          2HG2      VAL  17 -12.064   5.406   1.005
  143    H    CYS  18           H        CYS  18  -8.101   3.127  -2.616
  144    HA   CYS  18           HA       CYS  18  -6.426   1.647  -0.752
  145    HB2  CYS  18           2HB      CYS  18  -6.271   1.719  -3.770
  146    HB3  CYS  18           1HB      CYS  18  -5.445   0.600  -2.695
  Start of MODEL    8
    1    H1   ARG   1           1HT      ARG   1  -3.855   4.758   4.698
    2    H2   ARG   1           2HT      ARG   1  -2.993   3.313   4.906
    3    H3   ARG   1           3HT      ARG   1  -3.608   3.718   3.392
    4    HA   ARG   1           HA       ARG   1  -2.144   5.625   3.250
    5    HB2  ARG   1           2HB      ARG   1  -0.869   4.426   5.722
    6    HB3  ARG   1           1HB      ARG   1  -0.307   5.813   4.828
    7    HG2  ARG   1           2HG      ARG   1  -2.224   7.103   5.554
    8    HG3  ARG   1           1HG      ARG   1  -2.884   5.690   6.387
    9    HD2  ARG   1           2HD      ARG   1  -0.267   7.066   7.005
   10    HD3  ARG   1           1HD      ARG   1  -1.740   7.143   7.978
   11    HE   ARG   1           HE       ARG   1  -1.327   4.522   7.925
   12   HH11  ARG   1          1HH1      ARG   1   1.023   7.104   8.585
   13   HH12  ARG   1          2HH1      ARG   1   2.013   6.117   9.549
   14   HH21  ARG   1          1HH2      ARG   1   0.009   3.211   9.197
   15   HH22  ARG   1          2HH2      ARG   1   1.438   3.827   9.916
   16    H    CYS   2           H        CYS   2  -0.127   5.292   2.192
   17    HA   CYS   2           HA       CYS   2   0.629   2.495   1.814
   18    HB2  CYS   2           2HB      CYS   2   1.318   4.932   0.148
   19    HB3  CYS   2           1HB      CYS   2   1.679   3.259  -0.247
   20    H    VAL   3           H        VAL   3   2.573   1.849   2.761
   21    HA   VAL   3           HA       VAL   3   4.288   4.040   3.660
   22    HB   VAL   3           HB       VAL   3   3.490   1.599   5.292
   23   HG11  VAL   3          1HG1      VAL   3   5.338   3.867   6.033
   24   HG12  VAL   3          2HG1      VAL   3   5.808   2.195   5.715
   25   HG13  VAL   3          3HG1      VAL   3   4.802   2.580   7.112
   26   HG21  VAL   3          3HG2      VAL   3   1.718   3.273   5.249
   27   HG22  VAL   3          1HG2      VAL   3   2.865   4.525   5.728
   28   HG23  VAL   3          2HG2      VAL   3   2.470   3.221   6.844
   29    H    CYS   4           H        CYS   4   6.406   3.713   3.334
   30    HA   CYS   4           HA       CYS   4   7.244   1.046   2.437
   31    HB2  CYS   4           2HB      CYS   4   8.555   3.693   1.870
   32    HB3  CYS   4           1HB      CYS   4   9.055   2.135   1.249
   33    H    ARG   5           H        ARG   5   8.812   0.090   3.446
   34    HA   ARG   5           HA       ARG   5  10.351   1.541   5.458
   35    HB2  ARG   5           2HB      ARG   5   8.274   0.540   6.536
   36    HB3  ARG   5           1HB      ARG   5   8.918  -1.040   6.114
   37    HG2  ARG   5           2HG      ARG   5  10.939  -0.525   7.441
   38    HG3  ARG   5           1HG      ARG   5  10.186   0.987   7.937
   39    HD2  ARG   5           2HD      ARG   5   9.833  -0.593   9.678
   40    HD3  ARG   5           1HD      ARG   5   8.291  -0.363   8.858
   41    HE   ARG   5           HE       ARG   5   8.865  -2.471   7.627
   42   HH11  ARG   5          1HH1      ARG   5  10.023  -1.873  10.914
   43   HH12  ARG   5          2HH1      ARG   5  10.226  -3.520  11.295
   44   HH21  ARG   5          1HH2      ARG   5   9.171  -4.748   8.155
   45   HH22  ARG   5          2HH2      ARG   5   9.746  -5.186   9.676
   46    H    ARG   6           H        ARG   6  12.372   1.042   5.042
   47    HA   ARG   6           HA       ARG   6  14.243   0.058   4.284
   48    HB2  ARG   6           2HB      ARG   6  13.886  -1.052   6.473
   49    HB3  ARG   6           1HB      ARG   6  13.034  -2.352   5.665
   50    HG2  ARG   6           2HG      ARG   6  15.268  -3.077   6.199
   51    HG3  ARG   6           1HG      ARG   6  15.114  -2.916   4.451
   52    HD2  ARG   6           2HD      ARG   6  16.218  -0.729   4.578
   53    HD3  ARG   6           1HD      ARG   6  16.412  -0.942   6.321
   54    HE   ARG   6           HE       ARG   6  17.529  -2.879   4.437
   55   HH11  ARG   6          1HH1      ARG   6  18.071  -0.485   7.009
   56   HH12  ARG   6          2HH1      ARG   6  19.713  -0.860   7.208
   57   HH21  ARG   6          1HH2      ARG   6  19.831  -3.348   4.693
   58   HH22  ARG   6          2HH2      ARG   6  20.742  -2.513   5.848
   59    H    GLY   7           H        GLY   7  12.551   0.241   2.199
   60    HA2  GLY   7           2HA      GLY   7  12.825  -0.398   0.033
   61    HA3  GLY   7           1HA      GLY   7  13.653  -1.839   0.603
   62    H    VAL   8           H        VAL   8  10.672  -1.615   2.183
   63    HA   VAL   8           HA       VAL   8   9.344  -2.874  -0.097
   64    HB   VAL   8           HB       VAL   8   9.902  -4.633   1.578
   65   HG11  VAL   8          1HG1      VAL   8   9.837  -3.363   3.621
   66   HG12  VAL   8          2HG1      VAL   8   8.759  -4.750   3.727
   67   HG13  VAL   8          3HG1      VAL   8   8.097  -3.136   3.457
   68   HG21  VAL   8          3HG2      VAL   8   7.969  -4.977   0.159
   69   HG22  VAL   8          1HG2      VAL   8   6.945  -4.104   1.302
   70   HG23  VAL   8          2HG2      VAL   8   7.670  -5.651   1.756
   71    H    CYS   9           H        CYS   9   7.363  -2.143  -0.615
   72    HA   CYS   9           HA       CYS   9   6.271  -0.067   1.134
   73    HB2  CYS   9           2HB      CYS   9   6.104  -0.348  -1.873
   74    HB3  CYS   9           1HB      CYS   9   5.259   0.876  -0.930
   75    H    ARG  10           H        ARG  10   4.372  -0.469   2.036
   76    HA   ARG  10           HA       ARG  10   2.693  -2.390   0.671
   77    HB2  ARG  10           2HB      ARG  10   3.867  -3.502   2.592
   78    HB3  ARG  10           1HB      ARG  10   3.121  -2.337   3.671
   79    HG2  ARG  10           2HG      ARG  10   1.925  -4.468   3.697
   80    HG3  ARG  10           1HG      ARG  10   0.902  -3.175   3.074
   81    HD2  ARG  10           2HD      ARG  10   0.652  -5.211   1.743
   82    HD3  ARG  10           1HD      ARG  10   1.353  -3.926   0.772
   83    HE   ARG  10           HE       ARG  10   2.960  -6.040   2.025
   84   HH11  ARG  10          1HH1      ARG  10   2.103  -4.154  -0.892
   85   HH12  ARG  10          2HH1      ARG  10   3.274  -4.854  -1.875
   86   HH21  ARG  10          1HH2      ARG  10   4.561  -7.077   0.606
   87   HH22  ARG  10          2HH2      ARG  10   4.696  -6.585  -1.014
   88    H    CYS  11           H        CYS  11   0.759  -1.600   0.374
   89    HA   CYS  11           HA       CYS  11   0.006   0.681   1.997
   90    HB2  CYS  11           2HB      CYS  11   0.536   1.227  -0.378
   91    HB3  CYS  11           1HB      CYS  11  -0.778   0.144  -0.854
   92    H    VAL  12           H        VAL  12  -1.825   0.675   2.905
   93    HA   VAL  12           HA       VAL  12  -3.385  -1.745   2.590
   94    HB   VAL  12           HB       VAL  12  -4.197  -1.323   4.946
   95   HG11  VAL  12          1HG1      VAL  12  -1.243  -1.797   4.559
   96   HG12  VAL  12          2HG1      VAL  12  -2.514  -3.014   4.449
   97   HG13  VAL  12          3HG1      VAL  12  -2.168  -2.238   5.993
   98   HG21  VAL  12          3HG2      VAL  12  -1.865   0.591   5.007
   99   HG22  VAL  12          1HG2      VAL  12  -2.821   0.083   6.402
  100   HG23  VAL  12          2HG2      VAL  12  -3.568   1.034   5.112
  101    H    CYS  13           H        CYS  13  -4.915  -1.302   1.211
  102    HA   CYS  13           HA       CYS  13  -6.606   0.995   1.716
  103    HB2  CYS  13           2HB      CYS  13  -5.865  -0.419  -0.820
  104    HB3  CYS  13           1HB      CYS  13  -7.076   0.832  -0.692
  105    H    ARG  14           H        ARG  14  -8.778   0.568   0.918
  106    HA   ARG  14           HA       ARG  14  -9.626  -2.223   1.276
  107    HB2  ARG  14           2HB      ARG  14 -11.143   0.341   1.853
  108    HB3  ARG  14           1HB      ARG  14 -11.742  -1.287   2.105
  109    HG2  ARG  14           2HG      ARG  14  -9.465   0.012   3.593
  110    HG3  ARG  14           1HG      ARG  14 -11.099  -0.253   4.206
  111    HD2  ARG  14           2HD      ARG  14 -10.794  -2.664   3.971
  112    HD3  ARG  14           1HD      ARG  14  -9.170  -2.388   3.342
  113    HE   ARG  14           HE       ARG  14  -9.352  -1.137   5.804
  114   HH11  ARG  14          1HH1      ARG  14  -9.351  -4.407   4.447
  115   HH12  ARG  14          2HH1      ARG  14  -8.713  -5.148   5.834
  116   HH21  ARG  14          1HH2      ARG  14  -8.480  -2.169   7.743
  117   HH22  ARG  14          2HH2      ARG  14  -8.222  -3.847   7.763
  118    H    ARG  15           H        ARG  15 -11.461  -2.702  -0.091
  119    HA   ARG  15           HA       ARG  15 -11.123  -1.614  -2.712
  120    HB2  ARG  15           2HB      ARG  15 -11.367  -4.067  -2.254
  121    HB3  ARG  15           1HB      ARG  15 -13.018  -3.766  -1.735
  122    HG2  ARG  15           2HG      ARG  15 -13.583  -2.976  -3.978
  123    HG3  ARG  15           1HG      ARG  15 -11.927  -3.293  -4.504
  124    HD2  ARG  15           2HD      ARG  15 -13.381  -5.116  -5.149
  125    HD3  ARG  15           1HD      ARG  15 -12.221  -5.659  -3.932
  126    HE   ARG  15           HE       ARG  15 -14.776  -4.785  -2.916
  127   HH11  ARG  15          1HH1      ARG  15 -12.841  -7.566  -3.951
  128   HH12  ARG  15          2HH1      ARG  15 -13.866  -8.710  -3.214
  129   HH21  ARG  15          1HH2      ARG  15 -16.173  -6.367  -1.934
  130   HH22  ARG  15          2HH2      ARG  15 -15.776  -8.010  -2.045
  131    H    GLY  16           H        GLY  16 -11.800   0.293  -1.698
  132    HA2  GLY  16           2HA      GLY  16 -14.139   1.382  -2.672
  133    HA3  GLY  16           1HA      GLY  16 -14.532   0.884  -1.030
  134    H    VAL  17           H        VAL  17 -11.517   1.460  -0.386
  135    HA   VAL  17           HA       VAL  17 -11.353   4.254  -0.608
  136    HB   VAL  17           HB       VAL  17 -12.925   4.163   1.251
  137   HG11  VAL  17          1HG1      VAL  17 -10.954   2.429   2.710
  138   HG12  VAL  17          2HG1      VAL  17 -12.551   1.963   2.128
  139   HG13  VAL  17          3HG1      VAL  17 -12.395   3.152   3.424
  140   HG21  VAL  17          3HG2      VAL  17 -11.657   5.394   2.981
  141   HG22  VAL  17          1HG2      VAL  17 -11.308   5.951   1.343
  142   HG23  VAL  17          2HG2      VAL  17 -10.159   4.912   2.188
  143    H    CYS  18           H        CYS  18  -9.398   4.466  -1.115
  144    HA   CYS  18           HA       CYS  18  -7.340   2.757   0.083
  145    HB2  CYS  18           2HB      CYS  18  -7.750   2.414  -2.371
  146    HB3  CYS  18           1HB      CYS  18  -7.328   4.092  -2.641
  Start of MODEL    9
    1    H1   ARG   1           1HT      ARG   1  -2.212   6.297   4.470
    2    H2   ARG   1           2HT      ARG   1  -2.346   6.979   6.016
    3    H3   ARG   1           3HT      ARG   1  -2.448   5.288   5.792
    4    HA   ARG   1           HA       ARG   1  -0.081   6.910   5.219
    5    HB2  ARG   1           2HB      ARG   1  -0.508   6.776   7.644
    6    HB3  ARG   1           1HB      ARG   1  -0.679   5.033   7.523
    7    HG2  ARG   1           2HG      ARG   1   1.492   5.546   8.402
    8    HG3  ARG   1           1HG      ARG   1   1.671   4.882   6.776
    9    HD2  ARG   1           2HD      ARG   1   1.767   7.301   5.981
   10    HD3  ARG   1           1HD      ARG   1   1.937   7.737   7.680
   11    HE   ARG   1           HE       ARG   1   3.747   5.815   6.461
   12   HH11  ARG   1          1HH1      ARG   1   3.301   8.922   8.142
   13   HH12  ARG   1          2HH1      ARG   1   4.951   9.306   8.160
   14   HH21  ARG   1          1HH2      ARG   1   6.029   6.363   6.483
   15   HH22  ARG   1          2HH2      ARG   1   6.544   7.824   7.204
   16    H    CYS   2           H        CYS   2   1.329   5.886   3.912
   17    HA   CYS   2           HA       CYS   2   0.852   3.089   3.329
   18    HB2  CYS   2           2HB      CYS   2   2.813   5.051   2.081
   19    HB3  CYS   2           1HB      CYS   2   2.490   3.419   1.516
   20    H    VAL   3           H        VAL   3   2.327   1.508   3.887
   21    HA   VAL   3           HA       VAL   3   4.253   2.359   5.916
   22    HB   VAL   3           HB       VAL   3   3.048  -0.385   5.439
   23   HG11  VAL   3          1HG1      VAL   3   5.238  -0.496   6.492
   24   HG12  VAL   3          2HG1      VAL   3   3.975  -0.950   7.637
   25   HG13  VAL   3          3HG1      VAL   3   4.715   0.648   7.730
   26   HG21  VAL   3          3HG2      VAL   3   2.359   1.665   7.551
   27   HG22  VAL   3          1HG2      VAL   3   1.716   0.025   7.468
   28   HG23  VAL   3          2HG2      VAL   3   1.339   1.190   6.197
   29    H    CYS   4           H        CYS   4   6.276   2.385   5.243
   30    HA   CYS   4           HA       CYS   4   7.040   0.621   3.038
   31    HB2  CYS   4           2HB      CYS   4   8.595   2.907   4.204
   32    HB3  CYS   4           1HB      CYS   4   8.931   2.055   2.710
   33    H    ARG   5           H        ARG   5   8.308  -0.934   3.293
   34    HA   ARG   5           HA       ARG   5  10.033  -1.176   5.644
   35    HB2  ARG   5           2HB      ARG   5   7.900  -2.382   6.136
   36    HB3  ARG   5           1HB      ARG   5   8.159  -3.358   4.700
   37    HG2  ARG   5           2HG      ARG   5  10.285  -4.162   5.707
   38    HG3  ARG   5           1HG      ARG   5   9.856  -3.297   7.184
   39    HD2  ARG   5           2HD      ARG   5   9.207  -5.614   7.397
   40    HD3  ARG   5           1HD      ARG   5   7.765  -4.602   7.286
   41    HE   ARG   5           HE       ARG   5   8.593  -5.555   4.741
   42   HH11  ARG   5          1HH1      ARG   5   6.724  -6.490   7.612
   43   HH12  ARG   5          2HH1      ARG   5   5.890  -7.735   6.804
   44   HH21  ARG   5          1HH2      ARG   5   7.407  -7.237   3.653
   45   HH22  ARG   5          2HH2      ARG   5   6.283  -8.162   4.518
   46    H    ARG   6           H        ARG   6  12.019  -1.520   4.821
   47    HA   ARG   6           HA       ARG   6  13.713  -2.180   3.554
   48    HB2  ARG   6           2HB      ARG   6  12.850  -4.473   4.089
   49    HB3  ARG   6           1HB      ARG   6  11.845  -4.411   2.658
   50    HG2  ARG   6           2HG      ARG   6  13.874  -5.806   2.404
   51    HG3  ARG   6           1HG      ARG   6  13.770  -4.499   1.228
   52    HD2  ARG   6           2HD      ARG   6  16.038  -4.749   2.105
   53    HD3  ARG   6           1HD      ARG   6  15.356  -3.181   2.516
   54    HE   ARG   6           HE       ARG   6  14.875  -4.900   4.653
   55   HH11  ARG   6          1HH1      ARG   6  17.656  -3.416   3.049
   56   HH12  ARG   6          2HH1      ARG   6  18.639  -3.433   4.436
   57   HH21  ARG   6          1HH2      ARG   6  16.213  -4.873   6.572
   58   HH22  ARG   6          2HH2      ARG   6  17.798  -4.269   6.492
   59    H    GLY   7           H        GLY   7  11.914  -0.238   2.677
   60    HA2  GLY   7           2HA      GLY   7  11.995   1.189   0.881
   61    HA3  GLY   7           1HA      GLY   7  12.745  -0.106  -0.039
   62    H    VAL   8           H        VAL   8  10.181  -1.629   1.194
   63    HA   VAL   8           HA       VAL   8   8.634  -1.084  -1.213
   64    HB   VAL   8           HB       VAL   8   8.371  -3.370   0.762
   65   HG11  VAL   8          1HG1      VAL   8   6.258  -2.894  -0.373
   66   HG12  VAL   8          2HG1      VAL   8   6.943  -4.410  -0.962
   67   HG13  VAL   8          3HG1      VAL   8   7.070  -2.947  -1.935
   68   HG21  VAL   8          3HG2      VAL   8   9.367  -4.723  -1.032
   69   HG22  VAL   8          1HG2      VAL   8  10.467  -3.468  -0.450
   70   HG23  VAL   8          2HG2      VAL   8   9.615  -3.256  -1.978
   71    H    CYS   9           H        CYS   9   7.065   0.265  -1.062
   72    HA   CYS   9           HA       CYS   9   5.817   0.801   1.510
   73    HB2  CYS   9           2HB      CYS   9   5.733   2.336  -1.084
   74    HB3  CYS   9           1HB      CYS   9   5.015   2.845   0.444
   75    H    ARG  10           H        ARG  10   4.009  -0.064   1.993
   76    HA   ARG  10           HA       ARG  10   2.200  -0.900  -0.141
   77    HB2  ARG  10           2HB      ARG  10   2.969  -2.812   1.137
   78    HB3  ARG  10           1HB      ARG  10   2.628  -1.994   2.653
   79    HG2  ARG  10           2HG      ARG  10   0.242  -2.097   2.194
   80    HG3  ARG  10           1HG      ARG  10   0.558  -2.845   0.633
   81    HD2  ARG  10           2HD      ARG  10  -0.118  -4.466   2.395
   82    HD3  ARG  10           1HD      ARG  10   1.454  -4.810   1.687
   83    HE   ARG  10           HE       ARG  10   2.492  -4.152   3.666
   84   HH11  ARG  10          1HH1      ARG  10  -1.064  -3.856   4.037
   85   HH12  ARG  10          2HH1      ARG  10  -1.012  -4.004   5.709
   86   HH21  ARG  10          1HH2      ARG  10   2.510  -4.378   5.958
   87   HH22  ARG  10          2HH2      ARG  10   1.071  -4.318   6.867
   88    H    CYS  11           H        CYS  11   0.395   0.254  -0.249
   89    HA   CYS  11           HA       CYS  11  -0.187   2.084   1.923
   90    HB2  CYS  11           2HB      CYS  11  -1.237   1.952  -0.905
   91    HB3  CYS  11           1HB      CYS  11  -1.665   3.179   0.281
   92    H    VAL  12           H        VAL  12  -1.936   1.892   3.154
   93    HA   VAL  12           HA       VAL  12  -3.339  -0.601   3.056
   94    HB   VAL  12           HB       VAL  12  -3.784   1.770   4.891
   95   HG11  VAL  12          1HG1      VAL  12  -5.704   0.286   4.834
   96   HG12  VAL  12          2HG1      VAL  12  -4.871   0.146   6.381
   97   HG13  VAL  12          3HG1      VAL  12  -4.665  -1.103   5.154
   98   HG21  VAL  12          3HG2      VAL  12  -2.116  -0.712   5.322
   99   HG22  VAL  12          1HG2      VAL  12  -2.447   0.524   6.537
  100   HG23  VAL  12          2HG2      VAL  12  -1.503   0.924   5.100
  101    H    CYS  13           H        CYS  13  -4.663  -0.701   1.357
  102    HA   CYS  13           HA       CYS  13  -6.372   1.407   0.533
  103    HB2  CYS  13           2HB      CYS  13  -5.759  -0.227  -1.081
  104    HB3  CYS  13           1HB      CYS  13  -6.398  -1.544  -0.066
  105    H    ARG  14           H        ARG  14  -8.690   1.128   0.483
  106    HA   ARG  14           HA       ARG  14  -9.580   0.287   3.148
  107    HB2  ARG  14           2HB      ARG  14  -9.460   2.745   2.936
  108    HB3  ARG  14           1HB      ARG  14 -10.518   2.681   1.540
  109    HG2  ARG  14           2HG      ARG  14 -12.358   1.944   2.925
  110    HG3  ARG  14           1HG      ARG  14 -11.297   1.838   4.332
  111    HD2  ARG  14           2HD      ARG  14 -11.887   4.355   2.781
  112    HD3  ARG  14           1HD      ARG  14 -12.636   3.915   4.319
  113    HE   ARG  14           HE       ARG  14 -10.179   3.847   5.098
  114   HH11  ARG  14          1HH1      ARG  14 -11.533   6.254   2.875
  115   HH12  ARG  14          2HH1      ARG  14 -10.401   7.457   3.295
  116   HH21  ARG  14          1HH2      ARG  14  -8.691   5.488   5.670
  117   HH22  ARG  14          2HH2      ARG  14  -8.737   7.028   4.915
  118    H    ARG  15           H        ARG  15  -9.814  -1.672   1.983
  119    HA   ARG  15           HA       ARG  15 -10.853  -3.252   0.768
  120    HB2  ARG  15           2HB      ARG  15 -11.920  -3.281   2.849
  121    HB3  ARG  15           1HB      ARG  15 -12.907  -1.903   2.436
  122    HG2  ARG  15           2HG      ARG  15 -14.205  -3.310   0.894
  123    HG3  ARG  15           1HG      ARG  15 -13.132  -4.675   1.226
  124    HD2  ARG  15           2HD      ARG  15 -15.283  -4.757   2.485
  125    HD3  ARG  15           1HD      ARG  15 -13.847  -4.763   3.511
  126    HE   ARG  15           HE       ARG  15 -14.849  -2.141   3.064
  127   HH11  ARG  15          1HH1      ARG  15 -15.511  -5.033   4.976
  128   HH12  ARG  15          2HH1      ARG  15 -16.065  -4.185   6.339
  129   HH21  ARG  15          1HH2      ARG  15 -15.575  -0.986   4.891
  130   HH22  ARG  15          2HH2      ARG  15 -16.110  -1.823   6.292
  131    H    GLY  16           H        GLY  16 -10.348  -2.035  -1.229
  132    HA2  GLY  16           2HA      GLY  16 -11.326  -2.145  -3.411
  133    HA3  GLY  16           1HA      GLY  16 -12.858  -1.653  -2.706
  134    H    VAL  17           H        VAL  17 -11.472   0.474  -1.069
  135    HA   VAL  17           HA       VAL  17 -11.454   2.432  -3.220
  136    HB   VAL  17           HB       VAL  17 -11.500   2.871  -0.203
  137   HG11  VAL  17          1HG1      VAL  17 -12.031   4.806  -2.462
  138   HG12  VAL  17          2HG1      VAL  17 -10.612   4.789  -1.413
  139   HG13  VAL  17          3HG1      VAL  17 -12.202   5.156  -0.741
  140   HG21  VAL  17          3HG2      VAL  17 -13.892   3.401  -0.468
  141   HG22  VAL  17          1HG2      VAL  17 -13.525   1.734  -0.916
  142   HG23  VAL  17          2HG2      VAL  17 -13.787   2.941  -2.173
  143    H    CYS  18           H        CYS  18  -9.477   1.731  -3.961
  144    HA   CYS  18           HA       CYS  18  -7.169   2.133  -2.214
  145    HB2  CYS  18           2HB      CYS  18  -7.260   0.854  -4.962
  146    HB3  CYS  18           1HB      CYS  18  -5.913   0.844  -3.842
  Start of MODEL   10
    1    H1   ARG   1           1HT      ARG   1  -2.927   4.963   4.871
    2    H2   ARG   1           2HT      ARG   1  -3.015   6.024   6.191
    3    H3   ARG   1           3HT      ARG   1  -2.152   4.566   6.297
    4    HA   ARG   1           HA       ARG   1  -1.416   6.772   4.496
    5    HB2  ARG   1           2HB      ARG   1  -1.036   7.077   7.037
    6    HB3  ARG   1           1HB      ARG   1   0.082   5.729   6.917
    7    HG2  ARG   1           2HG      ARG   1   1.326   7.063   5.177
    8    HG3  ARG   1           1HG      ARG   1   0.298   8.429   5.607
    9    HD2  ARG   1           2HD      ARG   1   2.190   8.769   6.910
   10    HD3  ARG   1           1HD      ARG   1   1.090   7.962   8.026
   11    HE   ARG   1           HE       ARG   1   3.145   6.486   6.533
   12   HH11  ARG   1          1HH1      ARG   1   1.604   7.198   9.647
   13   HH12  ARG   1          2HH1      ARG   1   2.703   6.276  10.559
   14   HH21  ARG   1          1HH2      ARG   1   4.655   5.214   7.797
   15   HH22  ARG   1          2HH2      ARG   1   4.476   5.112   9.483
   16    H    CYS   2           H        CYS   2  -0.077   5.992   2.897
   17    HA   CYS   2           HA       CYS   2   0.572   3.220   2.833
   18    HB2  CYS   2           2HB      CYS   2   1.456   5.527   1.093
   19    HB3  CYS   2           1HB      CYS   2   1.844   3.837   0.770
   20    H    VAL   3           H        VAL   3   2.288   2.223   3.643
   21    HA   VAL   3           HA       VAL   3   4.404   3.889   4.838
   22    HB   VAL   3           HB       VAL   3   3.367   1.177   5.737
   23   HG11  VAL   3          1HG1      VAL   3   5.320   3.026   7.095
   24   HG12  VAL   3          2HG1      VAL   3   5.725   1.514   6.283
   25   HG13  VAL   3          3HG1      VAL   3   4.722   1.493   7.736
   26   HG21  VAL   3          3HG2      VAL   3   1.712   2.917   6.147
   27   HG22  VAL   3          1HG2      VAL   3   2.921   3.888   6.985
   28   HG23  VAL   3          2HG2      VAL   3   2.406   2.347   7.667
   29    H    CYS   4           H        CYS   4   6.499   3.320   4.310
   30    HA   CYS   4           HA       CYS   4   6.801   0.951   2.619
   31    HB2  CYS   4           2HB      CYS   4   8.480   3.434   2.554
   32    HB3  CYS   4           1HB      CYS   4   8.616   2.047   1.490
   33    H    ARG   5           H        ARG   5   8.095  -0.470   3.187
   34    HA   ARG   5           HA       ARG   5  10.077   0.017   5.298
   35    HB2  ARG   5           2HB      ARG   5   8.210  -2.373   5.190
   36    HB3  ARG   5           1HB      ARG   5   9.403  -2.035   6.435
   37    HG2  ARG   5           2HG      ARG   5   8.112  -0.068   7.136
   38    HG3  ARG   5           1HG      ARG   5   6.937  -0.398   5.869
   39    HD2  ARG   5           2HD      ARG   5   6.072  -1.224   7.945
   40    HD3  ARG   5           1HD      ARG   5   6.506  -2.589   6.917
   41    HE   ARG   5           HE       ARG   5   8.506  -1.705   8.788
   42   HH11  ARG   5          1HH1      ARG   5   5.942  -4.026   8.065
   43   HH12  ARG   5          2HH1      ARG   5   6.361  -5.114   9.307
   44   HH21  ARG   5          1HH2      ARG   5   9.083  -3.172  10.507
   45   HH22  ARG   5          2HH2      ARG   5   8.210  -4.612  10.746
   46    H    ARG   6           H        ARG   6  11.958  -0.493   4.348
   47    HA   ARG   6           HA       ARG   6  13.549  -1.460   3.057
   48    HB2  ARG   6           2HB      ARG   6  12.989  -3.469   4.437
   49    HB3  ARG   6           1HB      ARG   6  11.747  -3.911   3.285
   50    HG2  ARG   6           2HG      ARG   6  13.496  -4.305   1.583
   51    HG3  ARG   6           1HG      ARG   6  14.729  -3.894   2.777
   52    HD2  ARG   6           2HD      ARG   6  14.044  -5.738   4.172
   53    HD3  ARG   6           1HD      ARG   6  12.714  -6.115   3.082
   54    HE   ARG   6           HE       ARG   6  14.551  -6.541   1.399
   55   HH11  ARG   6          1HH1      ARG   6  15.077  -7.032   4.889
   56   HH12  ARG   6          2HH1      ARG   6  16.146  -8.328   4.668
   57   HH21  ARG   6          1HH2      ARG   6  16.042  -8.389   1.149
   58   HH22  ARG   6          2HH2      ARG   6  16.701  -9.082   2.566
   59    H    GLY   7           H        GLY   7  11.546   0.032   1.796
   60    HA2  GLY   7           2HA      GLY   7  11.173   0.648  -0.397
   61    HA3  GLY   7           1HA      GLY   7  11.880  -0.889  -0.878
   62    H    VAL   8           H        VAL   8   9.829  -2.055   1.184
   63    HA   VAL   8           HA       VAL   8   7.835  -2.567  -0.824
   64    HB   VAL   8           HB       VAL   8   7.986  -3.610   2.021
   65   HG11  VAL   8          1HG1      VAL   8   6.471  -4.648  -0.370
   66   HG12  VAL   8          2HG1      VAL   8   5.774  -3.820   1.019
   67   HG13  VAL   8          3HG1      VAL   8   6.524  -5.408   1.222
   68   HG21  VAL   8          3HG2      VAL   8  10.007  -4.241   0.801
   69   HG22  VAL   8          1HG2      VAL   8   9.026  -4.891  -0.513
   70   HG23  VAL   8          2HG2      VAL   8   8.984  -5.651   1.077
   71    H    CYS   9           H        CYS   9   6.492  -0.979  -1.054
   72    HA   CYS   9           HA       CYS   9   5.473   0.474   1.243
   73    HB2  CYS   9           2HB      CYS   9   5.046   0.918  -1.710
   74    HB3  CYS   9           1HB      CYS   9   4.476   1.975  -0.421
   75    H    ARG  10           H        ARG  10   3.651   0.088   2.130
   76    HA   ARG  10           HA       ARG  10   1.703  -1.530   0.688
   77    HB2  ARG  10           2HB      ARG  10   2.942  -2.929   2.288
   78    HB3  ARG  10           1HB      ARG  10   2.527  -1.816   3.581
   79    HG2  ARG  10           2HG      ARG  10   1.123  -3.798   3.657
   80    HG3  ARG  10           1HG      ARG  10   0.158  -2.368   3.296
   81    HD2  ARG  10           2HD      ARG  10  -0.495  -4.261   1.892
   82    HD3  ARG  10           1HD      ARG  10   0.159  -2.943   0.927
   83    HE   ARG  10           HE       ARG  10   1.953  -5.087   1.728
   84   HH11  ARG  10          1HH1      ARG  10   0.133  -3.502  -0.884
   85   HH12  ARG  10          2HH1      ARG  10   0.857  -4.399  -2.120
   86   HH21  ARG  10          1HH2      ARG  10   2.975  -6.320  -0.021
   87   HH22  ARG  10          2HH2      ARG  10   2.478  -6.064  -1.616
   88    H    CYS  11           H        CYS  11  -0.218  -0.604   0.666
   89    HA   CYS  11           HA       CYS  11  -0.845   1.449   2.626
   90    HB2  CYS  11           2HB      CYS  11  -2.192   0.837  -0.003
   91    HB3  CYS  11           1HB      CYS  11  -2.391   2.267   0.993
   92    H    VAL  12           H        VAL  12  -2.301   0.797   4.130
   93    HA   VAL  12           HA       VAL  12  -3.753  -1.673   3.735
   94    HB   VAL  12           HB       VAL  12  -3.889   0.330   6.040
   95   HG11  VAL  12          1HG1      VAL  12  -5.973  -0.947   5.842
   96   HG12  VAL  12          2HG1      VAL  12  -5.075  -1.443   7.276
   97   HG13  VAL  12          3HG1      VAL  12  -5.059  -2.455   5.828
   98   HG21  VAL  12          3HG2      VAL  12  -2.543  -2.369   5.884
   99   HG22  VAL  12          1HG2      VAL  12  -2.601  -1.327   7.302
  100   HG23  VAL  12          2HG2      VAL  12  -1.715  -0.817   5.866
  101    H    CYS  13           H        CYS  13  -5.159  -1.396   2.156
  102    HA   CYS  13           HA       CYS  13  -6.722   1.018   1.942
  103    HB2  CYS  13           2HB      CYS  13  -6.569  -1.389   0.172
  104    HB3  CYS  13           1HB      CYS  13  -7.284   0.167  -0.195
  105    H    ARG  14           H        ARG  14  -8.930   0.862   1.534
  106    HA   ARG  14           HA       ARG  14 -10.260  -1.387   2.846
  107    HB2  ARG  14           2HB      ARG  14 -11.284   1.384   2.123
  108    HB3  ARG  14           1HB      ARG  14 -12.278   0.123   2.828
  109    HG2  ARG  14           2HG      ARG  14 -10.943   0.161   4.846
  110    HG3  ARG  14           1HG      ARG  14  -9.857   1.347   4.124
  111    HD2  ARG  14           2HD      ARG  14 -11.737   2.918   3.934
  112    HD3  ARG  14           1HD      ARG  14 -12.787   1.733   4.713
  113    HE   ARG  14           HE       ARG  14 -10.822   1.991   6.490
  114   HH11  ARG  14          1HH1      ARG  14 -12.751   4.449   4.803
  115   HH12  ARG  14          2HH1      ARG  14 -12.701   5.566   6.086
  116   HH21  ARG  14          1HH2      ARG  14 -10.752   3.563   8.255
  117   HH22  ARG  14          2HH2      ARG  14 -11.538   5.068   8.073
  118    H    ARG  15           H        ARG  15  -9.713  -2.650   1.052
  119    HA   ARG  15           HA       ARG  15  -9.755  -3.503  -1.002
  120    HB2  ARG  15           2HB      ARG  15 -11.528  -4.537   0.145
  121    HB3  ARG  15           1HB      ARG  15 -12.581  -3.174  -0.155
  122    HG2  ARG  15           2HG      ARG  15 -12.734  -3.795  -2.508
  123    HG3  ARG  15           1HG      ARG  15 -11.509  -5.046  -2.291
  124    HD2  ARG  15           2HD      ARG  15 -14.185  -4.988  -0.923
  125    HD3  ARG  15           1HD      ARG  15 -13.811  -5.949  -2.354
  126    HE   ARG  15           HE       ARG  15 -11.926  -6.766  -0.729
  127   HH11  ARG  15          1HH1      ARG  15 -15.346  -6.216   0.085
  128   HH12  ARG  15          2HH1      ARG  15 -15.454  -7.517   1.168
  129   HH21  ARG  15          1HH2      ARG  15 -12.065  -8.568   0.791
  130   HH22  ARG  15          2HH2      ARG  15 -13.541  -8.849   1.606
  131    H    GLY  16           H        GLY  16  -8.800  -1.601  -1.957
  132    HA2  GLY  16           2HA      GLY  16  -8.801  -0.718  -4.174
  133    HA3  GLY  16           1HA      GLY  16 -10.555  -0.668  -4.107
  134    H    VAL  17           H        VAL  17 -10.327   0.542  -1.297
  135    HA   VAL  17           HA       VAL  17 -10.156   3.210  -2.337
  136    HB   VAL  17           HB       VAL  17 -10.987   2.335   0.445
  137   HG11  VAL  17          1HG1      VAL  17 -10.193   4.648   0.396
  138   HG12  VAL  17          2HG1      VAL  17 -11.941   4.596   0.638
  139   HG13  VAL  17          3HG1      VAL  17 -11.281   5.004  -0.945
  140   HG21  VAL  17          3HG2      VAL  17 -12.673   3.119  -1.934
  141   HG22  VAL  17          1HG2      VAL  17 -13.281   2.776  -0.314
  142   HG23  VAL  17          2HG2      VAL  17 -12.517   1.495  -1.262
  143    H    CYS  18           H        CYS  18  -8.074   3.224  -2.715
  144    HA   CYS  18           HA       CYS  18  -6.591   4.536  -0.609
  145    HB2  CYS  18           2HB      CYS  18  -5.546   2.205  -2.181
  146    HB3  CYS  18           1HB      CYS  18  -4.444   3.515  -1.781
  Start of MODEL   11
    1    H1   ARG   1           1HT      ARG   1  -3.412   5.252   2.384
    2    H2   ARG   1           2HT      ARG   1  -2.550   6.084   1.252
    3    H3   ARG   1           3HT      ARG   1  -3.527   6.945   2.285
    4    HA   ARG   1           HA       ARG   1  -1.218   7.146   2.822
    5    HB2  ARG   1           2HB      ARG   1  -2.737   5.405   4.796
    6    HB3  ARG   1           1HB      ARG   1  -1.162   6.071   5.162
    7    HG2  ARG   1           2HG      ARG   1  -2.673   7.521   6.206
    8    HG3  ARG   1           1HG      ARG   1  -2.218   8.364   4.735
    9    HD2  ARG   1           2HD      ARG   1  -4.541   8.649   4.905
   10    HD3  ARG   1           1HD      ARG   1  -4.341   7.360   3.724
   11    HE   ARG   1           HE       ARG   1  -4.670   6.403   6.391
   12   HH11  ARG   1          1HH1      ARG   1  -6.376   7.331   3.433
   13   HH12  ARG   1          2HH1      ARG   1  -7.869   6.675   3.900
   14   HH21  ARG   1          1HH2      ARG   1  -6.728   5.506   7.062
   15   HH22  ARG   1          2HH2      ARG   1  -8.072   5.594   6.026
   16    H    CYS   2           H        CYS   2   0.755   6.364   2.451
   17    HA   CYS   2           HA       CYS   2   0.953   3.507   1.879
   18    HB2  CYS   2           2HB      CYS   2   2.793   5.766   1.036
   19    HB3  CYS   2           1HB      CYS   2   2.928   4.088   0.536
   20    H    VAL   3           H        VAL   3   2.545   2.240   2.853
   21    HA   VAL   3           HA       VAL   3   4.103   3.555   4.935
   22    HB   VAL   3           HB       VAL   3   2.111   2.529   6.012
   23   HG11  VAL   3          1HG1      VAL   3   1.567   0.816   4.409
   24   HG12  VAL   3          2HG1      VAL   3   1.756   0.104   6.014
   25   HG13  VAL   3          3HG1      VAL   3   3.041  -0.065   4.815
   26   HG21  VAL   3          3HG2      VAL   3   4.190   2.553   7.276
   27   HG22  VAL   3          1HG2      VAL   3   4.648   0.996   6.586
   28   HG23  VAL   3          2HG2      VAL   3   3.255   1.114   7.664
   29    H    CYS   4           H        CYS   4   6.173   2.593   5.202
   30    HA   CYS   4           HA       CYS   4   6.696   0.590   3.155
   31    HB2  CYS   4           2HB      CYS   4   8.644   2.688   4.109
   32    HB3  CYS   4           1HB      CYS   4   8.863   1.557   2.777
   33    H    ARG   5           H        ARG   5   7.914  -1.093   3.562
   34    HA   ARG   5           HA       ARG   5   8.876  -1.408   6.289
   35    HB2  ARG   5           2HB      ARG   5   6.794  -2.631   6.140
   36    HB3  ARG   5           1HB      ARG   5   7.309  -3.405   4.652
   37    HG2  ARG   5           2HG      ARG   5   9.021  -4.636   5.823
   38    HG3  ARG   5           1HG      ARG   5   8.657  -3.790   7.323
   39    HD2  ARG   5           2HD      ARG   5   7.694  -6.049   7.234
   40    HD3  ARG   5           1HD      ARG   5   6.461  -4.800   7.403
   41    HE   ARG   5           HE       ARG   5   6.733  -5.270   4.705
   42   HH11  ARG   5          1HH1      ARG   5   5.825  -7.241   7.499
   43   HH12  ARG   5          2HH1      ARG   5   4.738  -8.219   6.614
   44   HH21  ARG   5          1HH2      ARG   5   5.225  -6.584   3.528
   45   HH22  ARG   5          2HH2      ARG   5   4.385  -7.839   4.317
   46    H    ARG   6           H        ARG   6  10.923  -1.321   6.019
   47    HA   ARG   6           HA       ARG   6  13.047  -1.851   5.521
   48    HB2  ARG   6           2HB      ARG   6  12.057  -3.996   6.438
   49    HB3  ARG   6           1HB      ARG   6  11.909  -4.542   4.783
   50    HG2  ARG   6           2HG      ARG   6  14.317  -4.465   4.518
   51    HG3  ARG   6           1HG      ARG   6  14.492  -3.832   6.164
   52    HD2  ARG   6           2HD      ARG   6  13.353  -5.856   7.003
   53    HD3  ARG   6           1HD      ARG   6  13.346  -6.505   5.367
   54    HE   ARG   6           HE       ARG   6  15.955  -5.880   5.929
   55   HH11  ARG   6          1HH1      ARG   6  13.470  -8.024   7.253
   56   HH12  ARG   6          2HH1      ARG   6  14.567  -9.156   7.890
   57   HH21  ARG   6          1HH2      ARG   6  17.484  -7.458   6.843
   58   HH22  ARG   6          2HH2      ARG   6  16.884  -8.818   7.675
   59    H    GLY   7           H        GLY   7  12.132  -0.385   3.547
   60    HA2  GLY   7           2HA      GLY   7  13.076   0.190   1.516
   61    HA3  GLY   7           1HA      GLY   7  13.491  -1.498   1.286
   62    H    VAL   8           H        VAL   8  10.612  -2.226   1.978
   63    HA   VAL   8           HA       VAL   8   9.657  -1.808  -0.757
   64    HB   VAL   8           HB       VAL   8   8.692  -3.813   1.301
   65   HG11  VAL   8          1HG1      VAL   8   7.559  -4.901  -0.594
   66   HG12  VAL   8          2HG1      VAL   8   8.089  -3.599  -1.655
   67   HG13  VAL   8          3HG1      VAL   8   6.967  -3.259  -0.337
   68   HG21  VAL   8          3HG2      VAL   8   9.881  -5.502  -0.045
   69   HG22  VAL   8          1HG2      VAL   8  10.979  -4.304   0.645
   70   HG23  VAL   8          2HG2      VAL   8  10.535  -4.212  -1.057
   71    H    CYS   9           H        CYS   9   8.302  -0.193  -0.993
   72    HA   CYS   9           HA       CYS   9   6.649   0.634   1.214
   73    HB2  CYS   9           2HB      CYS   9   7.091   1.826  -1.505
   74    HB3  CYS   9           1HB      CYS   9   5.946   2.470  -0.326
   75    H    ARG  10           H        ARG  10   4.498   0.529   1.369
   76    HA   ARG  10           HA       ARG  10   3.088  -0.944  -0.708
   77    HB2  ARG  10           2HB      ARG  10   3.671  -2.494   1.064
   78    HB3  ARG  10           1HB      ARG  10   3.078  -1.381   2.284
   79    HG2  ARG  10           2HG      ARG  10   1.509  -3.204   1.958
   80    HG3  ARG  10           1HG      ARG  10   0.788  -1.683   1.436
   81    HD2  ARG  10           2HD      ARG  10   0.275  -3.449  -0.146
   82    HD3  ARG  10           1HD      ARG  10   1.332  -2.243  -0.883
   83    HE   ARG  10           HE       ARG  10   2.841  -4.330   0.238
   84   HH11  ARG  10          1HH1      ARG  10   0.855  -3.550  -2.595
   85   HH12  ARG  10          2HH1      ARG  10   1.506  -4.780  -3.572
   86   HH21  ARG  10          1HH2      ARG  10   3.749  -6.020  -1.122
   87   HH22  ARG  10          2HH2      ARG  10   3.212  -6.195  -2.723
   88    H    CYS  11           H        CYS  11   1.644   0.567  -1.436
   89    HA   CYS  11           HA       CYS  11   0.364   2.261   0.502
   90    HB2  CYS  11           2HB      CYS  11  -0.145   1.956  -2.445
   91    HB3  CYS  11           1HB      CYS  11  -0.823   3.196  -1.410
   92    H    VAL  12           H        VAL  12  -1.193   1.579   1.581
   93    HA   VAL  12           HA       VAL  12  -2.468  -0.910   0.778
   94    HB   VAL  12           HB       VAL  12  -1.312  -1.033   2.900
   95   HG11  VAL  12          1HG1      VAL  12  -1.277   1.258   3.574
   96   HG12  VAL  12          2HG1      VAL  12  -1.987   0.289   4.864
   97   HG13  VAL  12          3HG1      VAL  12  -3.022   1.259   3.815
   98   HG21  VAL  12          3HG2      VAL  12  -3.321  -2.370   2.745
   99   HG22  VAL  12          1HG2      VAL  12  -4.300  -1.016   3.311
  100   HG23  VAL  12          2HG2      VAL  12  -3.135  -1.771   4.396
  101    H    CYS  13           H        CYS  13  -4.623  -1.083   0.438
  102    HA   CYS  13           HA       CYS  13  -6.232   1.299   0.814
  103    HB2  CYS  13           2HB      CYS  13  -6.456  -0.894  -1.236
  104    HB3  CYS  13           1HB      CYS  13  -7.394   0.572  -1.133
  105    H    ARG  14           H        ARG  14  -8.538   0.636   1.146
  106    HA   ARG  14           HA       ARG  14  -8.792  -1.977   2.453
  107    HB2  ARG  14           2HB      ARG  14 -10.674   0.408   2.471
  108    HB3  ARG  14           1HB      ARG  14 -10.827  -1.047   3.449
  109    HG2  ARG  14           2HG      ARG  14  -8.805  -0.442   4.663
  110    HG3  ARG  14           1HG      ARG  14  -8.648   1.013   3.675
  111    HD2  ARG  14           2HD      ARG  14 -10.890   1.718   4.491
  112    HD3  ARG  14           1HD      ARG  14 -10.871   0.340   5.599
  113    HE   ARG  14           HE       ARG  14  -8.577   2.057   5.758
  114   HH11  ARG  14          1HH1      ARG  14 -11.779   1.350   7.118
  115   HH12  ARG  14          2HH1      ARG  14 -11.529   2.318   8.495
  116   HH21  ARG  14          1HH2      ARG  14  -8.265   3.337   7.649
  117   HH22  ARG  14          2HH2      ARG  14  -9.500   3.479   8.807
  118    H    ARG  15           H        ARG  15 -10.901  -3.024   1.797
  119    HA   ARG  15           HA       ARG  15 -10.941  -3.176  -1.045
  120    HB2  ARG  15           2HB      ARG  15 -11.012  -5.176   0.400
  121    HB3  ARG  15           1HB      ARG  15 -12.546  -4.635   1.058
  122    HG2  ARG  15           2HG      ARG  15 -13.525  -4.849  -1.215
  123    HG3  ARG  15           1HG      ARG  15 -11.992  -5.537  -1.755
  124    HD2  ARG  15           2HD      ARG  15 -12.202  -7.359  -0.206
  125    HD3  ARG  15           1HD      ARG  15 -13.642  -6.639   0.511
  126    HE   ARG  15           HE       ARG  15 -13.770  -7.225  -2.313
  127   HH11  ARG  15          1HH1      ARG  15 -14.535  -8.339   0.986
  128   HH12  ARG  15          2HH1      ARG  15 -15.732  -9.425   0.447
  129   HH21  ARG  15          1HH2      ARG  15 -15.432  -8.735  -2.985
  130   HH22  ARG  15          2HH2      ARG  15 -16.229  -9.665  -1.805
  131    H    GLY  16           H        GLY  16 -11.615  -0.967  -0.868
  132    HA2  GLY  16           2HA      GLY  16 -13.827  -0.353  -2.244
  133    HA3  GLY  16           1HA      GLY  16 -14.490  -0.478  -0.622
  134    H    VAL  17           H        VAL  17 -11.551   0.619   0.102
  135    HA   VAL  17           HA       VAL  17 -12.025   3.411  -0.523
  136    HB   VAL  17           HB       VAL  17 -11.899   2.413   2.362
  137   HG11  VAL  17          1HG1      VAL  17 -10.622   4.461   2.101
  138   HG12  VAL  17          2HG1      VAL  17 -12.098   4.772   3.013
  139   HG13  VAL  17          3HG1      VAL  17 -11.996   5.240   1.315
  140   HG21  VAL  17          3HG2      VAL  17 -14.116   3.912   0.950
  141   HG22  VAL  17          1HG2      VAL  17 -14.103   3.446   2.652
  142   HG23  VAL  17          2HG2      VAL  17 -14.157   2.207   1.397
  143    H    CYS  18           H        CYS  18 -10.053   3.641  -1.484
  144    HA   CYS  18           HA       CYS  18  -7.763   2.738   0.057
  145    HB2  CYS  18           2HB      CYS  18  -7.864   2.147  -2.415
  146    HB3  CYS  18           1HB      CYS  18  -7.740   3.867  -2.761
  Start of MODEL   12
    1    H1   ARG   1           1HT      ARG   1  -3.665   5.688   4.709
    2    H2   ARG   1           2HT      ARG   1  -3.483   4.032   4.430
    3    H3   ARG   1           3HT      ARG   1  -3.090   5.143   3.223
    4    HA   ARG   1           HA       ARG   1  -1.291   5.998   4.493
    5    HB2  ARG   1           2HB      ARG   1  -2.192   5.517   6.742
    6    HB3  ARG   1           1HB      ARG   1  -2.028   3.790   6.432
    7    HG2  ARG   1           2HG      ARG   1   0.422   4.123   6.182
    8    HG3  ARG   1           1HG      ARG   1   0.195   5.804   6.636
    9    HD2  ARG   1           2HD      ARG   1  -0.685   5.105   8.804
   10    HD3  ARG   1           1HD      ARG   1  -0.503   3.415   8.332
   11    HE   ARG   1           HE       ARG   1   1.917   4.965   8.163
   12   HH11  ARG   1          1HH1      ARG   1  -0.052   2.945  10.339
   13   HH12  ARG   1          2HH1      ARG   1   1.257   2.525  11.340
   14   HH21  ARG   1          1HH2      ARG   1   3.690   4.353   9.530
   15   HH22  ARG   1          2HH2      ARG   1   3.437   3.348  10.874
   16    H    CYS   2           H        CYS   2   0.640   5.245   3.753
   17    HA   CYS   2           HA       CYS   2   0.737   2.442   3.003
   18    HB2  CYS   2           2HB      CYS   2   2.262   4.756   1.790
   19    HB3  CYS   2           1HB      CYS   2   2.241   3.089   1.217
   20    H    VAL   3           H        VAL   3   2.606   1.329   3.549
   21    HA   VAL   3           HA       VAL   3   4.198   2.718   5.587
   22    HB   VAL   3           HB       VAL   3   3.490  -0.236   5.533
   23   HG11  VAL   3          1HG1      VAL   3   4.785   1.433   7.674
   24   HG12  VAL   3          2HG1      VAL   3   5.593   0.254   6.646
   25   HG13  VAL   3          3HG1      VAL   3   4.376  -0.277   7.808
   26   HG21  VAL   3          3HG2      VAL   3   1.999   0.218   7.438
   27   HG22  VAL   3          1HG2      VAL   3   1.473   1.066   5.981
   28   HG23  VAL   3          2HG2      VAL   3   2.312   1.943   7.265
   29    H    CYS   4           H        CYS   4   6.287   2.777   5.141
   30    HA   CYS   4           HA       CYS   4   7.305   1.102   2.980
   31    HB2  CYS   4           2HB      CYS   4   8.635   3.383   4.351
   32    HB3  CYS   4           1HB      CYS   4   9.147   2.610   2.867
   33    H    ARG   5           H        ARG   5   8.305  -0.499   3.387
   34    HA   ARG   5           HA       ARG   5   9.966  -0.811   5.788
   35    HB2  ARG   5           2HB      ARG   5   8.121  -2.964   4.686
   36    HB3  ARG   5           1HB      ARG   5   9.201  -3.139   6.049
   37    HG2  ARG   5           2HG      ARG   5   6.775  -1.355   5.927
   38    HG3  ARG   5           1HG      ARG   5   6.866  -2.922   6.727
   39    HD2  ARG   5           2HD      ARG   5   8.475  -0.474   7.450
   40    HD3  ARG   5           1HD      ARG   5   7.065  -1.072   8.319
   41    HE   ARG   5           HE       ARG   5   9.348  -2.857   8.016
   42   HH11  ARG   5          1HH1      ARG   5   7.407  -0.796  10.156
   43   HH12  ARG   5          2HH1      ARG   5   8.114  -1.383  11.583
   44   HH21  ARG   5          1HH2      ARG   5  10.346  -3.622   9.974
   45   HH22  ARG   5          2HH2      ARG   5   9.843  -2.999  11.474
   46    H    ARG   6           H        ARG   6  11.932  -1.467   5.185
   47    HA   ARG   6           HA       ARG   6  13.695  -2.147   3.967
   48    HB2  ARG   6           2HB      ARG   6  12.403  -4.348   4.122
   49    HB3  ARG   6           1HB      ARG   6  11.755  -3.997   2.533
   50    HG2  ARG   6           2HG      ARG   6  13.510  -5.557   2.220
   51    HG3  ARG   6           1HG      ARG   6  14.136  -3.998   1.684
   52    HD2  ARG   6           2HD      ARG   6  14.656  -5.245   4.387
   53    HD3  ARG   6           1HD      ARG   6  15.767  -5.307   3.025
   54    HE   ARG   6           HE       ARG   6  15.483  -2.689   3.305
   55   HH11  ARG   6          1HH1      ARG   6  16.096  -5.161   5.772
   56   HH12  ARG   6          2HH1      ARG   6  16.849  -4.103   6.855
   57   HH21  ARG   6          1HH2      ARG   6  16.525  -1.233   4.775
   58   HH22  ARG   6          2HH2      ARG   6  17.066  -1.780   6.282
   59    H    GLY   7           H        GLY   7  12.251   0.089   3.131
   60    HA2  GLY   7           2HA      GLY   7  12.432   1.657   1.462
   61    HA3  GLY   7           1HA      GLY   7  13.319   0.459   0.532
   62    H    VAL   8           H        VAL   8  10.538  -1.052   1.332
   63    HA   VAL   8           HA       VAL   8   9.267  -0.318  -1.208
   64    HB   VAL   8           HB       VAL   8   8.899  -2.816   0.481
   65   HG11  VAL   8          1HG1      VAL   8   6.906  -2.282  -0.811
   66   HG12  VAL   8          2HG1      VAL   8   7.696  -3.721  -1.458
   67   HG13  VAL   8          3HG1      VAL   8   7.868  -2.171  -2.284
   68   HG21  VAL   8          3HG2      VAL   8  10.409  -2.445  -2.101
   69   HG22  VAL   8          1HG2      VAL   8  10.125  -3.985  -1.291
   70   HG23  VAL   8          2HG2      VAL   8  11.120  -2.744  -0.517
   71    H    CYS   9           H        CYS   9   7.361   0.717  -1.137
   72    HA   CYS   9           HA       CYS   9   6.060   0.970   1.481
   73    HB2  CYS   9           2HB      CYS   9   5.792   2.784  -0.918
   74    HB3  CYS   9           1HB      CYS   9   5.210   3.084   0.715
   75    H    ARG  10           H        ARG  10   4.375  -0.207   1.753
   76    HA   ARG  10           HA       ARG  10   2.703  -0.891  -0.570
   77    HB2  ARG  10           2HB      ARG  10   3.680  -2.846   0.523
   78    HB3  ARG  10           1HB      ARG  10   3.081  -2.298   2.080
   79    HG2  ARG  10           2HG      ARG  10   1.659  -4.038   1.417
   80    HG3  ARG  10           1HG      ARG  10   0.753  -2.558   1.144
   81    HD2  ARG  10           2HD      ARG  10   2.166  -4.220  -0.953
   82    HD3  ARG  10           1HD      ARG  10   0.438  -4.179  -0.672
   83    HE   ARG  10           HE       ARG  10   2.069  -2.050  -1.885
   84   HH11  ARG  10          1HH1      ARG  10  -1.191  -3.240  -1.095
   85   HH12  ARG  10          2HH1      ARG  10  -1.949  -2.417  -2.364
   86   HH21  ARG  10          1HH2      ARG  10   0.994  -0.897  -3.615
   87   HH22  ARG  10          2HH2      ARG  10  -0.686  -1.077  -3.855
   88    H    CYS  11           H        CYS  11   0.475  -0.481  -0.410
   89    HA   CYS  11           HA       CYS  11  -0.221   1.288   1.785
   90    HB2  CYS  11           2HB      CYS  11  -1.450   0.994  -0.925
   91    HB3  CYS  11           1HB      CYS  11  -1.881   2.187   0.289
   92    H    VAL  12           H        VAL  12  -1.554   0.641   3.219
   93    HA   VAL  12           HA       VAL  12  -2.993  -1.825   2.892
   94    HB   VAL  12           HB       VAL  12  -2.079  -1.331   5.127
   95   HG11  VAL  12          1HG1      VAL  12  -2.948   0.490   6.533
   96   HG12  VAL  12          2HG1      VAL  12  -3.835   1.108   5.137
   97   HG13  VAL  12          3HG1      VAL  12  -2.073   1.069   5.115
   98   HG21  VAL  12          3HG2      VAL  12  -4.087  -1.635   6.526
   99   HG22  VAL  12          1HG2      VAL  12  -4.093  -2.674   5.101
  100   HG23  VAL  12          2HG2      VAL  12  -5.094  -1.224   5.136
  101    H    CYS  13           H        CYS  13  -5.130  -1.990   2.261
  102    HA   CYS  13           HA       CYS  13  -6.025   0.516   1.204
  103    HB2  CYS  13           2HB      CYS  13  -7.317  -0.787  -0.292
  104    HB3  CYS  13           1HB      CYS  13  -5.604  -1.151  -0.402
  105    H    ARG  14           H        ARG  14  -8.293   0.753   0.816
  106    HA   ARG  14           HA       ARG  14  -9.969   0.080   3.146
  107    HB2  ARG  14           2HB      ARG  14  -9.795   2.615   1.506
  108    HB3  ARG  14           1HB      ARG  14 -11.081   2.293   2.651
  109    HG2  ARG  14           2HG      ARG  14  -8.158   2.541   3.325
  110    HG3  ARG  14           1HG      ARG  14  -9.375   3.801   3.540
  111    HD2  ARG  14           2HD      ARG  14 -10.612   2.274   5.062
  112    HD3  ARG  14           1HD      ARG  14  -9.291   1.114   4.908
  113    HE   ARG  14           HE       ARG  14  -8.274   3.592   5.664
  114   HH11  ARG  14          1HH1      ARG  14 -10.178   0.952   7.042
  115   HH12  ARG  14          2HH1      ARG  14  -9.680   1.270   8.637
  116   HH21  ARG  14          1HH2      ARG  14  -7.664   4.055   7.902
  117   HH22  ARG  14          2HH2      ARG  14  -8.268   3.039   9.127
  118    H    ARG  15           H        ARG  15 -12.257   0.134   2.536
  119    HA   ARG  15           HA       ARG  15 -12.769  -1.293   0.116
  120    HB2  ARG  15           2HB      ARG  15 -13.848  -1.794   2.354
  121    HB3  ARG  15           1HB      ARG  15 -14.732  -0.285   2.190
  122    HG2  ARG  15           2HG      ARG  15 -16.195  -2.067   1.559
  123    HG3  ARG  15           1HG      ARG  15 -15.743  -1.204   0.088
  124    HD2  ARG  15           2HD      ARG  15 -15.677  -3.628  -0.241
  125    HD3  ARG  15           1HD      ARG  15 -14.072  -2.918  -0.420
  126    HE   ARG  15           HE       ARG  15 -14.495  -3.727   2.244
  127   HH11  ARG  15          1HH1      ARG  15 -13.930  -5.211  -0.922
  128   HH12  ARG  15          2HH1      ARG  15 -13.026  -6.502  -0.303
  129   HH21  ARG  15          1HH2      ARG  15 -13.322  -5.529   3.095
  130   HH22  ARG  15          2HH2      ARG  15 -12.702  -6.720   2.073
  131    H    GLY  16           H        GLY  16 -11.952   0.591  -0.848
  132    HA2  GLY  16           2HA      GLY  16 -13.809   2.006  -2.422
  133    HA3  GLY  16           1HA      GLY  16 -13.280   3.098  -1.144
  134    H    VAL  17           H        VAL  17 -10.606   1.686  -1.112
  135    HA   VAL  17           HA       VAL  17  -9.537   2.287  -3.670
  136    HB   VAL  17           HB       VAL  17  -9.393   4.497  -2.653
  137   HG11  VAL  17          1HG1      VAL  17  -9.594   3.984  -0.317
  138   HG12  VAL  17          2HG1      VAL  17  -8.152   4.968  -0.593
  139   HG13  VAL  17          3HG1      VAL  17  -7.996   3.237  -0.311
  140   HG21  VAL  17          3HG2      VAL  17  -7.501   3.857  -4.028
  141   HG22  VAL  17          1HG2      VAL  17  -6.690   3.153  -2.628
  142   HG23  VAL  17          2HG2      VAL  17  -6.962   4.895  -2.709
  143    H    CYS  18           H        CYS  18  -8.898   0.250  -3.935
  144    HA   CYS  18           HA       CYS  18  -6.753  -0.655  -2.237
  145    HB2  CYS  18           2HB      CYS  18  -8.914  -1.677  -1.330
  146    HB3  CYS  18           1HB      CYS  18  -9.107  -2.458  -2.887
  Start of MODEL   13
    1    H1   ARG   1           1HT      ARG   1  -2.860   5.185   5.048
    2    H2   ARG   1           2HT      ARG   1  -1.726   6.315   4.554
    3    H3   ARG   1           3HT      ARG   1  -2.818   6.717   5.747
    4    HA   ARG   1           HA       ARG   1  -0.593   6.226   6.585
    5    HB2  ARG   1           2HB      ARG   1  -2.745   4.250   7.385
    6    HB3  ARG   1           1HB      ARG   1  -1.235   4.453   8.263
    7    HG2  ARG   1           2HG      ARG   1  -1.806   6.801   8.666
    8    HG3  ARG   1           1HG      ARG   1  -3.340   6.559   7.831
    9    HD2  ARG   1           2HD      ARG   1  -4.047   4.986   9.507
   10    HD3  ARG   1           1HD      ARG   1  -2.452   5.027  10.266
   11    HE   ARG   1           HE       ARG   1  -3.635   7.599  10.085
   12   HH11  ARG   1          1HH1      ARG   1  -3.719   4.636  12.016
   13   HH12  ARG   1          2HH1      ARG   1  -4.058   5.421  13.479
   14   HH21  ARG   1          1HH2      ARG   1  -4.118   8.689  12.101
   15   HH22  ARG   1          2HH2      ARG   1  -4.321   7.780  13.518
   16    H    CYS   2           H        CYS   2   0.465   5.642   4.579
   17    HA   CYS   2           HA       CYS   2   0.736   2.781   4.172
   18    HB2  CYS   2           2HB      CYS   2   1.580   5.099   2.421
   19    HB3  CYS   2           1HB      CYS   2   1.555   3.397   1.967
   20    H    VAL   3           H        VAL   3   2.586   1.800   4.704
   21    HA   VAL   3           HA       VAL   3   4.806   3.442   5.692
   22    HB   VAL   3           HB       VAL   3   3.874   0.657   6.472
   23   HG11  VAL   3          1HG1      VAL   3   6.331   0.857   6.568
   24   HG12  VAL   3          2HG1      VAL   3   5.601   0.640   8.153
   25   HG13  VAL   3          3HG1      VAL   3   6.158   2.236   7.661
   26   HG21  VAL   3          3HG2      VAL   3   2.443   2.395   7.368
   27   HG22  VAL   3          1HG2      VAL   3   3.847   3.252   8.006
   28   HG23  VAL   3          2HG2      VAL   3   3.408   1.682   8.659
   29    H    CYS   4           H        CYS   4   6.621   3.256   4.466
   30    HA   CYS   4           HA       CYS   4   6.829   0.889   2.755
   31    HB2  CYS   4           2HB      CYS   4   8.123   3.558   2.297
   32    HB3  CYS   4           1HB      CYS   4   8.132   2.181   1.217
   33    H    ARG   5           H        ARG   5   8.411  -0.339   2.957
   34    HA   ARG   5           HA       ARG   5  10.790   0.498   4.460
   35    HB2  ARG   5           2HB      ARG   5   9.357  -2.161   4.736
   36    HB3  ARG   5           1HB      ARG   5  10.897  -1.763   5.475
   37    HG2  ARG   5           2HG      ARG   5   9.811  -0.041   6.826
   38    HG3  ARG   5           1HG      ARG   5   8.269  -0.420   6.061
   39    HD2  ARG   5           2HD      ARG   5   8.413  -2.712   6.932
   40    HD3  ARG   5           1HD      ARG   5   9.935  -2.308   7.723
   41    HE   ARG   5           HE       ARG   5   8.249  -0.449   8.680
   42   HH11  ARG   5          1HH1      ARG   5   8.076  -3.997   8.566
   43   HH12  ARG   5          2HH1      ARG   5   7.113  -4.134   9.954
   44   HH21  ARG   5          1HH2      ARG   5   6.968  -0.645  10.602
   45   HH22  ARG   5          2HH2      ARG   5   6.481  -2.176  11.155
   46    H    ARG   6           H        ARG   6  12.240   0.563   2.913
   47    HA   ARG   6           HA       ARG   6  13.679  -0.015   1.275
   48    HB2  ARG   6           2HB      ARG   6  14.053  -1.932   2.909
   49    HB3  ARG   6           1HB      ARG   6  12.968  -2.891   1.919
   50    HG2  ARG   6           2HG      ARG   6  14.509  -2.633   0.015
   51    HG3  ARG   6           1HG      ARG   6  15.607  -1.718   1.042
   52    HD2  ARG   6           2HD      ARG   6  15.733  -3.692   2.556
   53    HD3  ARG   6           1HD      ARG   6  14.767  -4.580   1.379
   54    HE   ARG   6           HE       ARG   6  17.053  -3.405   0.189
   55   HH11  ARG   6          1HH1      ARG   6  15.990  -6.170   2.100
   56   HH12  ARG   6          2HH1      ARG   6  17.299  -7.168   1.672
   57   HH21  ARG   6          1HH2      ARG   6  18.881  -4.795  -0.427
   58   HH22  ARG   6          2HH2      ARG   6  18.951  -6.377   0.211
   59    H    GLY   7           H        GLY   7  11.105   0.614   0.455
   60    HA2  GLY   7           2HA      GLY   7  10.358   0.778  -1.754
   61    HA3  GLY   7           1HA      GLY   7  11.119  -0.776  -2.051
   62    H    VAL   8           H        VAL   8   9.766  -1.745   0.527
   63    HA   VAL   8           HA       VAL   8   7.357  -2.618  -0.823
   64    HB   VAL   8           HB       VAL   8   8.439  -3.418   1.899
   65   HG11  VAL   8          1HG1      VAL   8   6.295  -4.699   0.200
   66   HG12  VAL   8          2HG1      VAL   8   6.034  -3.805   1.697
   67   HG13  VAL   8          3HG1      VAL   8   6.918  -5.332   1.723
   68   HG21  VAL   8          3HG2      VAL   8   8.654  -4.835  -0.755
   69   HG22  VAL   8          1HG2      VAL   8   9.194  -5.468   0.800
   70   HG23  VAL   8          2HG2      VAL   8   9.967  -4.037   0.116
   71    H    CYS   9           H        CYS   9   5.774  -1.196  -0.751
   72    HA   CYS   9           HA       CYS   9   5.278   0.265   1.719
   73    HB2  CYS   9           2HB      CYS   9   4.079   0.596  -1.041
   74    HB3  CYS   9           1HB      CYS   9   3.699   1.597   0.360
   75    H    ARG  10           H        ARG  10   3.846  -0.334   3.066
   76    HA   ARG  10           HA       ARG  10   1.763  -2.210   2.226
   77    HB2  ARG  10           2HB      ARG  10   3.606  -3.210   3.610
   78    HB3  ARG  10           1HB      ARG  10   3.227  -2.063   4.879
   79    HG2  ARG  10           2HG      ARG  10   1.080  -3.053   5.202
   80    HG3  ARG  10           1HG      ARG  10   1.316  -4.135   3.822
   81    HD2  ARG  10           2HD      ARG  10   3.281  -5.097   4.983
   82    HD3  ARG  10           1HD      ARG  10   2.922  -4.076   6.373
   83    HE   ARG  10           HE       ARG  10   0.661  -5.297   6.228
   84   HH11  ARG  10          1HH1      ARG  10   3.837  -6.768   5.578
   85   HH12  ARG  10          2HH1      ARG  10   3.438  -8.293   6.195
   86   HH21  ARG  10          1HH2      ARG  10   0.090  -7.445   7.057
   87   HH22  ARG  10          2HH2      ARG  10   1.230  -8.703   7.023
   88    H    CYS  11           H        CYS  11  -0.243  -1.409   2.651
   89    HA   CYS  11           HA       CYS  11  -0.508   0.785   4.551
   90    HB2  CYS  11           2HB      CYS  11   0.134   1.653   2.291
   91    HB3  CYS  11           1HB      CYS  11  -1.368   0.943   1.695
   92    H    VAL  12           H        VAL  12  -2.436   0.758   5.421
   93    HA   VAL  12           HA       VAL  12  -4.252  -1.341   4.699
   94    HB   VAL  12           HB       VAL  12  -3.919  -0.984   7.091
   95   HG11  VAL  12          1HG1      VAL  12  -4.681   0.989   8.295
   96   HG12  VAL  12          2HG1      VAL  12  -5.112   1.758   6.771
   97   HG13  VAL  12          3HG1      VAL  12  -3.424   1.408   7.127
   98   HG21  VAL  12          3HG2      VAL  12  -6.716  -0.236   6.266
   99   HG22  VAL  12          1HG2      VAL  12  -6.253  -0.830   7.858
  100   HG23  VAL  12          2HG2      VAL  12  -6.069  -1.866   6.443
  101    H    CYS  13           H        CYS  13  -5.137  -0.945   2.830
  102    HA   CYS  13           HA       CYS  13  -6.454   1.603   2.379
  103    HB2  CYS  13           2HB      CYS  13  -6.406   0.819   0.036
  104    HB3  CYS  13           1HB      CYS  13  -4.822   1.135   0.735
  105    H    ARG  14           H        ARG  14  -8.348   1.125   0.634
  106    HA   ARG  14           HA       ARG  14 -10.049  -0.918   1.897
  107    HB2  ARG  14           2HB      ARG  14 -10.980   1.535   0.389
  108    HB3  ARG  14           1HB      ARG  14 -11.939   0.474   1.406
  109    HG2  ARG  14           2HG      ARG  14  -9.824   2.403   2.364
  110    HG3  ARG  14           1HG      ARG  14 -11.568   2.639   2.458
  111    HD2  ARG  14           2HD      ARG  14 -11.754   0.742   3.968
  112    HD3  ARG  14           1HD      ARG  14 -10.022   0.434   3.797
  113    HE   ARG  14           HE       ARG  14 -10.674   3.069   4.712
  114   HH11  ARG  14          1HH1      ARG  14  -9.957  -0.234   5.750
  115   HH12  ARG  14          2HH1      ARG  14  -9.435   0.218   7.309
  116   HH21  ARG  14          1HH2      ARG  14  -9.945   3.693   6.850
  117   HH22  ARG  14          2HH2      ARG  14  -9.414   2.524   7.945
  118    H    ARG  15           H        ARG  15 -11.364  -2.058   0.298
  119    HA   ARG  15           HA       ARG  15  -9.970  -2.340  -2.177
  120    HB2  ARG  15           2HB      ARG  15 -10.857  -4.308  -0.816
  121    HB3  ARG  15           1HB      ARG  15 -12.466  -3.835  -1.345
  122    HG2  ARG  15           2HG      ARG  15 -11.824  -4.125  -3.662
  123    HG3  ARG  15           1HG      ARG  15 -10.189  -4.552  -3.163
  124    HD2  ARG  15           2HD      ARG  15 -11.151  -6.496  -1.929
  125    HD3  ARG  15           1HD      ARG  15 -12.720  -6.087  -2.629
  126    HE   ARG  15           HE       ARG  15 -10.810  -6.222  -4.648
  127   HH11  ARG  15          1HH1      ARG  15 -12.562  -8.416  -2.499
  128   HH12  ARG  15          2HH1      ARG  15 -12.434  -9.756  -3.547
  129   HH21  ARG  15          1HH2      ARG  15 -10.681  -8.006  -6.074
  130   HH22  ARG  15          2HH2      ARG  15 -11.343  -9.510  -5.641
  131    H    GLY  16           H        GLY  16 -10.482  -0.284  -2.485
  132    HA2  GLY  16           2HA      GLY  16 -12.203   0.221  -4.649
  133    HA3  GLY  16           1HA      GLY  16 -12.953   0.873  -3.188
  134    H    VAL  17           H        VAL  17 -10.286   1.390  -1.928
  135    HA   VAL  17           HA       VAL  17  -9.130   3.325  -3.674
  136    HB   VAL  17           HB       VAL  17 -10.646   4.758  -2.448
  137   HG11  VAL  17          1HG1      VAL  17 -10.724   4.890  -0.002
  138   HG12  VAL  17          2HG1      VAL  17  -9.662   3.482   0.094
  139   HG13  VAL  17          3HG1      VAL  17 -11.272   3.335  -0.621
  140   HG21  VAL  17          3HG2      VAL  17  -9.109   6.189  -1.131
  141   HG22  VAL  17          1HG2      VAL  17  -8.446   5.715  -2.700
  142   HG23  VAL  17          2HG2      VAL  17  -7.909   4.910  -1.236
  143    H    CYS  18           H        CYS  18  -7.449   2.001  -3.901
  144    HA   CYS  18           HA       CYS  18  -5.620   1.845  -1.657
  145    HB2  CYS  18           2HB      CYS  18  -6.950  -0.336  -1.810
  146    HB3  CYS  18           1HB      CYS  18  -6.269  -0.550  -3.411
  Start of MODEL   14
    1    H1   ARG   1           1HT      ARG   1  -3.299   3.110   5.885
    2    H2   ARG   1           2HT      ARG   1  -3.639   4.142   4.583
    3    H3   ARG   1           3HT      ARG   1  -4.043   4.616   6.153
    4    HA   ARG   1           HA       ARG   1  -2.068   5.701   5.261
    5    HB2  ARG   1           2HB      ARG   1  -2.350   5.186   7.760
    6    HB3  ARG   1           1HB      ARG   1  -1.369   3.756   7.504
    7    HG2  ARG   1           2HG      ARG   1   0.492   5.209   6.771
    8    HG3  ARG   1           1HG      ARG   1  -0.505   6.614   7.129
    9    HD2  ARG   1           2HD      ARG   1   1.024   6.180   8.959
   10    HD3  ARG   1           1HD      ARG   1  -0.636   5.890   9.476
   11    HE   ARG   1           HE       ARG   1  -0.212   3.524   9.260
   12   HH11  ARG   1          1HH1      ARG   1   2.703   5.558   9.323
   13   HH12  ARG   1          2HH1      ARG   1   3.686   4.308   9.929
   14   HH21  ARG   1          1HH2      ARG   1   1.146   1.877  10.099
   15   HH22  ARG   1          2HH2      ARG   1   2.801   2.190  10.388
   16    H    CYS   2           H        CYS   2   0.337   5.259   4.848
   17    HA   CYS   2           HA       CYS   2   0.674   2.641   3.615
   18    HB2  CYS   2           2HB      CYS   2   0.295   4.413   1.922
   19    HB3  CYS   2           1HB      CYS   2   1.660   5.305   2.590
   20    H    VAL   3           H        VAL   3   2.734   1.752   3.802
   21    HA   VAL   3           HA       VAL   3   4.625   3.301   5.351
   22    HB   VAL   3           HB       VAL   3   3.379   2.048   7.028
   23   HG11  VAL   3          1HG1      VAL   3   4.095  -0.420   5.476
   24   HG12  VAL   3          2HG1      VAL   3   2.488   0.268   5.696
   25   HG13  VAL   3          3HG1      VAL   3   3.358  -0.406   7.079
   26   HG21  VAL   3          3HG2      VAL   3   6.119   0.849   6.584
   27   HG22  VAL   3          1HG2      VAL   3   5.210   0.787   8.093
   28   HG23  VAL   3          2HG2      VAL   3   5.757   2.338   7.454
   29    H    CYS   4           H        CYS   4   6.654   2.999   4.762
   30    HA   CYS   4           HA       CYS   4   7.223   0.872   2.833
   31    HB2  CYS   4           2HB      CYS   4   8.768   3.405   3.315
   32    HB3  CYS   4           1HB      CYS   4   9.061   2.225   2.060
   33    H    ARG   5           H        ARG   5   8.542  -0.560   3.363
   34    HA   ARG   5           HA       ARG   5  10.336  -0.235   5.660
   35    HB2  ARG   5           2HB      ARG   5   8.116  -1.294   6.344
   36    HB3  ARG   5           1HB      ARG   5   8.555  -2.659   5.328
   37    HG2  ARG   5           2HG      ARG   5   9.118  -3.248   7.543
   38    HG3  ARG   5           1HG      ARG   5  10.628  -2.877   6.705
   39    HD2  ARG   5           2HD      ARG   5  10.684  -1.868   8.901
   40    HD3  ARG   5           1HD      ARG   5  10.572  -0.602   7.685
   41    HE   ARG   5           HE       ARG   5   8.022  -1.438   8.702
   42   HH11  ARG   5          1HH1      ARG   5  10.688   0.822   9.236
   43   HH12  ARG   5          2HH1      ARG   5   9.805   1.845  10.264
   44   HH21  ARG   5          1HH2      ARG   5   6.816  -0.032  10.086
   45   HH22  ARG   5          2HH2      ARG   5   7.544   1.365  10.761
   46    H    ARG   6           H        ARG   6  12.266  -0.631   4.789
   47    HA   ARG   6           HA       ARG   6  13.957  -1.429   3.551
   48    HB2  ARG   6           2HB      ARG   6  13.532  -3.459   4.940
   49    HB3  ARG   6           1HB      ARG   6  12.428  -4.057   3.706
   50    HG2  ARG   6           2HG      ARG   6  14.304  -4.178   2.124
   51    HG3  ARG   6           1HG      ARG   6  15.388  -3.608   3.387
   52    HD2  ARG   6           2HD      ARG   6  15.047  -5.560   4.673
   53    HD3  ARG   6           1HD      ARG   6  13.711  -6.083   3.646
   54    HE   ARG   6           HE       ARG   6  15.746  -5.911   1.919
   55   HH11  ARG   6          1HH1      ARG   6  15.618  -7.511   5.067
   56   HH12  ARG   6          2HH1      ARG   6  16.530  -8.860   4.572
   57   HH21  ARG   6          1HH2      ARG   6  17.007  -7.747   1.251
   58   HH22  ARG   6          2HH2      ARG   6  17.347  -9.001   2.350
   59    H    GLY   7           H        GLY   7  12.000  -0.113   2.161
   60    HA2  GLY   7           2HA      GLY   7  12.021   0.484  -0.080
   61    HA3  GLY   7           1HA      GLY   7  12.533  -1.156  -0.451
   62    H    VAL   8           H        VAL   8  10.233  -1.991   1.475
   63    HA   VAL   8           HA       VAL   8   8.329  -2.235  -0.687
   64    HB   VAL   8           HB       VAL   8   8.340  -3.495   2.059
   65   HG11  VAL   8          1HG1      VAL   8   6.574  -4.043  -0.332
   66   HG12  VAL   8          2HG1      VAL   8   6.070  -3.352   1.207
   67   HG13  VAL   8          3HG1      VAL   8   6.626  -5.024   1.135
   68   HG21  VAL   8          3HG2      VAL   8   9.094  -4.598  -0.639
   69   HG22  VAL   8          1HG2      VAL   8   9.003  -5.546   0.845
   70   HG23  VAL   8          2HG2      VAL   8  10.193  -4.252   0.692
   71    H    CYS   9           H        CYS   9   7.121  -0.549  -0.932
   72    HA   CYS   9           HA       CYS   9   5.917   0.789   1.353
   73    HB2  CYS   9           2HB      CYS   9   5.874   1.468  -1.590
   74    HB3  CYS   9           1HB      CYS   9   5.105   2.410  -0.312
   75    H    ARG  10           H        ARG  10   4.249  -0.141   2.100
   76    HA   ARG  10           HA       ARG  10   2.353  -1.327   0.237
   77    HB2  ARG  10           2HB      ARG  10   3.294  -2.929   1.855
   78    HB3  ARG  10           1HB      ARG  10   2.785  -1.897   3.181
   79    HG2  ARG  10           2HG      ARG  10   1.284  -3.792   2.909
   80    HG3  ARG  10           1HG      ARG  10   0.447  -2.274   2.600
   81    HD2  ARG  10           2HD      ARG  10  -0.201  -3.935   0.950
   82    HD3  ARG  10           1HD      ARG  10   0.711  -2.638   0.187
   83    HE   ARG  10           HE       ARG  10   2.340  -4.859   0.951
   84   HH11  ARG  10          1HH1      ARG  10   0.218  -3.621  -1.622
   85   HH12  ARG  10          2HH1      ARG  10   0.858  -4.666  -2.813
   86   HH21  ARG  10          1HH2      ARG  10   3.229  -6.253  -0.770
   87   HH22  ARG  10          2HH2      ARG  10   2.565  -6.142  -2.335
   88    H    CYS  11           H        CYS  11   1.026   0.296  -0.235
   89    HA   CYS  11           HA       CYS  11  -0.058   1.900   1.936
   90    HB2  CYS  11           2HB      CYS  11  -0.603   2.089  -1.011
   91    HB3  CYS  11           1HB      CYS  11  -0.943   3.298   0.210
   92    H    VAL  12           H        VAL  12  -1.761   1.044   2.852
   93    HA   VAL  12           HA       VAL  12  -3.225  -1.043   1.502
   94    HB   VAL  12           HB       VAL  12  -2.640  -1.269   3.911
   95   HG11  VAL  12          1HG1      VAL  12  -3.872  -0.019   5.614
   96   HG12  VAL  12          2HG1      VAL  12  -4.560   0.991   4.343
   97   HG13  VAL  12          3HG1      VAL  12  -2.822   1.007   4.637
   98   HG21  VAL  12          3HG2      VAL  12  -5.606  -1.200   3.395
   99   HG22  VAL  12          1HG2      VAL  12  -4.821  -2.057   4.717
  100   HG23  VAL  12          2HG2      VAL  12  -4.522  -2.546   3.046
  101    H    CYS  13           H        CYS  13  -5.306  -0.923   0.813
  102    HA   CYS  13           HA       CYS  13  -6.320   1.729   0.318
  103    HB2  CYS  13           2HB      CYS  13  -7.252  -0.978  -0.601
  104    HB3  CYS  13           1HB      CYS  13  -7.784   0.565  -1.218
  105    H    ARG  14           H        ARG  14  -8.731   1.988   0.573
  106    HA   ARG  14           HA       ARG  14  -9.506   0.868   3.137
  107    HB2  ARG  14           2HB      ARG  14 -10.682   3.167   1.559
  108    HB3  ARG  14           1HB      ARG  14 -11.276   2.594   3.110
  109    HG2  ARG  14           2HG      ARG  14  -9.104   3.172   4.134
  110    HG3  ARG  14           1HG      ARG  14  -8.574   3.801   2.576
  111    HD2  ARG  14           2HD      ARG  14  -9.342   5.610   4.013
  112    HD3  ARG  14           1HD      ARG  14 -10.388   5.427   2.607
  113    HE   ARG  14           HE       ARG  14 -11.570   3.924   4.543
  114   HH11  ARG  14          1HH1      ARG  14 -10.624   7.320   4.263
  115   HH12  ARG  14          2HH1      ARG  14 -11.826   7.915   5.295
  116   HH21  ARG  14          1HH2      ARG  14 -13.284   4.730   5.951
  117   HH22  ARG  14          2HH2      ARG  14 -13.433   6.409   6.231
  118    H    ARG  15           H        ARG  15 -10.106  -1.087   2.611
  119    HA   ARG  15           HA       ARG  15 -11.097  -2.830   1.687
  120    HB2  ARG  15           2HB      ARG  15 -12.532  -2.041   3.417
  121    HB3  ARG  15           1HB      ARG  15 -13.294  -0.934   2.294
  122    HG2  ARG  15           2HG      ARG  15 -14.250  -2.912   1.108
  123    HG3  ARG  15           1HG      ARG  15 -13.426  -3.966   2.256
  124    HD2  ARG  15           2HD      ARG  15 -15.543  -1.937   2.936
  125    HD3  ARG  15           1HD      ARG  15 -15.772  -3.682   2.817
  126    HE   ARG  15           HE       ARG  15 -13.774  -3.408   4.637
  127   HH11  ARG  15          1HH1      ARG  15 -17.091  -2.151   4.425
  128   HH12  ARG  15          2HH1      ARG  15 -17.320  -2.084   6.096
  129   HH21  ARG  15          1HH2      ARG  15 -14.115  -3.293   6.977
  130   HH22  ARG  15          2HH2      ARG  15 -15.611  -2.722   7.566
  131    H    GLY  16           H        GLY  16  -9.986  -1.908  -0.343
  132    HA2  GLY  16           2HA      GLY  16 -10.155  -2.419  -2.640
  133    HA3  GLY  16           1HA      GLY  16 -11.898  -2.356  -2.482
  134    H    VAL  17           H        VAL  17 -10.994   0.435  -1.022
  135    HA   VAL  17           HA       VAL  17 -11.179   1.850  -3.545
  136    HB   VAL  17           HB       VAL  17 -12.295   2.714  -0.861
  137   HG11  VAL  17          1HG1      VAL  17 -12.578   3.948  -3.598
  138   HG12  VAL  17          2HG1      VAL  17 -11.617   4.586  -2.268
  139   HG13  VAL  17          3HG1      VAL  17 -13.373   4.515  -2.130
  140   HG21  VAL  17          3HG2      VAL  17 -13.733   1.690  -3.309
  141   HG22  VAL  17          1HG2      VAL  17 -14.513   2.338  -1.865
  142   HG23  VAL  17          2HG2      VAL  17 -13.574   0.844  -1.772
  143    H    CYS  18           H        CYS  18  -9.174   2.284  -3.840
  144    HA   CYS  18           HA       CYS  18  -8.057   4.422  -2.220
  145    HB2  CYS  18           2HB      CYS  18  -5.763   3.435  -2.464
  146    HB3  CYS  18           1HB      CYS  18  -6.844   2.510  -1.435
  Start of MODEL   15
    1    H1   ARG   1           1HT      ARG   1  -2.517   5.147   5.917
    2    H2   ARG   1           2HT      ARG   1  -2.406   6.056   7.319
    3    H3   ARG   1           3HT      ARG   1  -1.930   4.430   7.316
    4    HA   ARG   1           HA       ARG   1  -0.650   6.576   5.732
    5    HB2  ARG   1           2HB      ARG   1   1.301   6.302   7.188
    6    HB3  ARG   1           1HB      ARG   1  -0.096   6.711   8.171
    7    HG2  ARG   1           2HG      ARG   1  -0.294   4.464   8.939
    8    HG3  ARG   1           1HG      ARG   1   0.932   3.900   7.799
    9    HD2  ARG   1           2HD      ARG   1   1.895   4.060  10.005
   10    HD3  ARG   1           1HD      ARG   1   2.579   5.310   8.982
   11    HE   ARG   1           HE       ARG   1   0.767   6.762  10.096
   12   HH11  ARG   1          1HH1      ARG   1   2.488   4.144  11.770
   13   HH12  ARG   1          2HH1      ARG   1   2.468   4.954  13.280
   14   HH21  ARG   1          1HH2      ARG   1   0.768   7.813  12.149
   15   HH22  ARG   1          2HH2      ARG   1   1.480   7.053  13.502
   16    H    CYS   2           H        CYS   2   1.549   5.683   4.988
   17    HA   CYS   2           HA       CYS   2   1.136   2.975   3.979
   18    HB2  CYS   2           2HB      CYS   2   2.921   5.188   2.927
   19    HB3  CYS   2           1HB      CYS   2   2.724   3.596   2.200
   20    H    VAL   3           H        VAL   3   2.493   1.406   4.568
   21    HA   VAL   3           HA       VAL   3   4.562   2.197   6.466
   22    HB   VAL   3           HB       VAL   3   3.390  -0.549   5.914
   23   HG11  VAL   3          1HG1      VAL   3   5.645  -0.647   6.827
   24   HG12  VAL   3          2HG1      VAL   3   4.471  -1.198   8.021
   25   HG13  VAL   3          3HG1      VAL   3   5.170   0.417   8.152
   26   HG21  VAL   3          3HG2      VAL   3   2.179  -0.292   8.032
   27   HG22  VAL   3          1HG2      VAL   3   1.692   0.933   6.861
   28   HG23  VAL   3          2HG2      VAL   3   2.784   1.357   8.177
   29    H    CYS   4           H        CYS   4   6.399   2.509   5.462
   30    HA   CYS   4           HA       CYS   4   7.042   0.922   3.117
   31    HB2  CYS   4           2HB      CYS   4   8.571   3.198   4.323
   32    HB3  CYS   4           1HB      CYS   4   8.810   2.489   2.740
   33    H    ARG   5           H        ARG   5   8.305  -0.576   3.097
   34    HA   ARG   5           HA       ARG   5  10.200  -1.008   5.256
   35    HB2  ARG   5           2HB      ARG   5   9.479  -3.353   5.552
   36    HB3  ARG   5           1HB      ARG   5   8.201  -2.231   5.973
   37    HG2  ARG   5           2HG      ARG   5   7.121  -2.664   3.801
   38    HG3  ARG   5           1HG      ARG   5   8.399  -3.810   3.406
   39    HD2  ARG   5           2HD      ARG   5   6.546  -5.077   4.197
   40    HD3  ARG   5           1HD      ARG   5   7.757  -5.082   5.472
   41    HE   ARG   5           HE       ARG   5   5.395  -3.330   5.460
   42   HH11  ARG   5          1HH1      ARG   5   7.647  -5.415   7.262
   43   HH12  ARG   5          2HH1      ARG   5   6.804  -5.249   8.732
   44   HH21  ARG   5          1HH2      ARG   5   4.254  -3.169   7.497
   45   HH22  ARG   5          2HH2      ARG   5   4.887  -3.970   8.875
   46    H    ARG   6           H        ARG   6  12.045  -1.199   4.302
   47    HA   ARG   6           HA       ARG   6  13.682  -1.590   2.840
   48    HB2  ARG   6           2HB      ARG   6  13.303  -3.840   3.806
   49    HB3  ARG   6           1HB      ARG   6  12.191  -4.205   2.506
   50    HG2  ARG   6           2HG      ARG   6  14.414  -5.257   2.258
   51    HG3  ARG   6           1HG      ARG   6  13.966  -4.228   0.898
   52    HD2  ARG   6           2HD      ARG   6  16.329  -3.998   1.611
   53    HD3  ARG   6           1HD      ARG   6  15.427  -2.487   1.668
   54    HE   ARG   6           HE       ARG   6  15.197  -3.182   4.168
   55   HH11  ARG   6          1HH1      ARG   6  18.095  -3.685   2.180
   56   HH12  ARG   6          2HH1      ARG   6  19.179  -3.386   3.456
   57   HH21  ARG   6          1HH2      ARG   6  16.685  -2.730   5.884
   58   HH22  ARG   6          2HH2      ARG   6  18.358  -2.819   5.611
   59    H    GLY   7           H        GLY   7  11.904   0.066   1.724
   60    HA2  GLY   7           2HA      GLY   7  12.051   1.045  -0.371
   61    HA3  GLY   7           1HA      GLY   7  12.416  -0.546  -1.022
   62    H    VAL   8           H        VAL   8   9.842  -1.390   0.647
   63    HA   VAL   8           HA       VAL   8   8.092  -0.496  -1.518
   64    HB   VAL   8           HB       VAL   8   8.488  -2.955  -1.486
   65   HG11  VAL   8          1HG1      VAL   8   7.424  -4.372   0.202
   66   HG12  VAL   8          2HG1      VAL   8   7.059  -2.932   1.149
   67   HG13  VAL   8          3HG1      VAL   8   8.735  -3.388   0.848
   68   HG21  VAL   8          3HG2      VAL   8   6.465  -2.122  -2.506
   69   HG22  VAL   8          1HG2      VAL   8   5.645  -2.143  -0.944
   70   HG23  VAL   8          2HG2      VAL   8   6.142  -3.658  -1.696
   71    H    CYS   9           H        CYS   9   6.370   0.685  -1.089
   72    HA   CYS   9           HA       CYS   9   5.702   1.070   1.729
   73    HB2  CYS   9           2HB      CYS   9   5.149   2.837  -0.652
   74    HB3  CYS   9           1HB      CYS   9   4.618   3.171   0.992
   75    H    ARG  10           H        ARG  10   4.131  -0.032   2.494
   76    HA   ARG  10           HA       ARG  10   2.064  -0.929   0.660
   77    HB2  ARG  10           2HB      ARG  10   3.228  -2.613   2.104
   78    HB3  ARG  10           1HB      ARG  10   2.621  -1.774   3.521
   79    HG2  ARG  10           2HG      ARG  10   1.255  -3.716   3.089
   80    HG3  ARG  10           1HG      ARG  10   0.301  -2.264   2.777
   81    HD2  ARG  10           2HD      ARG  10   0.754  -2.506   0.370
   82    HD3  ARG  10           1HD      ARG  10   1.691  -3.960   0.698
   83    HE   ARG  10           HE       ARG  10  -1.095  -3.899   1.554
   84   HH11  ARG  10          1HH1      ARG  10   1.334  -5.127  -0.739
   85   HH12  ARG  10          2HH1      ARG  10   0.305  -6.288  -1.421
   86   HH21  ARG  10          1HH2      ARG  10  -2.515  -5.518   0.590
   87   HH22  ARG  10          2HH2      ARG  10  -1.930  -6.522  -0.650
   88    H    CYS  11           H        CYS  11   0.528   0.527   0.507
   89    HA   CYS  11           HA       CYS  11  -0.181   2.157   2.794
   90    HB2  CYS  11           2HB      CYS  11  -1.248   2.144  -0.029
   91    HB3  CYS  11           1HB      CYS  11  -1.582   3.352   1.205
   92    H    VAL  12           H        VAL  12  -1.952   1.862   3.983
   93    HA   VAL  12           HA       VAL  12  -3.367  -0.578   3.602
   94    HB   VAL  12           HB       VAL  12  -3.979   1.697   5.530
   95   HG11  VAL  12          1HG1      VAL  12  -4.943  -1.171   5.524
   96   HG12  VAL  12          2HG1      VAL  12  -5.915   0.243   5.127
   97   HG13  VAL  12          3HG1      VAL  12  -5.295   0.035   6.764
   98   HG21  VAL  12          3HG2      VAL  12  -2.457  -0.876   5.962
   99   HG22  VAL  12          1HG2      VAL  12  -2.882   0.287   7.218
  100   HG23  VAL  12          2HG2      VAL  12  -1.772   0.748   5.928
  101    H    CYS  13           H        CYS  13  -4.358  -0.575   1.808
  102    HA   CYS  13           HA       CYS  13  -5.749   1.545   0.617
  103    HB2  CYS  13           2HB      CYS  13  -6.599  -0.270  -0.833
  104    HB3  CYS  13           1HB      CYS  13  -4.853  -0.150  -0.737
  105    H    ARG  14           H        ARG  14  -8.087   1.166  -0.042
  106    HA   ARG  14           HA       ARG  14  -9.573   0.578   2.448
  107    HB2  ARG  14           2HB      ARG  14 -10.361   2.600   0.342
  108    HB3  ARG  14           1HB      ARG  14 -11.084   2.372   1.922
  109    HG2  ARG  14           2HG      ARG  14  -8.334   3.467   1.343
  110    HG3  ARG  14           1HG      ARG  14  -9.729   4.378   1.905
  111    HD2  ARG  14           2HD      ARG  14  -9.695   3.134   4.021
  112    HD3  ARG  14           1HD      ARG  14  -8.330   2.179   3.432
  113    HE   ARG  14           HE       ARG  14  -7.866   4.986   3.341
  114   HH11  ARG  14          1HH1      ARG  14  -7.657   2.152   5.470
  115   HH12  ARG  14          2HH1      ARG  14  -6.471   2.857   6.475
  116   HH21  ARG  14          1HH2      ARG  14  -6.256   5.918   4.758
  117   HH22  ARG  14          2HH2      ARG  14  -5.660   5.022   6.078
  118    H    ARG  15           H        ARG  15 -11.877   0.062   1.973
  119    HA   ARG  15           HA       ARG  15 -12.000  -2.047   0.053
  120    HB2  ARG  15           2HB      ARG  15 -12.904  -2.273   2.374
  121    HB3  ARG  15           1HB      ARG  15 -14.096  -1.040   1.993
  122    HG2  ARG  15           2HG      ARG  15 -15.074  -2.502   0.299
  123    HG3  ARG  15           1HG      ARG  15 -13.877  -3.739   0.673
  124    HD2  ARG  15           2HD      ARG  15 -15.891  -2.618   2.621
  125    HD3  ARG  15           1HD      ARG  15 -16.045  -4.152   1.770
  126    HE   ARG  15           HE       ARG  15 -13.631  -4.264   3.050
  127   HH11  ARG  15          1HH1      ARG  15 -16.984  -3.804   4.084
  128   HH12  ARG  15          2HH1      ARG  15 -16.798  -4.587   5.568
  129   HH21  ARG  15          1HH2      ARG  15 -13.369  -5.386   5.107
  130   HH22  ARG  15          2HH2      ARG  15 -14.690  -5.527   6.163
  131    H    GLY  16           H        GLY  16 -11.654  -0.352  -1.401
  132    HA2  GLY  16           2HA      GLY  16 -13.721   0.031  -3.229
  133    HA3  GLY  16           1HA      GLY  16 -13.628   1.512  -2.280
  134    H    VAL  17           H        VAL  17 -10.673   1.042  -1.890
  135    HA   VAL  17           HA       VAL  17  -9.689   1.335  -4.545
  136    HB   VAL  17           HB       VAL  17 -10.124   3.661  -4.019
  137   HG11  VAL  17          1HG1      VAL  17 -10.316   3.596  -1.627
  138   HG12  VAL  17          2HG1      VAL  17  -9.135   4.824  -2.088
  139   HG13  VAL  17          3HG1      VAL  17  -8.591   3.269  -1.463
  140   HG21  VAL  17          3HG2      VAL  17  -7.180   3.083  -3.688
  141   HG22  VAL  17          1HG2      VAL  17  -7.868   4.640  -4.138
  142   HG23  VAL  17          2HG2      VAL  17  -8.046   3.257  -5.215
  143    H    CYS  18           H        CYS  18  -8.834  -0.611  -4.235
  144    HA   CYS  18           HA       CYS  18  -6.288  -0.646  -2.913
  145    HB2  CYS  18           2HB      CYS  18  -8.030  -1.614  -1.259
  146    HB3  CYS  18           1HB      CYS  18  -8.304  -2.858  -2.468
  Start of MODEL   16
    1    H1   ARG   1           1HT      ARG   1  -2.728   4.590   5.919
    2    H2   ARG   1           2HT      ARG   1  -3.097   5.047   4.363
    3    H3   ARG   1           3HT      ARG   1  -3.283   6.169   5.602
    4    HA   ARG   1           HA       ARG   1  -1.283   6.615   4.327
    5    HB2  ARG   1           2HB      ARG   1  -0.555   5.241   6.920
    6    HB3  ARG   1           1HB      ARG   1   0.437   6.409   6.069
    7    HG2  ARG   1           2HG      ARG   1  -1.275   8.133   6.497
    8    HG3  ARG   1           1HG      ARG   1  -2.214   6.945   7.409
    9    HD2  ARG   1           2HD      ARG   1  -0.944   8.290   8.946
   10    HD3  ARG   1           1HD      ARG   1  -0.268   6.659   8.930
   11    HE   ARG   1           HE       ARG   1   0.943   8.669   7.205
   12   HH11  ARG   1          1HH1      ARG   1   1.226   6.762  10.193
   13   HH12  ARG   1          2HH1      ARG   1   2.857   7.155  10.440
   14   HH21  ARG   1          1HH2      ARG   1   3.171   9.171   7.552
   15   HH22  ARG   1          2HH2      ARG   1   4.003   8.564   8.903
   16    H    CYS   2           H        CYS   2   1.003   5.727   3.908
   17    HA   CYS   2           HA       CYS   2   0.762   2.928   3.137
   18    HB2  CYS   2           2HB      CYS   2   2.493   5.101   1.945
   19    HB3  CYS   2           1HB      CYS   2   2.382   3.439   1.381
   20    H    VAL   3           H        VAL   3   2.239   1.534   3.883
   21    HA   VAL   3           HA       VAL   3   4.172   2.626   5.785
   22    HB   VAL   3           HB       VAL   3   3.083  -0.203   5.555
   23   HG11  VAL   3          1HG1      VAL   3   4.118  -0.568   7.750
   24   HG12  VAL   3          2HG1      VAL   3   4.761   1.071   7.716
   25   HG13  VAL   3          3HG1      VAL   3   5.319  -0.112   6.539
   26   HG21  VAL   3          3HG2      VAL   3   1.792   0.280   7.576
   27   HG22  VAL   3          1HG2      VAL   3   1.335   1.358   6.257
   28   HG23  VAL   3          2HG2      VAL   3   2.376   1.944   7.560
   29    H    CYS   4           H        CYS   4   6.279   2.395   5.301
   30    HA   CYS   4           HA       CYS   4   6.910   0.640   3.056
   31    HB2  CYS   4           2HB      CYS   4   8.341   3.144   3.890
   32    HB3  CYS   4           1HB      CYS   4   8.709   2.153   2.495
   33    H    ARG   5           H        ARG   5   8.434  -0.760   3.293
   34    HA   ARG   5           HA       ARG   5  10.187  -0.693   5.600
   35    HB2  ARG   5           2HB      ARG   5   8.204  -1.918   6.384
   36    HB3  ARG   5           1HB      ARG   5   8.333  -3.010   5.013
   37    HG2  ARG   5           2HG      ARG   5  10.480  -3.816   5.850
   38    HG3  ARG   5           1HG      ARG   5  10.355  -2.721   7.226
   39    HD2  ARG   5           2HD      ARG   5   8.428  -4.939   6.560
   40    HD3  ARG   5           1HD      ARG   5   9.674  -5.001   7.809
   41    HE   ARG   5           HE       ARG   5   8.192  -2.780   8.364
   42   HH11  ARG   5          1HH1      ARG   5   7.558  -6.239   8.125
   43   HH12  ARG   5          2HH1      ARG   5   6.255  -6.232   9.234
   44   HH21  ARG   5          1HH2      ARG   5   6.410  -2.761   9.909
   45   HH22  ARG   5          2HH2      ARG   5   5.594  -4.219  10.253
   46    H    ARG   6           H        ARG   6  12.120  -1.296   4.996
   47    HA   ARG   6           HA       ARG   6  13.883  -2.129   3.877
   48    HB2  ARG   6           2HB      ARG   6  12.701  -4.292   4.540
   49    HB3  ARG   6           1HB      ARG   6  12.026  -4.332   2.922
   50    HG2  ARG   6           2HG      ARG   6  13.910  -5.834   3.057
   51    HG3  ARG   6           1HG      ARG   6  14.327  -4.475   2.008
   52    HD2  ARG   6           2HD      ARG   6  15.524  -3.415   3.876
   53    HD3  ARG   6           1HD      ARG   6  15.052  -4.768   4.908
   54    HE   ARG   6           HE       ARG   6  16.626  -5.278   2.523
   55   HH11  ARG   6          1HH1      ARG   6  16.377  -5.230   6.052
   56   HH12  ARG   6          2HH1      ARG   6  17.877  -5.988   6.326
   57   HH21  ARG   6          1HH2      ARG   6  18.723  -6.352   2.904
   58   HH22  ARG   6          2HH2      ARG   6  19.205  -6.671   4.504
   59    H    GLY   7           H        GLY   7  12.155  -0.285   2.563
   60    HA2  GLY   7           2HA      GLY   7  12.665   0.885   0.592
   61    HA3  GLY   7           1HA      GLY   7  13.302  -0.621  -0.041
   62    H    VAL   8           H        VAL   8  10.459  -1.648   1.109
   63    HA   VAL   8           HA       VAL   8   9.111  -0.951  -1.389
   64    HB   VAL   8           HB       VAL   8   9.705  -3.370  -1.251
   65   HG11  VAL   8          1HG1      VAL   8   7.864  -3.476   1.122
   66   HG12  VAL   8          2HG1      VAL   8   9.609  -3.764   1.106
   67   HG13  VAL   8          3HG1      VAL   8   8.522  -4.874   0.273
   68   HG21  VAL   8          3HG2      VAL   8   7.501  -4.304  -1.823
   69   HG22  VAL   8          1HG2      VAL   8   7.791  -2.748  -2.595
   70   HG23  VAL   8          2HG2      VAL   8   6.732  -2.845  -1.190
   71    H    CYS   9           H        CYS   9   6.991  -0.288  -1.335
   72    HA   CYS   9           HA       CYS   9   5.976   0.342   1.351
   73    HB2  CYS   9           2HB      CYS   9   5.530   1.829  -1.237
   74    HB3  CYS   9           1HB      CYS   9   4.819   2.250   0.310
   75    H    ARG  10           H        ARG  10   3.826   0.086   1.825
   76    HA   ARG  10           HA       ARG  10   2.120  -1.139  -0.216
   77    HB2  ARG  10           2HB      ARG  10   3.168  -2.868   1.342
   78    HB3  ARG  10           1HB      ARG  10   2.284  -2.099   2.649
   79    HG2  ARG  10           2HG      ARG  10   0.175  -2.567   1.408
   80    HG3  ARG  10           1HG      ARG  10   1.130  -3.501   0.251
   81    HD2  ARG  10           2HD      ARG  10   0.246  -5.038   1.826
   82    HD3  ARG  10           1HD      ARG  10   1.960  -4.861   2.193
   83    HE   ARG  10           HE       ARG  10  -0.188  -3.473   3.631
   84   HH11  ARG  10          1HH1      ARG  10   2.955  -5.133   3.721
   85   HH12  ARG  10          2HH1      ARG  10   3.051  -5.107   5.422
   86   HH21  ARG  10          1HH2      ARG  10  -0.037  -3.472   5.959
   87   HH22  ARG  10          2HH2      ARG  10   1.317  -4.141   6.735
   88    H    CYS  11           H        CYS  11   0.169  -0.091  -0.201
   89    HA   CYS  11           HA       CYS  11  -0.315   1.732   2.002
   90    HB2  CYS  11           2HB      CYS  11  -1.540   1.631  -0.739
   91    HB3  CYS  11           1HB      CYS  11  -1.814   2.859   0.487
   92    H    VAL  12           H        VAL  12  -1.772   1.244   3.407
   93    HA   VAL  12           HA       VAL  12  -3.524  -0.987   3.015
   94    HB   VAL  12           HB       VAL  12  -2.643  -0.434   5.300
   95   HG11  VAL  12          1HG1      VAL  12  -3.553   1.442   6.588
   96   HG12  VAL  12          2HG1      VAL  12  -4.363   2.034   5.139
   97   HG13  VAL  12          3HG1      VAL  12  -2.606   1.974   5.201
   98   HG21  VAL  12          3HG2      VAL  12  -4.670  -1.749   5.167
   99   HG22  VAL  12          1HG2      VAL  12  -5.652  -0.280   5.095
  100   HG23  VAL  12          2HG2      VAL  12  -4.747  -0.674   6.560
  101    H    CYS  13           H        CYS  13  -5.647  -0.889   2.417
  102    HA   CYS  13           HA       CYS  13  -6.518   1.786   1.639
  103    HB2  CYS  13           2HB      CYS  13  -5.629   0.487  -0.228
  104    HB3  CYS  13           1HB      CYS  13  -6.861  -0.755   0.026
  105    H    ARG  14           H        ARG  14  -8.853   1.554   0.924
  106    HA   ARG  14           HA       ARG  14 -10.344   0.407   3.201
  107    HB2  ARG  14           2HB      ARG  14 -10.376   2.912   2.866
  108    HB3  ARG  14           1HB      ARG  14 -11.144   2.635   1.313
  109    HG2  ARG  14           2HG      ARG  14 -12.843   3.246   2.860
  110    HG3  ARG  14           1HG      ARG  14 -13.023   1.521   2.538
  111    HD2  ARG  14           2HD      ARG  14 -11.793   1.019   4.598
  112    HD3  ARG  14           1HD      ARG  14 -11.651   2.751   4.917
  113    HE   ARG  14           HE       ARG  14 -14.284   1.537   4.633
  114   HH11  ARG  14          1HH1      ARG  14 -11.896   3.148   6.697
  115   HH12  ARG  14          2HH1      ARG  14 -12.929   3.310   8.033
  116   HH21  ARG  14          1HH2      ARG  14 -15.725   1.761   6.453
  117   HH22  ARG  14          2HH2      ARG  14 -15.174   2.441   7.914
  118    H    ARG  15           H        ARG  15 -10.904  -1.616   2.407
  119    HA   ARG  15           HA       ARG  15 -11.769  -3.233   1.174
  120    HB2  ARG  15           2HB      ARG  15 -13.707  -2.112   1.934
  121    HB3  ARG  15           1HB      ARG  15 -13.524  -0.895   0.691
  122    HG2  ARG  15           2HG      ARG  15 -14.220  -2.626  -0.991
  123    HG3  ARG  15           1HG      ARG  15 -14.359  -3.797   0.323
  124    HD2  ARG  15           2HD      ARG  15 -16.116  -2.482   1.356
  125    HD3  ARG  15           1HD      ARG  15 -15.934  -1.236   0.131
  126    HE   ARG  15           HE       ARG  15 -16.456  -3.511  -1.267
  127   HH11  ARG  15          1HH1      ARG  15 -18.152  -1.766   1.308
  128   HH12  ARG  15          2HH1      ARG  15 -19.705  -2.161   0.759
  129   HH21  ARG  15          1HH2      ARG  15 -18.616  -4.085  -2.018
  130   HH22  ARG  15          2HH2      ARG  15 -19.964  -3.505  -1.178
  131    H    GLY  16           H        GLY  16  -9.661  -1.777  -0.018
  132    HA2  GLY  16           2HA      GLY  16  -8.415  -1.873  -1.958
  133    HA3  GLY  16           1HA      GLY  16  -9.680  -2.877  -2.633
  134    H    VAL  17           H        VAL  17 -10.539   0.310  -1.469
  135    HA   VAL  17           HA       VAL  17 -10.297   1.367  -4.130
  136    HB   VAL  17           HB       VAL  17 -12.552   0.452  -4.154
  137   HG11  VAL  17          1HG1      VAL  17 -13.112   2.075  -1.691
  138   HG12  VAL  17          2HG1      VAL  17 -13.073   0.316  -1.819
  139   HG13  VAL  17          3HG1      VAL  17 -14.332   1.232  -2.642
  140   HG21  VAL  17          3HG2      VAL  17 -12.237   2.533  -5.350
  141   HG22  VAL  17          1HG2      VAL  17 -12.628   3.458  -3.898
  142   HG23  VAL  17          2HG2      VAL  17 -13.867   2.470  -4.674
  143    H    CYS  18           H        CYS  18  -8.858   2.837  -3.637
  144    HA   CYS  18           HA       CYS  18  -9.626   4.867  -1.680
  145    HB2  CYS  18           2HB      CYS  18  -6.846   3.802  -2.227
  146    HB3  CYS  18           1HB      CYS  18  -7.224   5.164  -1.171
  Start of MODEL   17
    1    H1   ARG   1           1HT      ARG   1  -2.306   7.429   4.876
    2    H2   ARG   1           2HT      ARG   1  -2.368   5.783   4.407
    3    H3   ARG   1           3HT      ARG   1  -1.429   6.879   3.558
    4    HA   ARG   1           HA       ARG   1   0.060   7.178   5.244
    5    HB2  ARG   1           2HB      ARG   1  -1.509   7.052   7.135
    6    HB3  ARG   1           1HB      ARG   1  -1.688   5.320   6.863
    7    HG2  ARG   1           2HG      ARG   1   0.625   4.949   7.471
    8    HG3  ARG   1           1HG      ARG   1   0.896   6.681   7.627
    9    HD2  ARG   1           2HD      ARG   1   0.635   5.650   9.793
   10    HD3  ARG   1           1HD      ARG   1  -0.699   6.760   9.491
   11    HE   ARG   1           HE       ARG   1  -1.570   4.266   8.697
   12   HH11  ARG   1          1HH1      ARG   1  -0.477   5.715  11.733
   13   HH12  ARG   1          2HH1      ARG   1  -1.402   4.691  12.729
   14   HH21  ARG   1          1HH2      ARG   1  -2.821   2.827  10.066
   15   HH22  ARG   1          2HH2      ARG   1  -2.745   3.001  11.759
   16    H    CYS   2           H        CYS   2   1.136   6.259   3.571
   17    HA   CYS   2           HA       CYS   2   1.223   3.361   3.350
   18    HB2  CYS   2           2HB      CYS   2   2.593   5.529   1.733
   19    HB3  CYS   2           1HB      CYS   2   2.663   3.802   1.390
   20    H    VAL   3           H        VAL   3   2.745   2.240   4.391
   21    HA   VAL   3           HA       VAL   3   4.957   3.747   5.592
   22    HB   VAL   3           HB       VAL   3   3.858   1.016   6.369
   23   HG11  VAL   3          1HG1      VAL   3   5.239   1.244   8.387
   24   HG12  VAL   3          2HG1      VAL   3   5.882   2.768   7.770
   25   HG13  VAL   3          3HG1      VAL   3   6.216   1.258   6.918
   26   HG21  VAL   3          3HG2      VAL   3   2.235   2.763   6.876
   27   HG22  VAL   3          1HG2      VAL   3   3.467   3.689   7.734
   28   HG23  VAL   3          2HG2      VAL   3   2.932   2.126   8.361
   29    H    CYS   4           H        CYS   4   6.896   3.410   4.666
   30    HA   CYS   4           HA       CYS   4   7.171   1.016   3.001
   31    HB2  CYS   4           2HB      CYS   4   8.703   3.570   2.814
   32    HB3  CYS   4           1HB      CYS   4   8.787   2.212   1.713
   33    H    ARG   5           H        ARG   5   8.597  -0.332   3.487
   34    HA   ARG   5           HA       ARG   5  10.954   0.411   4.995
   35    HB2  ARG   5           2HB      ARG   5   9.442  -0.270   6.766
   36    HB3  ARG   5           1HB      ARG   5   9.035  -1.744   5.900
   37    HG2  ARG   5           2HG      ARG   5  11.223  -2.636   6.231
   38    HG3  ARG   5           1HG      ARG   5  11.809  -1.109   6.882
   39    HD2  ARG   5           2HD      ARG   5   9.651  -2.798   8.134
   40    HD3  ARG   5           1HD      ARG   5  11.354  -2.823   8.606
   41    HE   ARG   5           HE       ARG   5  10.123  -0.218   8.659
   42   HH11  ARG   5          1HH1      ARG   5  10.894  -3.122  10.521
   43   HH12  ARG   5          2HH1      ARG   5  10.779  -2.372  12.044
   44   HH21  ARG   5          1HH2      ARG   5   9.954   0.832  10.733
   45   HH22  ARG   5          2HH2      ARG   5  10.233  -0.044  12.172
   46    H    ARG   6           H        ARG   6  12.568  -0.287   3.889
   47    HA   ARG   6           HA       ARG   6  13.983  -1.532   2.680
   48    HB2  ARG   6           2HB      ARG   6  13.413  -3.105   4.593
   49    HB3  ARG   6           1HB      ARG   6  12.288  -3.889   3.506
   50    HG2  ARG   6           2HG      ARG   6  14.110  -4.555   2.057
   51    HG3  ARG   6           1HG      ARG   6  15.264  -3.689   3.077
   52    HD2  ARG   6           2HD      ARG   6  14.594  -5.098   4.982
   53    HD3  ARG   6           1HD      ARG   6  13.526  -5.996   3.909
   54    HE   ARG   6           HE       ARG   6  15.797  -6.279   2.653
   55   HH11  ARG   6          1HH1      ARG   6  15.166  -6.496   6.126
   56   HH12  ARG   6          2HH1      ARG   6  16.327  -7.706   6.420
   57   HH21  ARG   6          1HH2      ARG   6  17.386  -7.973   3.050
   58   HH22  ARG   6          2HH2      ARG   6  17.602  -8.575   4.621
   59    H    GLY   7           H        GLY   7  11.904  -0.304   1.337
   60    HA2  GLY   7           2HA      GLY   7  11.414  -0.202  -0.926
   61    HA3  GLY   7           1HA      GLY   7  11.850  -1.899  -1.036
   62    H    VAL   8           H        VAL   8   9.922  -2.105   1.454
   63    HA   VAL   8           HA       VAL   8   7.637  -2.755  -0.222
   64    HB   VAL   8           HB       VAL   8   8.101  -3.349   2.718
   65   HG11  VAL   8          1HG1      VAL   8   6.031  -4.436   0.801
   66   HG12  VAL   8          2HG1      VAL   8   5.730  -3.330   2.143
   67   HG13  VAL   8          3HG1      VAL   8   6.274  -4.979   2.463
   68   HG21  VAL   8          3HG2      VAL   8   9.740  -4.476   1.314
   69   HG22  VAL   8          1HG2      VAL   8   8.447  -5.137   0.313
   70   HG23  VAL   8          2HG2      VAL   8   8.601  -5.635   1.999
   71    H    CYS   9           H        CYS   9   6.506  -0.967  -0.597
   72    HA   CYS   9           HA       CYS   9   5.759   0.773   1.614
   73    HB2  CYS   9           2HB      CYS   9   5.349   0.996  -1.373
   74    HB3  CYS   9           1HB      CYS   9   4.623   2.100  -0.210
   75    H    ARG  10           H        ARG  10   4.091   0.135   2.781
   76    HA   ARG  10           HA       ARG  10   1.996  -1.302   1.345
   77    HB2  ARG  10           2HB      ARG  10   2.923  -2.589   3.246
   78    HB3  ARG  10           1HB      ARG  10   2.481  -1.280   4.341
   79    HG2  ARG  10           2HG      ARG  10   0.117  -1.579   3.737
   80    HG3  ARG  10           1HG      ARG  10   0.567  -2.901   2.672
   81    HD2  ARG  10           2HD      ARG  10   1.428  -4.124   4.650
   82    HD3  ARG  10           1HD      ARG  10   0.833  -2.806   5.672
   83    HE   ARG  10           HE       ARG  10  -1.190  -3.798   3.939
   84   HH11  ARG  10          1HH1      ARG  10   0.449  -4.642   6.970
   85   HH12  ARG  10          2HH1      ARG  10  -0.855  -5.498   7.616
   86   HH21  ARG  10          1HH2      ARG  10  -3.020  -5.008   4.837
   87   HH22  ARG  10          2HH2      ARG  10  -2.891  -5.684   6.381
   88    H    CYS  11           H        CYS  11   0.452  -0.019   0.729
   89    HA   CYS  11           HA       CYS  11  -0.547   2.003   2.581
   90    HB2  CYS  11           2HB      CYS  11  -1.352   1.417  -0.264
   91    HB3  CYS  11           1HB      CYS  11  -1.735   2.855   0.656
   92    H    VAL  12           H        VAL  12  -2.102   1.117   3.834
   93    HA   VAL  12           HA       VAL  12  -3.180  -1.409   3.094
   94    HB   VAL  12           HB       VAL  12  -2.665  -1.030   5.445
   95   HG11  VAL  12          1HG1      VAL  12  -3.066   1.335   5.652
   96   HG12  VAL  12          2HG1      VAL  12  -3.957   0.448   6.884
   97   HG13  VAL  12          3HG1      VAL  12  -4.806   1.081   5.471
   98   HG21  VAL  12          3HG2      VAL  12  -5.625  -1.380   5.030
   99   HG22  VAL  12          1HG2      VAL  12  -4.742  -1.815   6.494
  100   HG23  VAL  12          2HG2      VAL  12  -4.403  -2.649   4.976
  101    H    CYS  13           H        CYS  13  -4.293  -1.243   1.344
  102    HA   CYS  13           HA       CYS  13  -6.451   0.620   1.045
  103    HB2  CYS  13           2HB      CYS  13  -5.411  -1.582  -0.709
  104    HB3  CYS  13           1HB      CYS  13  -6.722  -0.519  -1.127
  105    H    ARG  14           H        ARG  14  -8.469  -0.145   0.365
  106    HA   ARG  14           HA       ARG  14  -9.334  -2.749   1.391
  107    HB2  ARG  14           2HB      ARG  14 -10.801  -0.115   1.805
  108    HB3  ARG  14           1HB      ARG  14 -11.380  -1.696   2.283
  109    HG2  ARG  14           2HG      ARG  14  -8.985  -0.267   3.414
  110    HG3  ARG  14           1HG      ARG  14 -10.550  -0.466   4.206
  111    HD2  ARG  14           2HD      ARG  14 -10.223  -2.908   4.187
  112    HD3  ARG  14           1HD      ARG  14  -8.641  -2.677   3.435
  113    HE   ARG  14           HE       ARG  14  -8.991  -1.216   5.856
  114   HH11  ARG  14          1HH1      ARG  14  -7.869  -4.307   4.504
  115   HH12  ARG  14          2HH1      ARG  14  -7.045  -4.763   5.911
  116   HH21  ARG  14          1HH2      ARG  14  -7.895  -1.856   7.746
  117   HH22  ARG  14          2HH2      ARG  14  -7.018  -3.309   7.814
  118    H    ARG  15           H        ARG  15 -11.668  -3.016   0.481
  119    HA   ARG  15           HA       ARG  15 -11.376  -3.006  -2.346
  120    HB2  ARG  15           2HB      ARG  15 -12.265  -4.880  -0.957
  121    HB3  ARG  15           1HB      ARG  15 -13.701  -3.920  -0.656
  122    HG2  ARG  15           2HG      ARG  15 -14.107  -3.913  -3.112
  123    HG3  ARG  15           1HG      ARG  15 -12.745  -5.025  -3.278
  124    HD2  ARG  15           2HD      ARG  15 -15.252  -5.503  -1.677
  125    HD3  ARG  15           1HD      ARG  15 -14.836  -6.253  -3.212
  126    HE   ARG  15           HE       ARG  15 -12.893  -6.680  -1.144
  127   HH11  ARG  15          1HH1      ARG  15 -15.867  -7.900  -2.607
  128   HH12  ARG  15          2HH1      ARG  15 -15.732  -9.457  -1.955
  129   HH21  ARG  15          1HH2      ARG  15 -12.679  -8.833  -0.261
  130   HH22  ARG  15          2HH2      ARG  15 -13.885  -9.996  -0.606
  131    H    GLY  16           H        GLY  16 -11.376  -0.673  -2.014
  132    HA2  GLY  16           2HA      GLY  16 -13.087   0.682  -3.591
  133    HA3  GLY  16           1HA      GLY  16 -13.946   0.718  -2.051
  134    H    VAL  17           H        VAL  17 -11.150   0.657  -0.789
  135    HA   VAL  17           HA       VAL  17 -10.788   3.569  -0.936
  136    HB   VAL  17           HB       VAL  17 -10.162   1.789   1.445
  137   HG11  VAL  17          1HG1      VAL  17  -9.960   3.886   2.699
  138   HG12  VAL  17          2HG1      VAL  17 -10.210   4.792   1.206
  139   HG13  VAL  17          3HG1      VAL  17  -8.782   3.771   1.389
  140   HG21  VAL  17          3HG2      VAL  17 -12.511   3.642   1.060
  141   HG22  VAL  17          1HG2      VAL  17 -12.122   2.767   2.542
  142   HG23  VAL  17          2HG2      VAL  17 -12.579   1.880   1.083
  143    H    CYS  18           H        CYS  18  -9.302   3.300  -2.638
  144    HA   CYS  18           HA       CYS  18  -6.608   3.007  -1.726
  145    HB2  CYS  18           2HB      CYS  18  -7.495   0.637  -2.423
  146    HB3  CYS  18           1HB      CYS  18  -7.446   1.267  -4.051
  Start of MODEL   18
    1    H1   ARG   1           1HT      ARG   1  -3.834   4.947   3.448
    2    H2   ARG   1           2HT      ARG   1  -2.853   6.057   2.650
    3    H3   ARG   1           3HT      ARG   1  -3.868   6.587   3.870
    4    HA   ARG   1           HA       ARG   1  -1.587   6.464   4.624
    5    HB2  ARG   1           2HB      ARG   1  -3.214   4.172   5.772
    6    HB3  ARG   1           1HB      ARG   1  -1.903   5.017   6.575
    7    HG2  ARG   1           2HG      ARG   1  -4.490   6.316   5.761
    8    HG3  ARG   1           1HG      ARG   1  -4.179   5.655   7.362
    9    HD2  ARG   1           2HD      ARG   1  -2.437   7.247   7.753
   10    HD3  ARG   1           1HD      ARG   1  -2.489   7.794   6.079
   11    HE   ARG   1           HE       ARG   1  -4.939   8.313   6.760
   12   HH11  ARG   1          1HH1      ARG   1  -2.085   8.866   8.820
   13   HH12  ARG   1          2HH1      ARG   1  -2.702  10.297   9.484
   14   HH21  ARG   1          1HH2      ARG   1  -5.759  10.298   7.734
   15   HH22  ARG   1          2HH2      ARG   1  -4.788  11.135   8.858
   16    H    CYS   2           H        CYS   2   0.220   5.709   3.594
   17    HA   CYS   2           HA       CYS   2   0.175   2.895   2.898
   18    HB2  CYS   2           2HB      CYS   2   1.878   5.045   1.630
   19    HB3  CYS   2           1HB      CYS   2   1.667   3.395   1.071
   20    H    VAL   3           H        VAL   3   2.240   1.650   3.249
   21    HA   VAL   3           HA       VAL   3   3.924   2.931   5.273
   22    HB   VAL   3           HB       VAL   3   2.861   0.080   5.358
   23   HG11  VAL   3          1HG1      VAL   3   3.926  -0.071   7.560
   24   HG12  VAL   3          2HG1      VAL   3   4.603   1.542   7.345
   25   HG13  VAL   3          3HG1      VAL   3   5.110   0.224   6.286
   26   HG21  VAL   3          3HG2      VAL   3   1.118   1.667   5.960
   27   HG22  VAL   3          1HG2      VAL   3   2.190   2.435   7.129
   28   HG23  VAL   3          2HG2      VAL   3   1.648   0.777   7.389
   29    H    CYS   4           H        CYS   4   6.091   2.535   5.034
   30    HA   CYS   4           HA       CYS   4   6.879   0.623   2.958
   31    HB2  CYS   4           2HB      CYS   4   8.225   3.222   3.598
   32    HB3  CYS   4           1HB      CYS   4   8.670   2.103   2.338
   33    H    ARG   5           H        ARG   5   8.320  -0.758   3.568
   34    HA   ARG   5           HA       ARG   5  10.204  -0.109   5.657
   35    HB2  ARG   5           2HB      ARG   5   8.321  -1.313   6.810
   36    HB3  ARG   5           1HB      ARG   5   8.614  -2.691   5.755
   37    HG2  ARG   5           2HG      ARG   5  10.894  -2.885   6.650
   38    HG3  ARG   5           1HG      ARG   5  10.580  -1.527   7.725
   39    HD2  ARG   5           2HD      ARG   5  10.344  -3.562   8.940
   40    HD3  ARG   5           1HD      ARG   5   8.748  -2.835   8.754
   41    HE   ARG   5           HE       ARG   5   9.213  -4.631   6.663
   42   HH11  ARG   5          1HH1      ARG   5   8.679  -4.692  10.164
   43   HH12  ARG   5          2HH1      ARG   5   7.895  -6.195  10.163
   44   HH21  ARG   5          1HH2      ARG   5   8.176  -6.749   6.679
   45   HH22  ARG   5          2HH2      ARG   5   7.619  -7.402   8.149
   46    H    ARG   6           H        ARG   6  12.162  -0.869   5.144
   47    HA   ARG   6           HA       ARG   6  13.868  -1.797   3.973
   48    HB2  ARG   6           2HB      ARG   6  12.752  -3.926   4.831
   49    HB3  ARG   6           1HB      ARG   6  11.938  -4.039   3.286
   50    HG2  ARG   6           2HG      ARG   6  14.182  -4.149   2.188
   51    HG3  ARG   6           1HG      ARG   6  14.900  -4.230   3.796
   52    HD2  ARG   6           2HD      ARG   6  12.953  -6.187   2.588
   53    HD3  ARG   6           1HD      ARG   6  14.672  -6.459   2.883
   54    HE   ARG   6           HE       ARG   6  13.171  -5.737   5.208
   55   HH11  ARG   6          1HH1      ARG   6  14.154  -8.486   3.204
   56   HH12  ARG   6          2HH1      ARG   6  14.065  -9.614   4.470
   57   HH21  ARG   6          1HH2      ARG   6  13.020  -7.243   6.902
   58   HH22  ARG   6          2HH2      ARG   6  13.374  -8.892   6.656
   59    H    GLY   7           H        GLY   7  12.110   0.021   2.745
   60    HA2  GLY   7           2HA      GLY   7  11.951   1.040   0.699
   61    HA3  GLY   7           1HA      GLY   7  12.882  -0.300   0.039
   62    H    VAL   8           H        VAL   8  10.389  -1.747   1.600
   63    HA   VAL   8           HA       VAL   8   8.883  -2.047  -0.869
   64    HB   VAL   8           HB       VAL   8   8.551  -3.522   1.765
   65   HG11  VAL   8          1HG1      VAL   8   6.540  -3.568   0.398
   66   HG12  VAL   8          2HG1      VAL   8   7.294  -5.163   0.441
   67   HG13  VAL   8          3HG1      VAL   8   7.473  -4.141  -0.985
   68   HG21  VAL   8          3HG2      VAL   8   9.702  -5.399   0.683
   69   HG22  VAL   8          1HG2      VAL   8  10.744  -3.982   0.835
   70   HG23  VAL   8          2HG2      VAL   8  10.010  -4.387  -0.724
   71    H    CYS   9           H        CYS   9   7.426  -0.527  -1.121
   72    HA   CYS   9           HA       CYS   9   5.955   0.473   1.178
   73    HB2  CYS   9           2HB      CYS   9   6.119   1.413  -1.683
   74    HB3  CYS   9           1HB      CYS   9   5.086   2.139  -0.459
   75    H    ARG  10           H        ARG  10   3.947  -0.169   1.571
   76    HA   ARG  10           HA       ARG  10   2.387  -1.202  -0.651
   77    HB2  ARG  10           2HB      ARG  10   3.191  -3.165   0.726
   78    HB3  ARG  10           1HB      ARG  10   2.422  -2.434   2.133
   79    HG2  ARG  10           2HG      ARG  10   0.246  -2.550   0.974
   80    HG3  ARG  10           1HG      ARG  10   1.026  -3.350  -0.381
   81    HD2  ARG  10           2HD      ARG  10   1.655  -5.206   1.091
   82    HD3  ARG  10           1HD      ARG  10   0.872  -4.382   2.443
   83    HE   ARG  10           HE       ARG  10  -0.810  -4.849   0.136
   84   HH11  ARG  10          1HH1      ARG  10   0.171  -6.074   3.308
   85   HH12  ARG  10          2HH1      ARG  10  -1.203  -7.054   3.510
   86   HH21  ARG  10          1HH2      ARG  10  -2.667  -6.191   0.398
   87   HH22  ARG  10          2HH2      ARG  10  -2.846  -7.152   1.780
   88    H    CYS  11           H        CYS  11   0.309  -0.419  -0.535
   89    HA   CYS  11           HA       CYS  11   0.054   1.445   1.632
   90    HB2  CYS  11           2HB      CYS  11  -0.095   2.235  -0.771
   91    HB3  CYS  11           1HB      CYS  11  -1.681   1.453  -0.815
   92    H    VAL  12           H        VAL  12  -1.694   1.437   2.960
   93    HA   VAL  12           HA       VAL  12  -3.057  -1.115   3.074
   94    HB   VAL  12           HB       VAL  12  -3.249   1.253   4.966
   95   HG11  VAL  12          1HG1      VAL  12  -5.134  -0.276   5.156
   96   HG12  VAL  12          2HG1      VAL  12  -4.109  -0.379   6.584
   97   HG13  VAL  12          3HG1      VAL  12  -4.032  -1.640   5.349
   98   HG21  VAL  12          3HG2      VAL  12  -0.950   0.438   4.849
   99   HG22  VAL  12          1HG2      VAL  12  -1.501  -1.205   5.179
  100   HG23  VAL  12          2HG2      VAL  12  -1.672   0.045   6.408
  101    H    CYS  13           H        CYS  13  -4.469  -1.032   1.406
  102    HA   CYS  13           HA       CYS  13  -6.097   1.248   0.896
  103    HB2  CYS  13           2HB      CYS  13  -6.440  -1.534  -0.146
  104    HB3  CYS  13           1HB      CYS  13  -6.995  -0.033  -0.834
  105    H    ARG  14           H        ARG  14  -8.440   1.171   0.970
  106    HA   ARG  14           HA       ARG  14  -9.358  -0.421   3.234
  107    HB2  ARG  14           2HB      ARG  14 -10.108   2.351   2.342
  108    HB3  ARG  14           1HB      ARG  14 -11.066   1.432   3.498
  109    HG2  ARG  14           2HG      ARG  14  -9.182   1.376   5.030
  110    HG3  ARG  14           1HG      ARG  14  -8.171   2.208   3.851
  111    HD2  ARG  14           2HD      ARG  14  -9.099   3.698   5.631
  112    HD3  ARG  14           1HD      ARG  14  -9.520   4.189   3.990
  113    HE   ARG  14           HE       ARG  14 -11.612   2.667   4.686
  114   HH11  ARG  14          1HH1      ARG  14 -10.098   5.361   6.445
  115   HH12  ARG  14          2HH1      ARG  14 -11.564   5.912   7.100
  116   HH21  ARG  14          1HH2      ARG  14 -13.565   3.429   5.562
  117   HH22  ARG  14          2HH2      ARG  14 -13.583   4.796   6.583
  118    H    ARG  15           H        ARG  15  -9.741  -2.072   1.614
  119    HA   ARG  15           HA       ARG  15 -10.865  -3.221   0.057
  120    HB2  ARG  15           2HB      ARG  15 -11.857  -3.641   2.173
  121    HB3  ARG  15           1HB      ARG  15 -12.871  -2.226   2.013
  122    HG2  ARG  15           2HG      ARG  15 -14.102  -3.387   0.188
  123    HG3  ARG  15           1HG      ARG  15 -13.029  -4.773   0.371
  124    HD2  ARG  15           2HD      ARG  15 -14.809  -3.685   2.549
  125    HD3  ARG  15           1HD      ARG  15 -15.199  -5.074   1.545
  126    HE   ARG  15           HE       ARG  15 -13.357  -6.231   2.513
  127   HH11  ARG  15          1HH1      ARG  15 -14.154  -3.178   4.226
  128   HH12  ARG  15          2HH1      ARG  15 -13.570  -3.726   5.713
  129   HH21  ARG  15          1HH2      ARG  15 -12.510  -6.923   4.623
  130   HH22  ARG  15          2HH2      ARG  15 -12.600  -5.849   5.937
  131    H    GLY  16           H        GLY  16 -10.369  -1.544  -1.563
  132    HA2  GLY  16           2HA      GLY  16 -11.355  -0.989  -3.653
  133    HA3  GLY  16           1HA      GLY  16 -12.861  -0.643  -2.812
  134    H    VAL  17           H        VAL  17 -11.138   0.759  -0.700
  135    HA   VAL  17           HA       VAL  17 -11.014   3.277  -2.174
  136    HB   VAL  17           HB       VAL  17 -11.335   2.836   0.816
  137   HG11  VAL  17          1HG1      VAL  17 -10.265   4.963   0.300
  138   HG12  VAL  17          2HG1      VAL  17 -11.901   5.217   0.911
  139   HG13  VAL  17          3HG1      VAL  17 -11.575   5.357  -0.818
  140   HG21  VAL  17          3HG2      VAL  17 -13.323   2.082  -0.370
  141   HG22  VAL  17          1HG2      VAL  17 -13.419   3.622  -1.221
  142   HG23  VAL  17          2HG2      VAL  17 -13.664   3.562   0.523
  143    H    CYS  18           H        CYS  18  -8.908   2.734  -2.924
  144    HA   CYS  18           HA       CYS  18  -6.868   2.932  -0.834
  145    HB2  CYS  18           2HB      CYS  18  -6.937   0.870  -2.496
  146    HB3  CYS  18           1HB      CYS  18  -6.348   2.030  -3.655
  Start of MODEL   19
    1    H1   ARG   1           1HT      ARG   1  -3.244   4.123   4.140
    2    H2   ARG   1           2HT      ARG   1  -2.079   5.265   3.790
    3    H3   ARG   1           3HT      ARG   1  -3.245   5.581   4.970
    4    HA   ARG   1           HA       ARG   1  -1.138   4.994   5.975
    5    HB2  ARG   1           2HB      ARG   1  -3.283   2.862   6.257
    6    HB3  ARG   1           1HB      ARG   1  -1.969   3.112   7.397
    7    HG2  ARG   1           2HG      ARG   1  -2.805   5.314   7.942
    8    HG3  ARG   1           1HG      ARG   1  -4.073   5.173   6.737
    9    HD2  ARG   1           2HD      ARG   1  -4.968   3.217   8.013
   10    HD3  ARG   1           1HD      ARG   1  -3.758   3.542   9.257
   11    HE   ARG   1           HE       ARG   1  -5.157   5.895   8.730
   12   HH11  ARG   1          1HH1      ARG   1  -5.677   2.820  10.390
   13   HH12  ARG   1          2HH1      ARG   1  -6.996   3.379  11.306
   14   HH21  ARG   1          1HH2      ARG   1  -6.924   6.668  10.014
   15   HH22  ARG   1          2HH2      ARG   1  -7.710   5.610  11.108
   16    H    CYS   2           H        CYS   2   0.601   4.483   4.743
   17    HA   CYS   2           HA       CYS   2   0.768   1.755   3.677
   18    HB2  CYS   2           2HB      CYS   2   2.252   4.219   2.729
   19    HB3  CYS   2           1HB      CYS   2   2.212   2.644   1.958
   20    H    VAL   3           H        VAL   3   2.770   0.682   4.156
   21    HA   VAL   3           HA       VAL   3   4.497   2.114   6.031
   22    HB   VAL   3           HB       VAL   3   3.392   0.364   7.295
   23   HG11  VAL   3          1HG1      VAL   3   3.459  -1.994   6.676
   24   HG12  VAL   3          2HG1      VAL   3   4.271  -1.585   5.168
   25   HG13  VAL   3          3HG1      VAL   3   2.619  -1.039   5.455
   26   HG21  VAL   3          3HG2      VAL   3   5.765   0.640   7.767
   27   HG22  VAL   3          1HG2      VAL   3   6.162  -0.572   6.552
   28   HG23  VAL   3          2HG2      VAL   3   5.276  -1.041   8.002
   29    H    CYS   4           H        CYS   4   6.552   2.348   5.448
   30    HA   CYS   4           HA       CYS   4   7.559   0.609   3.316
   31    HB2  CYS   4           2HB      CYS   4   8.266   3.491   3.781
   32    HB3  CYS   4           1HB      CYS   4   8.900   2.450   2.525
   33    H    ARG   5           H        ARG   5   9.363  -0.316   3.680
   34    HA   ARG   5           HA       ARG   5  11.181   0.658   5.759
   35    HB2  ARG   5           2HB      ARG   5  10.405  -2.243   5.369
   36    HB3  ARG   5           1HB      ARG   5  11.677  -1.674   6.431
   37    HG2  ARG   5           2HG      ARG   5   9.947  -0.476   7.752
   38    HG3  ARG   5           1HG      ARG   5   8.716  -1.223   6.726
   39    HD2  ARG   5           2HD      ARG   5   8.968  -2.532   8.736
   40    HD3  ARG   5           1HD      ARG   5   9.596  -3.446   7.363
   41    HE   ARG   5           HE       ARG   5  11.313  -1.945   9.219
   42   HH11  ARG   5          1HH1      ARG   5  10.774  -4.875   7.232
   43   HH12  ARG   5          2HH1      ARG   5  12.117  -5.677   7.863
   44   HH21  ARG   5          1HH2      ARG   5  13.195  -3.098  10.011
   45   HH22  ARG   5          2HH2      ARG   5  13.515  -4.673   9.430
   46    H    ARG   6           H        ARG   6  12.856   1.230   4.591
   47    HA   ARG   6           HA       ARG   6  14.634   1.200   3.200
   48    HB2  ARG   6           2HB      ARG   6  14.991  -0.989   4.443
   49    HB3  ARG   6           1HB      ARG   6  14.223  -1.796   3.096
   50    HG2  ARG   6           2HG      ARG   6  16.035  -1.004   1.623
   51    HG3  ARG   6           1HG      ARG   6  16.818  -0.269   3.025
   52    HD2  ARG   6           2HD      ARG   6  16.201  -3.190   2.643
   53    HD3  ARG   6           1HD      ARG   6  17.793  -2.445   2.593
   54    HE   ARG   6           HE       ARG   6  17.199  -1.745   4.967
   55   HH11  ARG   6          1HH1      ARG   6  16.195  -4.831   3.521
   56   HH12  ARG   6          2HH1      ARG   6  16.264  -5.693   4.982
   57   HH21  ARG   6          1HH2      ARG   6  17.221  -2.926   6.988
   58   HH22  ARG   6          2HH2      ARG   6  16.823  -4.577   7.016
   59    H    GLY   7           H        GLY   7  12.056   1.562   2.138
   60    HA2  GLY   7           2HA      GLY   7  11.461   2.172  -0.040
   61    HA3  GLY   7           1HA      GLY   7  12.676   1.033  -0.612
   62    H    VAL   8           H        VAL   8  11.299  -0.895   1.438
   63    HA   VAL   8           HA       VAL   8   9.477  -2.028  -0.502
   64    HB   VAL   8           HB       VAL   8  10.099  -2.964   2.327
   65   HG11  VAL   8          1HG1      VAL   8   8.812  -4.432   0.022
   66   HG12  VAL   8          2HG1      VAL   8   7.997  -3.862   1.475
   67   HG13  VAL   8          3HG1      VAL   8   9.214  -5.133   1.589
   68   HG21  VAL   8          3HG2      VAL   8  12.124  -2.962   0.987
   69   HG22  VAL   8          1HG2      VAL   8  11.307  -3.860  -0.290
   70   HG23  VAL   8          2HG2      VAL   8  11.588  -4.620   1.278
   71    H    CYS   9           H        CYS   9   7.587  -1.026  -0.652
   72    HA   CYS   9           HA       CYS   9   6.338  -0.095   1.820
   73    HB2  CYS   9           2HB      CYS   9   5.830   0.779  -1.016
   74    HB3  CYS   9           1HB      CYS   9   4.993   1.376   0.404
   75    H    ARG  10           H        ARG  10   4.581  -0.962   2.496
   76    HA   ARG  10           HA       ARG  10   2.965  -2.543   0.657
   77    HB2  ARG  10           2HB      ARG  10   3.974  -4.020   2.334
   78    HB3  ARG  10           1HB      ARG  10   3.444  -2.962   3.630
   79    HG2  ARG  10           2HG      ARG  10   2.027  -4.927   3.506
   80    HG3  ARG  10           1HG      ARG  10   1.104  -3.480   3.100
   81    HD2  ARG  10           2HD      ARG  10   1.552  -4.015   0.686
   82    HD3  ARG  10           1HD      ARG  10   2.193  -5.564   1.221
   83    HE   ARG  10           HE       ARG  10  -0.281  -5.352   2.365
   84   HH11  ARG  10          1HH1      ARG  10   1.014  -5.388  -0.915
   85   HH12  ARG  10          2HH1      ARG  10  -0.422  -5.936  -1.647
   86   HH21  ARG  10          1HH2      ARG  10  -2.289  -6.120   1.365
   87   HH22  ARG  10          2HH2      ARG  10  -2.343  -6.356  -0.319
   88    H    CYS  11           H        CYS  11   0.956  -1.675   0.414
   89    HA   CYS  11           HA       CYS  11   0.026   0.047   2.568
   90    HB2  CYS  11           2HB      CYS  11   1.005   1.343   0.596
   91    HB3  CYS  11           1HB      CYS  11  -0.355   0.734  -0.346
   92    H    VAL  12           H        VAL  12  -2.122  -0.015   2.915
   93    HA   VAL  12           HA       VAL  12  -3.481  -2.338   1.791
   94    HB   VAL  12           HB       VAL  12  -3.313  -2.078   4.263
   95   HG11  VAL  12          1HG1      VAL  12  -4.653  -0.413   5.456
   96   HG12  VAL  12          2HG1      VAL  12  -5.039   0.355   3.917
   97   HG13  VAL  12          3HG1      VAL  12  -3.370   0.312   4.485
   98   HG21  VAL  12          3HG2      VAL  12  -5.679  -2.523   4.822
   99   HG22  VAL  12          1HG2      VAL  12  -5.156  -3.400   3.384
  100   HG23  VAL  12          2HG2      VAL  12  -6.147  -1.950   3.223
  101    H    CYS  13           H        CYS  13  -5.567  -2.154   0.808
  102    HA   CYS  13           HA       CYS  13  -6.023   0.250  -0.598
  103    HB2  CYS  13           2HB      CYS  13  -8.063  -0.888  -1.339
  104    HB3  CYS  13           1HB      CYS  13  -6.615  -1.817  -1.637
  105    H    ARG  14           H        ARG  14  -8.275   1.187  -0.562
  106    HA   ARG  14           HA       ARG  14  -8.877   1.691   2.278
  107    HB2  ARG  14           2HB      ARG  14  -9.171   3.633  -0.019
  108    HB3  ARG  14           1HB      ARG  14  -9.462   3.976   1.682
  109    HG2  ARG  14           2HG      ARG  14  -7.047   3.477   2.096
  110    HG3  ARG  14           1HG      ARG  14  -6.836   3.401   0.348
  111    HD2  ARG  14           2HD      ARG  14  -7.712   5.767   1.996
  112    HD3  ARG  14           1HD      ARG  14  -6.217   5.593   1.091
  113    HE   ARG  14           HE       ARG  14  -8.896   5.844  -0.087
  114   HH11  ARG  14          1HH1      ARG  14  -5.383   6.196  -0.406
  115   HH12  ARG  14          2HH1      ARG  14  -5.448   7.279  -1.709
  116   HH21  ARG  14          1HH2      ARG  14  -8.996   7.358  -1.928
  117   HH22  ARG  14          2HH2      ARG  14  -7.557   7.941  -2.605
  118    H    ARG  15           H        ARG  15 -11.139   2.522   2.560
  119    HA   ARG  15           HA       ARG  15 -12.847   0.472   1.521
  120    HB2  ARG  15           2HB      ARG  15 -12.671   1.389   3.946
  121    HB3  ARG  15           1HB      ARG  15 -13.664   2.710   3.363
  122    HG2  ARG  15           2HG      ARG  15 -15.093   1.124   4.421
  123    HG3  ARG  15           1HG      ARG  15 -15.373   1.017   2.683
  124    HD2  ARG  15           2HD      ARG  15 -13.950  -0.945   2.539
  125    HD3  ARG  15           1HD      ARG  15 -13.537  -0.798   4.241
  126    HE   ARG  15           HE       ARG  15 -16.341  -1.059   3.731
  127   HH11  ARG  15          1HH1      ARG  15 -13.316  -2.843   4.196
  128   HH12  ARG  15          2HH1      ARG  15 -14.044  -4.239   4.808
  129   HH21  ARG  15          1HH2      ARG  15 -17.374  -3.036   4.511
  130   HH22  ARG  15          2HH2      ARG  15 -16.421  -4.368   4.958
  131    H    GLY  16           H        GLY  16 -12.291   1.729  -0.475
  132    HA2  GLY  16           2HA      GLY  16 -14.595   2.796  -1.660
  133    HA3  GLY  16           1HA      GLY  16 -13.524   4.136  -1.263
  134    H    VAL  17           H        VAL  17 -11.099   2.305  -1.642
  135    HA   VAL  17           HA       VAL  17 -11.289   1.828  -4.456
  136    HB   VAL  17           HB       VAL  17 -10.351   4.071  -4.386
  137   HG11  VAL  17          1HG1      VAL  17  -8.240   3.025  -2.518
  138   HG12  VAL  17          2HG1      VAL  17  -9.518   4.180  -2.138
  139   HG13  VAL  17          3HG1      VAL  17  -8.240   4.621  -3.270
  140   HG21  VAL  17          3HG2      VAL  17  -8.175   3.719  -5.514
  141   HG22  VAL  17          1HG2      VAL  17  -9.438   2.634  -6.102
  142   HG23  VAL  17          2HG2      VAL  17  -8.211   2.033  -4.993
  143    H    CYS  18           H        CYS  18 -11.352  -0.284  -4.018
  144    HA   CYS  18           HA       CYS  18  -8.835  -1.526  -3.405
  145    HB2  CYS  18           2HB      CYS  18 -10.131  -1.305  -1.201
  146    HB3  CYS  18           1HB      CYS  18 -11.361  -2.327  -1.926
  Start of MODEL   20
    1    H1   ARG   1           1HT      ARG   1  -2.799   5.582   3.858
    2    H2   ARG   1           2HT      ARG   1  -3.434   5.889   5.372
    3    H3   ARG   1           3HT      ARG   1  -3.628   4.359   4.662
    4    HA   ARG   1           HA       ARG   1  -1.086   5.567   5.474
    5    HB2  ARG   1           2HB      ARG   1  -2.828   3.484   6.761
    6    HB3  ARG   1           1HB      ARG   1  -1.091   3.480   7.017
    7    HG2  ARG   1           2HG      ARG   1  -2.742   5.924   7.520
    8    HG3  ARG   1           1HG      ARG   1  -2.521   4.674   8.748
    9    HD2  ARG   1           2HD      ARG   1  -0.250   6.083   7.338
   10    HD3  ARG   1           1HD      ARG   1  -0.901   6.572   8.903
   11    HE   ARG   1           HE       ARG   1  -0.364   4.131   9.493
   12   HH11  ARG   1          1HH1      ARG   1   1.698   6.008   7.280
   13   HH12  ARG   1          2HH1      ARG   1   3.152   5.412   7.923
   14   HH21  ARG   1          1HH2      ARG   1   1.661   3.320  10.342
   15   HH22  ARG   1          2HH2      ARG   1   3.135   3.835   9.704
   16    H    CYS   2           H        CYS   2   0.460   5.001   4.192
   17    HA   CYS   2           HA       CYS   2   0.655   2.205   3.416
   18    HB2  CYS   2           2HB      CYS   2   1.394   4.644   1.795
   19    HB3  CYS   2           1HB      CYS   2   1.892   3.010   1.401
   20    H    VAL   3           H        VAL   3   2.389   1.361   4.283
   21    HA   VAL   3           HA       VAL   3   4.379   3.164   5.451
   22    HB   VAL   3           HB       VAL   3   3.951   0.203   5.947
   23   HG11  VAL   3          1HG1      VAL   3   5.600   2.227   7.455
   24   HG12  VAL   3          2HG1      VAL   3   6.214   0.932   6.430
   25   HG13  VAL   3          3HG1      VAL   3   5.356   0.544   7.921
   26   HG21  VAL   3          3HG2      VAL   3   2.006   1.470   6.694
   27   HG22  VAL   3          1HG2      VAL   3   3.050   2.558   7.609
   28   HG23  VAL   3          2HG2      VAL   3   2.918   0.864   8.074
   29    H    CYS   4           H        CYS   4   5.968   3.526   4.011
   30    HA   CYS   4           HA       CYS   4   6.998   1.211   2.535
   31    HB2  CYS   4           2HB      CYS   4   7.501   4.102   2.042
   32    HB3  CYS   4           1HB      CYS   4   8.115   2.789   1.077
   33    H    ARG   5           H        ARG   5   8.658   0.434   3.229
   34    HA   ARG   5           HA       ARG   5  10.743   2.040   4.503
   35    HB2  ARG   5           2HB      ARG   5   9.552  -0.431   5.760
   36    HB3  ARG   5           1HB      ARG   5  11.076   0.275   6.257
   37    HG2  ARG   5           2HG      ARG   5   9.933   2.320   6.899
   38    HG3  ARG   5           1HG      ARG   5   8.395   1.635   6.363
   39    HD2  ARG   5           2HD      ARG   5   8.636  -0.149   8.009
   40    HD3  ARG   5           1HD      ARG   5  10.159   0.557   8.558
   41    HE   ARG   5           HE       ARG   5   8.390   2.581   8.769
   42   HH11  ARG   5          1HH1      ARG   5   8.425  -0.719  10.007
   43   HH12  ARG   5          2HH1      ARG   5   7.506  -0.372  11.394
   44   HH21  ARG   5          1HH2      ARG   5   7.105   3.087  10.662
   45   HH22  ARG   5          2HH2      ARG   5   6.725   1.864  11.781
   46    H    ARG   6           H        ARG   6  12.330   1.757   3.241
   47    HA   ARG   6           HA       ARG   6  14.052   0.871   2.080
   48    HB2  ARG   6           2HB      ARG   6  14.217  -0.233   4.440
   49    HB3  ARG   6           1HB      ARG   6  13.656  -1.682   3.630
   50    HG2  ARG   6           2HG      ARG   6  15.611  -1.706   2.218
   51    HG3  ARG   6           1HG      ARG   6  16.154  -0.166   2.899
   52    HD2  ARG   6           2HD      ARG   6  16.192  -1.287   5.145
   53    HD3  ARG   6           1HD      ARG   6  15.898  -2.816   4.324
   54    HE   ARG   6           HE       ARG   6  18.072  -1.686   3.077
   55   HH11  ARG   6          1HH1      ARG   6  17.327  -2.951   6.324
   56   HH12  ARG   6          2HH1      ARG   6  18.941  -3.197   6.756
   57   HH21  ARG   6          1HH2      ARG   6  20.340  -2.070   3.703
   58   HH22  ARG   6          2HH2      ARG   6  20.688  -2.689   5.242
   59    H    GLY   7           H        GLY   7  11.613   0.735   0.814
   60    HA2  GLY   7           2HA      GLY   7  11.355  -0.068  -1.400
   61    HA3  GLY   7           1HA      GLY   7  12.082  -1.568  -0.839
   62    H    VAL   8           H        VAL   8  10.390  -1.579   1.602
   63    HA   VAL   8           HA       VAL   8   8.214  -3.011   0.357
   64    HB   VAL   8           HB       VAL   8   8.807  -2.619   3.300
   65   HG11  VAL   8          1HG1      VAL   8   7.377  -4.588   3.631
   66   HG12  VAL   8          2HG1      VAL   8   7.023  -4.616   1.906
   67   HG13  VAL   8          3HG1      VAL   8   6.492  -3.255   2.890
   68   HG21  VAL   8          3HG2      VAL   8   9.782  -4.860   3.223
   69   HG22  VAL   8          1HG2      VAL   8  10.652  -3.738   2.175
   70   HG23  VAL   8          2HG2      VAL   8   9.526  -4.907   1.477
   71    H    CYS   9           H        CYS   9   6.663  -1.695  -0.406
   72    HA   CYS   9           HA       CYS   9   5.541   0.317   1.397
   73    HB2  CYS   9           2HB      CYS   9   5.206  -0.123  -1.571
   74    HB3  CYS   9           1HB      CYS   9   4.146   0.934  -0.649
   75    H    ARG  10           H        ARG  10   4.099  -0.437   2.701
   76    HA   ARG  10           HA       ARG  10   2.239  -2.484   1.719
   77    HB2  ARG  10           2HB      ARG  10   3.643  -3.096   3.670
   78    HB3  ARG  10           1HB      ARG  10   2.956  -1.747   4.560
   79    HG2  ARG  10           2HG      ARG  10   0.721  -2.796   4.352
   80    HG3  ARG  10           1HG      ARG  10   1.483  -4.179   3.561
   81    HD2  ARG  10           2HD      ARG  10   1.167  -4.678   5.894
   82    HD3  ARG  10           1HD      ARG  10   2.889  -4.494   5.564
   83    HE   ARG  10           HE       ARG  10   1.259  -2.340   6.733
   84   HH11  ARG  10          1HH1      ARG  10   4.228  -4.263   6.745
   85   HH12  ARG  10          2HH1      ARG  10   4.876  -3.475   8.100
   86   HH21  ARG  10          1HH2      ARG  10   2.136  -1.284   8.549
   87   HH22  ARG  10          2HH2      ARG  10   3.676  -1.706   9.146
   88    H    CYS  11           H        CYS  11   0.428  -1.504   1.022
   89    HA   CYS  11           HA       CYS  11  -0.667   0.745   2.526
   90    HB2  CYS  11           2HB      CYS  11  -1.258  -0.354  -0.212
   91    HB3  CYS  11           1HB      CYS  11  -2.184   0.938   0.537
   92    H    VAL  12           H        VAL  12  -2.733   0.678   3.322
   93    HA   VAL  12           HA       VAL  12  -3.847  -1.984   3.730
   94    HB   VAL  12           HB       VAL  12  -4.687   0.676   4.935
   95   HG11  VAL  12          1HG1      VAL  12  -6.461  -0.990   4.984
   96   HG12  VAL  12          2HG1      VAL  12  -5.860  -0.671   6.607
   97   HG13  VAL  12          3HG1      VAL  12  -5.378  -2.143   5.763
   98   HG21  VAL  12          3HG2      VAL  12  -2.914  -1.465   6.119
   99   HG22  VAL  12          1HG2      VAL  12  -3.507  -0.040   6.972
  100   HG23  VAL  12          2HG2      VAL  12  -2.406   0.144   5.606
  101    H    CYS  13           H        CYS  13  -5.129  -2.568   1.997
  102    HA   CYS  13           HA       CYS  13  -6.460  -0.547   0.533
  103    HB2  CYS  13           2HB      CYS  13  -6.547  -3.527   0.249
  104    HB3  CYS  13           1HB      CYS  13  -7.273  -2.374  -0.831
  105    H    ARG  14           H        ARG  14  -8.536  -0.540   0.115
  106    HA   ARG  14           HA       ARG  14 -10.523  -1.574   1.942
  107    HB2  ARG  14           2HB      ARG  14  -9.638   1.320   1.761
  108    HB3  ARG  14           1HB      ARG  14 -11.229   0.865   2.337
  109    HG2  ARG  14           2HG      ARG  14 -10.417   0.011   4.312
  110    HG3  ARG  14           1HG      ARG  14  -8.837  -0.358   3.621
  111    HD2  ARG  14           2HD      ARG  14  -9.839   2.446   4.060
  112    HD3  ARG  14           1HD      ARG  14  -8.892   1.562   5.253
  113    HE   ARG  14           HE       ARG  14  -7.355   1.331   3.076
  114   HH11  ARG  14          1HH1      ARG  14  -8.917   4.233   4.359
  115   HH12  ARG  14          2HH1      ARG  14  -7.623   5.264   3.988
  116   HH21  ARG  14          1HH2      ARG  14  -5.588   2.738   2.528
  117   HH22  ARG  14          2HH2      ARG  14  -5.694   4.393   2.885
  118    H    ARG  15           H        ARG  15 -12.635  -0.729   1.108
  119    HA   ARG  15           HA       ARG  15 -12.727  -1.017  -1.727
  120    HB2  ARG  15           2HB      ARG  15 -14.354  -2.180  -0.276
  121    HB3  ARG  15           1HB      ARG  15 -14.963  -0.635   0.289
  122    HG2  ARG  15           2HG      ARG  15 -15.759  -0.119  -1.964
  123    HG3  ARG  15           1HG      ARG  15 -15.139  -1.661  -2.544
  124    HD2  ARG  15           2HD      ARG  15 -17.256  -1.304  -0.420
  125    HD3  ARG  15           1HD      ARG  15 -17.570  -1.704  -2.103
  126    HE   ARG  15           HE       ARG  15 -15.786  -3.581  -1.160
  127   HH11  ARG  15          1HH1      ARG  15 -19.128  -2.646  -0.365
  128   HH12  ARG  15          2HH1      ARG  15 -19.593  -4.225   0.066
  129   HH21  ARG  15          1HH2      ARG  15 -16.477  -5.730  -0.525
  130   HH22  ARG  15          2HH2      ARG  15 -18.090  -5.994  -0.045
  131    H    GLY  16           H        GLY  16 -11.477   0.912  -1.661
  132    HA2  GLY  16           2HA      GLY  16 -12.589   2.907  -3.167
  133    HA3  GLY  16           1HA      GLY  16 -12.779   3.481  -1.516
  134    H    VAL  17           H        VAL  17 -10.104   1.868  -0.999
  135    HA   VAL  17           HA       VAL  17  -8.249   3.690  -2.262
  136    HB   VAL  17           HB       VAL  17  -8.298   3.417   0.769
  137   HG11  VAL  17          1HG1      VAL  17  -6.571   5.096  -1.038
  138   HG12  VAL  17          2HG1      VAL  17  -6.073   3.661  -0.140
  139   HG13  VAL  17          3HG1      VAL  17  -6.537   5.126   0.726
  140   HG21  VAL  17          3HG2      VAL  17 -10.137   4.889   0.070
  141   HG22  VAL  17          1HG2      VAL  17  -9.010   5.858  -0.878
  142   HG23  VAL  17          2HG2      VAL  17  -8.862   5.808   0.874
  143    H    CYS  18           H        CYS  18  -7.036   2.180  -3.153
  144    HA   CYS  18           HA       CYS  18  -5.677   0.313  -1.376
  145    HB2  CYS  18           2HB      CYS  18  -7.509  -0.936  -2.549
  146    HB3  CYS  18           1HB      CYS  18  -6.812  -0.440  -4.086