*HEADER    ANTIMICROBIAL PROTEIN                   20-DEC-12   2M2G              
*TITLE     SOLUTION STRUCTURE OF THE ANTIMICROBIAL PEPTIDE [ABA3,16]BTD-2        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: [ABA3,16]BTD-2;                                            
*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 2M2G    0                                                


! H proton - H proton
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.660    0.860    0.860  
assign (resid   1 and name   HN)   (resid   1 and name  HA1)   2.315    0.515    0.515  
assign (resid   1 and name   HN)   (resid   1 and name  HA2)   2.315    0.515    0.515  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.845    1.045    1.045  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.845    1.045    1.045  
assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.145    0.345    0.345  
assign (resid   9 and name   HN)   (resid   9 and name   HA)   2.130    0.330    0.330  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.985    1.185    1.185  
assign (resid  10 and name   HN)   (resid  10 and name  HA1)   2.300    0.500    0.500  
assign (resid  10 and name   HN)   (resid  10 and name  HA2)   2.300    0.500    0.500  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.905    1.105    1.105  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.635    0.835    0.835  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.765    0.965    0.965  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.765    0.965    0.965  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.635    0.835    0.835  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.635    0.835    0.835  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.765    0.965    0.965  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.765    0.965    0.965  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.920    1.120    1.120  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.520    0.720    0.720  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.505    0.705    0.705  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.990    1.190    1.190  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.395    0.595    0.595  
assign (resid   1 and name   HN)   (resid  18 and name   HA)   2.300    0.500    0.500  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.115    0.315    0.315  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.255    0.455    0.455  
assign (resid   4 and name   HN)   (resid  16 and name   HA)   2.815    1.015    1.015  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.410    0.610    0.610  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.965    2.165    2.165  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.180    0.380    0.380  
assign (resid   5 and name   HA)   (resid  15 and name   HN)   2.180    0.380    0.380  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.440    0.640    0.640  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   2.765    0.965    0.965  
assign (resid   5 and name   HA)   (resid   5 and name  HB1)   2.285    0.485    0.485  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.580    0.780    0.780  
assign (resid   6 and name   HN)   (resid  14 and name   HA)   2.455    0.655    0.655  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.660    0.860    0.860  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.100    0.300    0.300  
assign (resid   7 and name   HA)   (resid  12 and name   HA)   2.145    0.145    0.345   
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.845    1.045    1.045  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.410    0.610    0.610  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.365    0.565    0.565  
assign (resid   8 and name   HN)   (resid  12 and name   HA)   2.455    0.655    0.655  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.180    0.380    0.380  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.890    1.090    1.090  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.410    0.610    0.610  
assign (resid   9 and name   HA)   (resid   9 and name  HB1)   2.350    0.550    0.550  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.395    0.595    0.595  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.285    0.485    0.485  
assign (resid  12 and name   HN)   (resid  13 and name  HB#)   3.315    1.515    1.515  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.315    0.515    0.515  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.890    1.090    1.090  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.335    0.535    0.535  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.100    0.300    0.300  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.185    1.385    1.385  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.505    0.705    0.705  
assign (resid  14 and name   HA)   (resid  14 and name  HB1)   2.315    0.515    0.515  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.210    0.410    0.410  
assign (resid  15 and name   HB)   (resid  16 and name   HN)   3.030    1.230    1.230  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.270    0.470    0.470  
assign (resid   2 and name   HN)   (resid  17 and name   HN)   2.705    0.905    0.905  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.195    0.395    0.395  
assign (resid   1 and name   HN)   (resid  18 and name   HN)   2.845    1.045    1.045  
assign (resid  18 and name   HA)   (resid  18 and name  HB1)   2.335    0.535    0.535  
assign (resid  17 and name   HN)   (resid  17 and name  HD#)   4.090    2.290    2.290  
assign (resid  17 and name   HN)   (resid  17 and name  HG1)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  17 and name  HG2)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  18 and name  HD#)   4.090    2.290    2.290  
assign (resid  18 and name   HN)   (resid  18 and name  HG#)   3.690    1.890    1.890  
assign (resid   9 and name   HN)   (resid   9 and name  HD#)   4.090    2.290    2.290  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   3.750    1.950    1.950  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   4.090    2.290    2.290  
assign (resid  13 and name   HN)   (resid  13 and name  HG1)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  13 and name  HG2)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   4.090    2.290    2.290  
assign (resid   4 and name   HN)   (resid   4 and name  HG1)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   4 and name  HG2)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   4.090    2.290    2.290  
assign (resid   8 and name   HN)   (resid   8 and name  HG1)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 and name  HG2)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid  13 and name  HB#)   4.090    2.290    2.290  
assign (resid   9 and name   HA)   (resid   9 and name  HD#)   4.090    2.290    2.290  
assign (resid  18 and name   HA)   (resid  18 and name  HD#)   4.090    2.290    2.290  
assign (resid   2 and name   HN)   (resid   2 and name  HG*)   4.700    2.900    2.900  
assign (resid   3 and name   HN)   (resid   3 and name  HG#)   4.160    2.360    2.360  
assign (resid  16 and name   HN)   (resid  16 and name  HG#)   4.160    2.360    2.360  
assign (resid  11 and name   HN)   (resid  11 and name  HG*)   4.700    2.900    2.900  
assign (resid  15 and name   HN)   (resid  15 and name  HG*)   4.700    2.900    2.900  
assign (resid   6 and name   HN)   (resid   6 and name  HG*)   4.685    2.885    2.885  
assign (resid   3 and name  HG#)   (resid   4 and name   HN)   3.725    1.925    1.925  
assign (resid   3 and name  HG#)   (resid   5 and name  HB1)   4.160    2.360    2.360  
assign (resid   5 and name   HN)   (resid   6 and name  HG*)   4.700    2.900    2.900  
assign (resid  11 and name  HG*)   (resid  12 and name   HN)   4.700    2.900    2.900  
assign (resid  16 and name  HG#)   (resid  17 and name   HN)   3.290    1.490    1.490  
assign (resid   2 and name  HG*)   (resid   3 and name   HN)   4.700    2.900    2.900  
assign (resid   1 and name   HN)   (resid   1 and name  HA#)   2.125    0.325    0.325  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.475    0.675    0.675  
assign (resid   8 and name   HN)   (resid   8 and name  HG#)   3.275    1.475    1.475  
assign (resid  13 and name  HG#)   (resid  17 and name  HD#)   3.980    2.180    2.180  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.695    0.895    0.895  
assign (resid   5 and name   HA)   (resid  14 and name   HA)   2.145    0.145  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  -88.8   52.8 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  128.8   39.2 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -104.7   46.3 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  121.6   42.3 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -108.5   46.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  142.4   36.2 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -135.1   38.5 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  149.8   26.6 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name SG   )    1.0  -60.0   30.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -131.4   24.5 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  133.8   27.1 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -138.5   33.7 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  141.9   19.9 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name SG   )    1.0  -60.0   30.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -123.8   67.4 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  139.7   33.1 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0   50.0   40.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  180.0   30.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0   84.9   21.1 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0   -6.7   24.7 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -95.9   45.7 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  149.5   26.8 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -121.8   43.1 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  142.2   21.7 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name SG   )    1.0  -60.0   30.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -125.9   36.6 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  137.7   33.4 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -138.9   52.9 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  144.2   35.2 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name SG   )    1.0  -60.0   30.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -106.7   34.3 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  138.1   27.6 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -113.0   47.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  127.1   44.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0   50.0   40.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG   )    1.0  180.0   30.0 2
!
!Hbonds
assign (resid   2 and name   HN)   (resid  17 and name    O)   1.900    0.100    0.100  
assign (resid   2 and name    N)   (resid  17 and name    O)   2.400    0.600    0.600  
assign (resid   2 and name    O)   (resid  17 and name   HN)   1.900    0.100    0.100  
assign (resid   2 and name    O)   (resid  17 and name    N)   2.400    0.600    0.600  
assign (resid   6 and name   HN)   (resid  13 and name    O)   1.900    0.100    0.100  
assign (resid   6 and name    N)   (resid  13 and name    O)   2.400    0.600    0.600  
assign (resid   6 and name    O)   (resid  13 and name   HN)   1.900    0.100    0.100  
assign (resid   6 and name    O)   (resid  13 and name    N)   2.400    0.600    0.600  
assign (resid   8 and name   HN)   (resid  11 and name    O)   1.900    0.100    0.100  
assign (resid   8 and name    N)   (resid  11 and name    O)   2.400    0.600    0.600  
assign (resid   8 and name    O)   (resid  11 and name   HN)   1.900    0.100    0.100  
assign (resid   8 and name    O)   (resid  11 and name    N)   2.400    0.600    0.600  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -10.534  -0.833   2.224
    2    HA2  GLY   1           2HA      GLY   1 -11.993  -2.737   2.372
    3    HA3  GLY   1           1HA      GLY   1 -12.769  -2.131   0.912
    4    H    VAL   2           H        VAL   2 -10.238  -1.551  -0.495
    5    HA   VAL   2           HA       VAL   2  -9.689  -4.361  -1.055
    6    HB   VAL   2           HB       VAL   2 -10.523  -3.159  -3.026
    7   HG11  VAL   2          1HG1      VAL   2  -9.241  -1.406  -4.146
    8   HG12  VAL   2          2HG1      VAL   2  -8.117  -1.373  -2.788
    9   HG13  VAL   2          3HG1      VAL   2  -9.803  -0.909  -2.549
   10   HG21  VAL   2          3HG2      VAL   2  -8.768  -3.740  -4.638
   11   HG22  VAL   2          1HG2      VAL   2  -8.981  -4.988  -3.411
   12   HG23  VAL   2          2HG2      VAL   2  -7.609  -3.881  -3.318
   13    H    ABA   3           H        ABU   3  -7.883  -5.258  -0.489
   14    HA   ABA   3           HA       ABU   3  -5.850  -3.636   0.728
   15    HB3  ABA   3           1HB      ABU   3  -5.989  -6.632   0.296
   16    HB2  ABA   3           2HB      ABU   3  -6.516  -5.788   1.747
   17    HG1  ABA   3           1HG      ABU   3  -4.345  -6.816   2.070
   18    HG3  ABA   3           3HG      ABU   3  -3.698  -5.889   0.715
   19    HG2  ABA   3           2HG      ABU   3  -4.239  -5.056   2.169
   20    H    ARG   4           H        ARG   4  -4.300  -2.769  -0.380
   21    HA   ARG   4           HA       ARG   4  -3.313  -4.149  -2.773
   22    HB2  ARG   4           2HB      ARG   4  -3.587  -1.165  -2.308
   23    HB3  ARG   4           1HB      ARG   4  -2.710  -1.874  -3.647
   24    HG2  ARG   4           2HG      ARG   4  -5.674  -2.228  -3.166
   25    HG3  ARG   4           1HG      ARG   4  -4.974  -1.017  -4.237
   26    HD2  ARG   4           2HD      ARG   4  -5.692  -2.867  -5.587
   27    HD3  ARG   4           1HD      ARG   4  -3.935  -2.881  -5.549
   28    HE   ARG   4           HE       ARG   4  -5.128  -4.557  -3.548
   29   HH11  ARG   4          1HH1      ARG   4  -4.108  -4.506  -6.938
   30   HH12  ARG   4          2HH1      ARG   4  -3.942  -6.196  -7.022
   31   HH21  ARG   4          1HH2      ARG   4  -4.925  -6.839  -3.699
   32   HH22  ARG   4          2HH2      ARG   4  -4.412  -7.536  -5.161
   33    H    CYS   5           H        CYS   5  -1.096  -4.333  -2.851
   34    HA   CYS   5           HA       CYS   5   0.139  -3.306  -0.458
   35    HB2  CYS   5           2HB      CYS   5   1.258  -5.435  -2.247
   36    HB3  CYS   5           1HB      CYS   5   1.831  -4.990  -0.662
   37    H    VAL   6           H        VAL   6   1.693  -2.015  -0.550
   38    HA   VAL   6           HA       VAL   6   2.575  -1.019  -3.190
   39    HB   VAL   6           HB       VAL   6   2.189   0.630  -0.672
   40   HG11  VAL   6          1HG1      VAL   6   2.506   2.573  -2.123
   41   HG12  VAL   6          2HG1      VAL   6   2.801   1.502  -3.489
   42   HG13  VAL   6          3HG1      VAL   6   3.921   1.518  -2.127
   43   HG21  VAL   6          3HG2      VAL   6   0.254   1.649  -1.786
   44   HG22  VAL   6          1HG2      VAL   6   0.017  -0.080  -1.538
   45   HG23  VAL   6          2HG2      VAL   6   0.445   0.533  -3.138
   46    H    CYS   7           H        CYS   7   4.731  -1.114  -3.461
   47    HA   CYS   7           HA       CYS   7   6.390  -1.249  -1.072
   48    HB2  CYS   7           2HB      CYS   7   7.043  -2.017  -3.908
   49    HB3  CYS   7           1HB      CYS   7   8.170  -2.047  -2.580
   50    H    ARG   8           H        ARG   8   7.794   0.190  -0.695
   51    HA   ARG   8           HA       ARG   8   8.377   2.255  -2.645
   52    HB2  ARG   8           2HB      ARG   8   6.231   2.921  -1.559
   53    HB3  ARG   8           1HB      ARG   8   7.082   2.986  -0.023
   54    HG2  ARG   8           2HG      ARG   8   8.508   4.748  -0.850
   55    HG3  ARG   8           1HG      ARG   8   7.747   4.646  -2.437
   56    HD2  ARG   8           2HD      ARG   8   5.571   5.176  -1.319
   57    HD3  ARG   8           1HD      ARG   8   6.483   5.503   0.155
   58    HE   ARG   8           HE       ARG   8   7.657   6.950  -1.871
   59   HH11  ARG   8          1HH1      ARG   8   4.605   6.955  -0.076
   60   HH12  ARG   8          2HH1      ARG   8   4.238   8.572  -0.462
   61   HH21  ARG   8          1HH2      ARG   8   7.112   9.138  -2.428
   62   HH22  ARG   8          2HH2      ARG   8   5.673   9.842  -1.839
   63    H    ARG   9           H        ARG   9  10.426   2.311  -2.567
   64    HA   ARG   9           HA       ARG   9  12.568   2.351  -1.967
   65    HB2  ARG   9           2HB      ARG   9  11.708   4.615  -1.267
   66    HB3  ARG   9           1HB      ARG   9  11.619   3.961   0.363
   67    HG2  ARG   9           2HG      ARG   9  13.644   5.275   0.101
   68    HG3  ARG   9           1HG      ARG   9  14.052   3.575   0.336
   69    HD2  ARG   9           2HD      ARG   9  15.433   4.538  -1.409
   70    HD3  ARG   9           1HD      ARG   9  14.351   3.338  -2.102
   71    HE   ARG   9           HE       ARG   9  13.258   5.969  -2.200
   72   HH11  ARG   9          1HH1      ARG   9  15.421   3.734  -3.904
   73   HH12  ARG   9          2HH1      ARG   9  15.315   4.566  -5.375
   74   HH21  ARG   9          1HH2      ARG   9  13.152   7.110  -4.281
   75   HH22  ARG   9          2HH2      ARG   9  14.027   6.479  -5.595
   76    H    GLY  10           H        GLY  10  11.765  -0.039  -1.324
   77    HA2  GLY  10           2HA      GLY  10  12.848  -1.742  -0.215
   78    HA3  GLY  10           1HA      GLY  10  13.405  -0.562   0.963
   79    H    VAL  11           H        VAL  11  10.306   0.231   0.933
   80    HA   VAL  11           HA       VAL  11   9.712  -1.695   3.067
   81    HB   VAL  11           HB       VAL  11   8.518   1.047   2.560
   82   HG11  VAL  11          1HG1      VAL  11   8.114  -0.836   4.879
   83   HG12  VAL  11          2HG1      VAL  11   6.923  -0.402   3.653
   84   HG13  VAL  11          3HG1      VAL  11   7.508   0.817   4.785
   85   HG21  VAL  11          3HG2      VAL  11  10.827   1.238   3.283
   86   HG22  VAL  11          1HG2      VAL  11  10.515   0.163   4.646
   87   HG23  VAL  11          2HG2      VAL  11   9.745   1.748   4.581
   88    H    CYS  12           H        CYS  12   8.222  -3.195   2.543
   89    HA   CYS  12           HA       CYS  12   6.336  -2.415   0.499
   90    HB2  CYS  12           2HB      CYS  12   7.309  -5.184   1.249
   91    HB3  CYS  12           1HB      CYS  12   5.900  -4.926   0.229
   92    H    ARG  13           H        ARG  13   4.341  -2.091   1.098
   93    HA   ARG  13           HA       ARG  13   3.508  -3.021   3.755
   94    HB2  ARG  13           2HB      ARG  13   4.117  -0.711   3.856
   95    HB3  ARG  13           1HB      ARG  13   3.176  -0.353   2.418
   96    HG2  ARG  13           2HG      ARG  13   1.123  -0.822   3.621
   97    HG3  ARG  13           1HG      ARG  13   2.053  -1.222   5.073
   98    HD2  ARG  13           2HD      ARG  13   2.000   1.439   3.654
   99    HD3  ARG  13           1HD      ARG  13   1.184   1.056   5.170
  100    HE   ARG  13           HE       ARG  13   3.714   0.453   5.747
  101   HH11  ARG  13          1HH1      ARG  13   2.335   3.329   4.244
  102   HH12  ARG  13          2HH1      ARG  13   3.523   4.388   4.825
  103   HH21  ARG  13          1HH2      ARG  13   5.344   1.875   6.555
  104   HH22  ARG  13          2HH2      ARG  13   5.291   3.537   6.188
  105    H    CYS  14           H        CYS  14   1.794  -4.366   3.513
  106    HA   CYS  14           HA       CYS  14  -0.013  -3.867   1.352
  107    HB2  CYS  14           2HB      CYS  14  -0.096  -5.991   3.509
  108    HB3  CYS  14           1HB      CYS  14  -1.313  -5.776   2.245
  109    H    VAL  15           H        VAL  15  -1.638  -2.641   1.437
  110    HA   VAL  15           HA       VAL  15  -2.618  -1.870   4.088
  111    HB   VAL  15           HB       VAL  15  -0.981  -0.212   3.369
  112   HG11  VAL  15          1HG1      VAL  15  -2.758   0.268   0.998
  113   HG12  VAL  15          2HG1      VAL  15  -1.122  -0.389   0.981
  114   HG13  VAL  15          3HG1      VAL  15  -1.395   1.283   1.470
  115   HG21  VAL  15          3HG2      VAL  15  -2.816   0.516   4.767
  116   HG22  VAL  15          1HG2      VAL  15  -3.794   0.852   3.339
  117   HG23  VAL  15          2HG2      VAL  15  -2.338   1.801   3.656
  118    H    ABA  16           H        ABU  16  -4.739  -1.428   4.274
  119    HA   ABA  16           HA       ABU  16  -6.461  -2.279   2.145
  120    HB3  ABA  16           1HB      ABU  16  -7.122  -1.161   4.878
  121    HB2  ABA  16           2HB      ABU  16  -6.960  -2.866   4.488
  122    HG1  ABA  16           3HG      ABU  16  -8.875  -2.720   2.986
  123    HG3  ABA  16           1HG      ABU  16  -9.042  -1.013   3.380
  124    HG2  ABA  16           2HG      ABU  16  -9.295  -2.227   4.631
  125    H    ARG  17           H        ARG  17  -7.168  -1.000   0.640
  126    HA   ARG  17           HA       ARG  17  -7.313   1.889   1.108
  127    HB2  ARG  17           2HB      ARG  17  -7.224   0.376  -1.516
  128    HB3  ARG  17           1HB      ARG  17  -7.111   2.112  -1.302
  129    HG2  ARG  17           2HG      ARG  17  -5.041   0.179  -0.256
  130    HG3  ARG  17           1HG      ARG  17  -4.955   0.910  -1.848
  131    HD2  ARG  17           2HD      ARG  17  -3.531   2.084  -0.263
  132    HD3  ARG  17           1HD      ARG  17  -4.830   3.146  -0.797
  133    HE   ARG  17           HE       ARG  17  -5.656   1.986   1.584
  134   HH11  ARG  17          1HH1      ARG  17  -2.873   3.970   0.606
  135   HH12  ARG  17          2HH1      ARG  17  -2.780   4.782   2.099
  136   HH21  ARG  17          1HH2      ARG  17  -5.552   3.148   3.582
  137   HH22  ARG  17          2HH2      ARG  17  -4.363   4.347   3.799
  138    H    ARG  18           H        ARG  18  -9.287   1.674   2.164
  139    HA   ARG  18           HA       ARG  18 -11.519   1.702   2.429
  140    HB2  ARG  18           2HB      ARG  18 -11.075   3.311   0.385
  141    HB3  ARG  18           1HB      ARG  18 -11.927   2.026  -0.474
  142    HG2  ARG  18           2HG      ARG  18 -13.789   2.261   1.164
  143    HG3  ARG  18           1HG      ARG  18 -12.967   3.683   1.804
  144    HD2  ARG  18           2HD      ARG  18 -14.498   4.564   0.294
  145    HD3  ARG  18           1HD      ARG  18 -12.990   4.515  -0.618
  146    HE   ARG  18           HE       ARG  18 -14.615   2.174  -0.887
  147   HH11  ARG  18          1HH1      ARG  18 -13.798   5.323  -2.272
  148   HH12  ARG  18          2HH1      ARG  18 -14.653   5.089  -3.716
  149   HH21  ARG  18          1HH2      ARG  18 -15.797   1.830  -2.892
  150   HH22  ARG  18          2HH2      ARG  18 -15.822   3.026  -4.089
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -10.637  -0.738   2.492
    2    HA2  GLY   1           2HA      GLY   1 -11.190  -2.918   3.011
    3    HA3  GLY   1           1HA      GLY   1 -12.464  -2.845   1.805
    4    H    VAL   2           H        VAL   2 -10.212  -1.776  -0.078
    5    HA   VAL   2           HA       VAL   2  -9.498  -4.415  -1.021
    6    HB   VAL   2           HB       VAL   2  -9.046  -1.697  -2.309
    7   HG11  VAL   2          1HG1      VAL   2  -8.835  -4.475  -3.473
    8   HG12  VAL   2          2HG1      VAL   2  -7.492  -3.375  -3.132
    9   HG13  VAL   2          3HG1      VAL   2  -8.674  -2.964  -4.374
   10   HG21  VAL   2          3HG2      VAL   2 -11.433  -2.183  -2.061
   11   HG22  VAL   2          1HG2      VAL   2 -11.204  -3.743  -2.844
   12   HG23  VAL   2          2HG2      VAL   2 -10.952  -2.261  -3.762
   13    H    ABA   3           H        ABU   3  -7.814  -5.181   0.055
   14    HA   ABA   3           HA       ABU   3  -5.658  -3.494   0.917
   15    HB3  ABA   3           1HB      ABU   3  -5.937  -6.508   1.035
   16    HB2  ABA   3           2HB      ABU   3  -6.463  -5.405   2.300
   17    HG1  ABA   3           3HG      ABU   3  -4.324  -6.423   2.845
   18    HG3  ABA   3           1HG      ABU   3  -4.158  -4.680   2.640
   19    HG2  ABA   3           2HG      ABU   3  -3.631  -5.771   1.362
   20    H    ARG   4           H        ARG   4  -4.303  -2.837  -0.497
   21    HA   ARG   4           HA       ARG   4  -3.224  -4.746  -2.440
   22    HB2  ARG   4           2HB      ARG   4  -2.877  -2.813  -3.991
   23    HB3  ARG   4           1HB      ARG   4  -4.568  -3.195  -3.717
   24    HG2  ARG   4           2HG      ARG   4  -4.781  -1.325  -2.201
   25    HG3  ARG   4           1HG      ARG   4  -3.060  -0.973  -2.352
   26    HD2  ARG   4           2HD      ARG   4  -4.412   0.513  -3.740
   27    HD3  ARG   4           1HD      ARG   4  -3.340  -0.491  -4.711
   28    HE   ARG   4           HE       ARG   4  -5.607  -1.912  -4.754
   29   HH11  ARG   4          1HH1      ARG   4  -5.000   1.518  -5.351
   30   HH12  ARG   4          2HH1      ARG   4  -6.265   1.678  -6.484
   31   HH21  ARG   4          1HH2      ARG   4  -7.346  -1.677  -6.330
   32   HH22  ARG   4          2HH2      ARG   4  -7.619  -0.156  -7.039
   33    H    CYS   5           H        CYS   5  -0.961  -4.531  -2.783
   34    HA   CYS   5           HA       CYS   5   0.181  -3.086  -0.549
   35    HB2  CYS   5           2HB      CYS   5   1.487  -5.367  -2.013
   36    HB3  CYS   5           1HB      CYS   5   1.970  -4.673  -0.478
   37    H    VAL   6           H        VAL   6   1.801  -1.819  -0.727
   38    HA   VAL   6           HA       VAL   6   2.626  -0.996  -3.435
   39    HB   VAL   6           HB       VAL   6   2.226   0.826  -1.033
   40   HG11  VAL   6          1HG1      VAL   6   3.952   1.624  -2.547
   41   HG12  VAL   6          2HG1      VAL   6   2.532   2.669  -2.620
   42   HG13  VAL   6          3HG1      VAL   6   2.835   1.504  -3.906
   43   HG21  VAL   6          3HG2      VAL   6   0.479   0.506  -3.472
   44   HG22  VAL   6          1HG2      VAL   6   0.295   1.771  -2.255
   45   HG23  VAL   6          2HG2      VAL   6   0.053   0.082  -1.812
   46    H    CYS   7           H        CYS   7   4.803  -1.008  -3.656
   47    HA   CYS   7           HA       CYS   7   6.331  -1.265  -1.185
   48    HB2  CYS   7           2HB      CYS   7   7.200  -2.022  -3.955
   49    HB3  CYS   7           1HB      CYS   7   8.082  -2.307  -2.470
   50    H    ARG   8           H        ARG   8   7.800   0.052  -0.646
   51    HA   ARG   8           HA       ARG   8   8.881   2.062  -2.367
   52    HB2  ARG   8           2HB      ARG   8   6.610   2.970  -1.992
   53    HB3  ARG   8           1HB      ARG   8   6.873   2.903  -0.259
   54    HG2  ARG   8           2HG      ARG   8   8.621   4.551  -0.426
   55    HG3  ARG   8           1HG      ARG   8   8.482   4.556  -2.180
   56    HD2  ARG   8           2HD      ARG   8   6.161   5.309  -1.960
   57    HD3  ARG   8           1HD      ARG   8   6.374   5.391  -0.209
   58    HE   ARG   8           HE       ARG   8   8.226   6.982  -0.743
   59   HH11  ARG   8          1HH1      ARG   8   5.385   6.649  -2.824
   60   HH12  ARG   8          2HH1      ARG   8   5.416   8.230  -3.416
   61   HH21  ARG   8          1HH2      ARG   8   8.311   9.177  -1.543
   62   HH22  ARG   8          2HH2      ARG   8   7.156   9.735  -2.654
   63    H    ARG   9           H        ARG   9  10.610   3.079  -1.408
   64    HA   ARG   9           HA       ARG   9  12.407   3.319  -0.145
   65    HB2  ARG   9           2HB      ARG   9  10.556   4.245   1.459
   66    HB3  ARG   9           1HB      ARG   9  10.848   2.736   2.326
   67    HG2  ARG   9           2HG      ARG   9  13.198   3.313   2.594
   68    HG3  ARG   9           1HG      ARG   9  12.936   4.811   1.705
   69    HD2  ARG   9           2HD      ARG   9  12.941   5.414   3.961
   70    HD3  ARG   9           1HD      ARG   9  11.247   5.398   3.483
   71    HE   ARG   9           HE       ARG   9  11.990   2.905   4.586
   72   HH11  ARG   9          1HH1      ARG   9  11.187   6.223   5.506
   73   HH12  ARG   9          2HH1      ARG   9  10.864   5.871   7.133
   74   HH21  ARG   9          1HH2      ARG   9  11.565   2.392   6.810
   75   HH22  ARG   9          2HH2      ARG   9  11.098   3.608   7.917
   76    H    GLY  10           H        GLY  10  11.703   0.766  -1.140
   77    HA2  GLY  10           2HA      GLY  10  12.747  -1.267  -1.179
   78    HA3  GLY  10           1HA      GLY  10  13.653  -0.767   0.238
   79    H    VAL  11           H        VAL  11  10.319  -0.430   0.835
   80    HA   VAL  11           HA       VAL  11  10.174  -3.160   1.887
   81    HB   VAL  11           HB       VAL  11   8.976  -2.379   3.874
   82   HG11  VAL  11          1HG1      VAL  11  11.377  -2.587   4.066
   83   HG12  VAL  11          2HG1      VAL  11  10.786  -1.272   5.083
   84   HG13  VAL  11          3HG1      VAL  11  11.574  -0.916   3.544
   85   HG21  VAL  11          3HG2      VAL  11   7.923  -0.372   2.990
   86   HG22  VAL  11          1HG2      VAL  11   9.492   0.424   2.885
   87   HG23  VAL  11          2HG2      VAL  11   8.821   0.009   4.460
   88    H    CYS  12           H        CYS  12   7.793  -3.740   2.368
   89    HA   CYS  12           HA       CYS  12   6.169  -2.480   0.331
   90    HB2  CYS  12           2HB      CYS  12   6.397  -5.442   0.902
   91    HB3  CYS  12           1HB      CYS  12   5.167  -4.728  -0.130
   92    H    ARG  13           H        ARG  13   4.342  -1.759   1.009
   93    HA   ARG  13           HA       ARG  13   3.423  -2.519   3.691
   94    HB2  ARG  13           2HB      ARG  13   4.172  -0.225   3.520
   95    HB3  ARG  13           1HB      ARG  13   3.173   0.024   2.111
   96    HG2  ARG  13           2HG      ARG  13   1.143  -0.160   3.403
   97    HG3  ARG  13           1HG      ARG  13   2.052  -0.592   4.855
   98    HD2  ARG  13           2HD      ARG  13   2.214   2.020   3.351
   99    HD3  ARG  13           1HD      ARG  13   1.345   1.749   4.861
  100    HE   ARG  13           HE       ARG  13   3.983   0.948   5.212
  101   HH11  ARG  13          1HH1      ARG  13   2.190   3.971   4.660
  102   HH12  ARG  13          2HH1      ARG  13   3.263   4.935   5.554
  103   HH21  ARG  13          1HH2      ARG  13   5.468   2.295   6.438
  104   HH22  ARG  13          2HH2      ARG  13   5.178   3.964   6.566
  105    H    CYS  14           H        CYS  14   1.442  -3.486   3.757
  106    HA   CYS  14           HA       CYS  14  -0.059  -3.322   1.323
  107    HB2  CYS  14           2HB      CYS  14  -0.416  -5.194   3.653
  108    HB3  CYS  14           1HB      CYS  14  -1.405  -5.129   2.182
  109    H    VAL  15           H        VAL  15  -1.580  -2.058   1.085
  110    HA   VAL  15           HA       VAL  15  -2.515  -0.602   3.461
  111    HB   VAL  15           HB       VAL  15  -2.577   0.424   0.623
  112   HG11  VAL  15          1HG1      VAL  15  -2.693   2.604   1.714
  113   HG12  VAL  15          2HG1      VAL  15  -2.697   1.804   3.285
  114   HG13  VAL  15          3HG1      VAL  15  -4.037   1.552   2.161
  115   HG21  VAL  15          3HG2      VAL  15  -0.426   0.931   2.669
  116   HG22  VAL  15          1HG2      VAL  15  -0.530   1.659   1.071
  117   HG23  VAL  15          2HG2      VAL  15  -0.234  -0.075   1.228
  118    H    ABA  16           H        ABU  16  -4.595  -0.813   3.963
  119    HA   ABA  16           HA       ABU  16  -6.452  -2.115   2.169
  120    HB3  ABA  16           1HB      ABU  16  -8.036  -1.940   4.082
  121    HB2  ABA  16           2HB      ABU  16  -6.810  -1.061   4.986
  122    HG1  ABA  16           3HG      ABU  16  -5.349  -3.011   4.915
  123    HG3  ABA  16           1HG      ABU  16  -6.577  -3.895   4.016
  124    HG2  ABA  16           2HG      ABU  16  -6.899  -3.382   5.670
  125    H    ARG  17           H        ARG  17  -6.901  -0.776   0.549
  126    HA   ARG  17           HA       ARG  17  -7.786   1.945   1.142
  127    HB2  ARG  17           2HB      ARG  17  -7.197   0.619  -1.521
  128    HB3  ARG  17           1HB      ARG  17  -7.583   2.310  -1.271
  129    HG2  ARG  17           2HG      ARG  17  -5.131   0.891  -0.258
  130    HG3  ARG  17           1HG      ARG  17  -5.200   2.000  -1.625
  131    HD2  ARG  17           2HD      ARG  17  -5.823   2.695   1.248
  132    HD3  ARG  17           1HD      ARG  17  -4.334   3.069   0.402
  133    HE   ARG  17           HE       ARG  17  -6.020   4.259  -1.202
  134   HH11  ARG  17          1HH1      ARG  17  -6.075   4.296   2.339
  135   HH12  ARG  17          2HH1      ARG  17  -6.738   5.865   2.433
  136   HH21  ARG  17          1HH2      ARG  17  -6.920   6.400  -1.040
  137   HH22  ARG  17          2HH2      ARG  17  -7.202   7.086   0.494
  138    H    ARG  18           H        ARG  18  -9.813   1.762   1.838
  139    HA   ARG  18           HA       ARG  18 -12.046   1.447   1.866
  140    HB2  ARG  18           2HB      ARG  18 -11.815   2.745  -0.290
  141    HB3  ARG  18           1HB      ARG  18 -11.773   1.185  -1.095
  142    HG2  ARG  18           2HG      ARG  18 -14.051   0.722  -0.417
  143    HG3  ARG  18           1HG      ARG  18 -14.105   2.228   0.503
  144    HD2  ARG  18           2HD      ARG  18 -13.806   3.501  -1.553
  145    HD3  ARG  18           1HD      ARG  18 -13.704   2.003  -2.476
  146    HE   ARG  18           HE       ARG  18 -16.064   1.710  -1.328
  147   HH11  ARG  18          1HH1      ARG  18 -14.741   4.563  -2.967
  148   HH12  ARG  18          2HH1      ARG  18 -16.253   5.097  -3.516
  149   HH21  ARG  18          1HH2      ARG  18 -18.130   2.490  -2.062
  150   HH22  ARG  18          2HH2      ARG  18 -18.221   3.909  -2.984
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -10.414  -0.645   1.983
    2    HA2  GLY   1           2HA      GLY   1 -11.628  -2.621   2.184
    3    HA3  GLY   1           1HA      GLY   1 -12.494  -2.185   0.717
    4    H    VAL   2           H        VAL   2  -9.817  -1.623  -0.631
    5    HA   VAL   2           HA       VAL   2  -9.351  -4.404  -1.388
    6    HB   VAL   2           HB       VAL   2  -8.393  -1.840  -2.705
    7   HG11  VAL   2          1HG1      VAL   2  -6.939  -3.735  -3.205
    8   HG12  VAL   2          2HG1      VAL   2  -7.847  -3.248  -4.634
    9   HG13  VAL   2          3HG1      VAL   2  -8.336  -4.679  -3.724
   10   HG21  VAL   2          3HG2      VAL   2 -10.089  -2.289  -4.420
   11   HG22  VAL   2          1HG2      VAL   2 -10.815  -2.029  -2.833
   12   HG23  VAL   2          2HG2      VAL   2 -10.668  -3.663  -3.474
   13    H    ABA   3           H        ABU   3  -7.937  -5.247   0.091
   14    HA   ABA   3           HA       ABU   3  -5.729  -3.768   1.105
   15    HB3  ABA   3           1HB      ABU   3  -6.100  -6.776   1.001
   16    HB2  ABA   3           2HB      ABU   3  -6.659  -5.736   2.309
   17    HG1  ABA   3           3HG      ABU   3  -3.791  -6.143   1.495
   18    HG3  ABA   3           1HG      ABU   3  -4.586  -6.877   2.887
   19    HG2  ABA   3           2HG      ABU   3  -4.351  -5.126   2.817
   20    H    ARG   4           H        ARG   4  -4.271  -3.025  -0.157
   21    HA   ARG   4           HA       ARG   4  -3.052  -4.779  -2.132
   22    HB2  ARG   4           2HB      ARG   4  -4.641  -3.284  -3.276
   23    HB3  ARG   4           1HB      ARG   4  -3.883  -1.895  -2.519
   24    HG2  ARG   4           2HG      ARG   4  -1.898  -2.193  -3.786
   25    HG3  ARG   4           1HG      ARG   4  -2.453  -3.762  -4.378
   26    HD2  ARG   4           2HD      ARG   4  -3.807  -1.127  -4.933
   27    HD3  ARG   4           1HD      ARG   4  -2.726  -1.964  -6.056
   28    HE   ARG   4           HE       ARG   4  -4.664  -3.767  -5.319
   29   HH11  ARG   4          1HH1      ARG   4  -4.608  -0.677  -7.029
   30   HH12  ARG   4          2HH1      ARG   4  -5.947  -1.044  -8.012
   31   HH21  ARG   4          1HH2      ARG   4  -6.487  -4.257  -6.624
   32   HH22  ARG   4          2HH2      ARG   4  -7.070  -3.116  -7.744
   33    H    CYS   5           H        CYS   5  -0.815  -4.333  -2.388
   34    HA   CYS   5           HA       CYS   5   0.115  -2.951  -0.028
   35    HB2  CYS   5           2HB      CYS   5   1.714  -4.891  -1.658
   36    HB3  CYS   5           1HB      CYS   5   1.986  -4.392   0.001
   37    H    VAL   6           H        VAL   6   1.463  -1.469  -0.041
   38    HA   VAL   6           HA       VAL   6   2.100  -0.234  -2.636
   39    HB   VAL   6           HB       VAL   6   1.934   1.105   0.091
   40   HG11  VAL   6          1HG1      VAL   6   2.260   2.320  -2.650
   41   HG12  VAL   6          2HG1      VAL   6   3.487   2.250  -1.385
   42   HG13  VAL   6          3HG1      VAL   6   2.036   3.222  -1.150
   43   HG21  VAL   6          3HG2      VAL   6  -0.286   0.407  -0.652
   44   HG22  VAL   6          1HG2      VAL   6  -0.031   1.212  -2.201
   45   HG23  VAL   6          2HG2      VAL   6  -0.134   2.163  -0.717
   46    H    CYS   7           H        CYS   7   4.197  -0.121  -3.168
   47    HA   CYS   7           HA       CYS   7   6.101  -0.849  -1.086
   48    HB2  CYS   7           2HB      CYS   7   6.396  -0.961  -4.056
   49    HB3  CYS   7           1HB      CYS   7   7.588  -1.460  -2.875
   50    H    ARG   8           H        ARG   8   7.511   0.398  -0.491
   51    HA   ARG   8           HA       ARG   8   8.264   2.725  -2.050
   52    HB2  ARG   8           2HB      ARG   8   6.269   3.428  -0.714
   53    HB3  ARG   8           1HB      ARG   8   7.175   3.056   0.746
   54    HG2  ARG   8           2HG      ARG   8   8.848   4.717   0.145
   55    HG3  ARG   8           1HG      ARG   8   7.947   5.068  -1.331
   56    HD2  ARG   8           2HD      ARG   8   6.027   5.752   0.045
   57    HD3  ARG   8           1HD      ARG   8   7.007   5.489   1.492
   58    HE   ARG   8           HE       ARG   8   8.342   7.173  -0.325
   59   HH11  ARG   8          1HH1      ARG   8   5.725   7.218   2.026
   60   HH12  ARG   8          2HH1      ARG   8   5.846   8.887   2.349
   61   HH21  ARG   8          1HH2      ARG   8   8.497   9.424   0.049
   62   HH22  ARG   8          2HH2      ARG   8   7.440  10.201   1.145
   63    H    ARG   9           H        ARG   9  10.336   2.844  -1.957
   64    HA   ARG   9           HA       ARG   9  12.491   2.731  -1.352
   65    HB2  ARG   9           2HB      ARG   9  11.526   4.321   0.403
   66    HB3  ARG   9           1HB      ARG   9  11.561   2.920   1.474
   67    HG2  ARG   9           2HG      ARG   9  13.976   2.747   1.174
   68    HG3  ARG   9           1HG      ARG   9  13.928   4.156   0.120
   69    HD2  ARG   9           2HD      ARG   9  13.042   5.497   1.963
   70    HD3  ARG   9           1HD      ARG   9  13.173   4.092   3.025
   71    HE   ARG   9           HE       ARG   9  15.620   4.505   1.794
   72   HH11  ARG   9          1HH1      ARG   9  13.583   5.950   4.272
   73   HH12  ARG   9          2HH1      ARG   9  14.836   6.808   5.046
   74   HH21  ARG   9          1HH2      ARG   9  17.380   5.659   2.851
   75   HH22  ARG   9          2HH2      ARG   9  17.036   6.662   4.197
   76    H    GLY  10           H        GLY  10  11.258   0.333  -1.798
   77    HA2  GLY  10           2HA      GLY  10  11.960  -1.837  -1.767
   78    HA3  GLY  10           1HA      GLY  10  13.082  -1.417  -0.485
   79    H    VAL  11           H        VAL  11  10.199  -0.281   0.565
   80    HA   VAL  11           HA       VAL  11   9.740  -2.702   2.154
   81    HB   VAL  11           HB       VAL  11   8.799   0.128   2.642
   82   HG11  VAL  11          1HG1      VAL  11   7.396  -1.550   3.717
   83   HG12  VAL  11          2HG1      VAL  11   8.293  -0.612   4.906
   84   HG13  VAL  11          3HG1      VAL  11   8.816  -2.243   4.506
   85   HG21  VAL  11          3HG2      VAL  11  11.196   0.106   2.788
   86   HG22  VAL  11          1HG2      VAL  11  11.146  -1.321   3.826
   87   HG23  VAL  11          2HG2      VAL  11  10.513   0.213   4.412
   88    H    CYS  12           H        CYS  12   7.946  -3.831   1.590
   89    HA   CYS  12           HA       CYS  12   5.926  -2.275   0.245
   90    HB2  CYS  12           2HB      CYS  12   6.361  -5.272   0.184
   91    HB3  CYS  12           1HB      CYS  12   5.021  -4.441  -0.591
   92    H    ARG  13           H        ARG  13   4.246  -1.783   1.308
   93    HA   ARG  13           HA       ARG  13   3.694  -3.207   3.797
   94    HB2  ARG  13           2HB      ARG  13   4.518  -0.981   4.164
   95    HB3  ARG  13           1HB      ARG  13   3.348  -0.320   3.037
   96    HG2  ARG  13           2HG      ARG  13   1.531  -0.968   4.516
   97    HG3  ARG  13           1HG      ARG  13   2.697  -1.642   5.660
   98    HD2  ARG  13           2HD      ARG  13   3.706   0.551   5.929
   99    HD3  ARG  13           1HD      ARG  13   2.574   1.226   4.758
  100    HE   ARG  13           HE       ARG  13   0.792   0.593   6.339
  101   HH11  ARG  13          1HH1      ARG  13   4.092   1.056   7.582
  102   HH12  ARG  13          2HH1      ARG  13   3.572   1.568   9.111
  103   HH21  ARG  13          1HH2      ARG  13   0.104   1.244   8.431
  104   HH22  ARG  13          2HH2      ARG  13   1.246   1.618   9.633
  105    H    CYS  14           H        CYS  14   1.761  -4.142   3.900
  106    HA   CYS  14           HA       CYS  14  -0.028  -3.645   1.722
  107    HB2  CYS  14           2HB      CYS  14  -0.152  -5.741   3.878
  108    HB3  CYS  14           1HB      CYS  14  -1.259  -5.590   2.500
  109    H    VAL  15           H        VAL  15  -1.709  -2.456   1.764
  110    HA   VAL  15           HA       VAL  15  -2.712  -1.522   4.374
  111    HB   VAL  15           HB       VAL  15  -2.341   0.206   1.903
  112   HG11  VAL  15          1HG1      VAL  15  -2.776   2.083   3.410
  113   HG12  VAL  15          2HG1      VAL  15  -3.099   0.946   4.719
  114   HG13  VAL  15          3HG1      VAL  15  -4.145   0.976   3.301
  115   HG21  VAL  15          3HG2      VAL  15  -0.511   1.340   3.113
  116   HG22  VAL  15          1HG2      VAL  15  -0.147  -0.353   2.777
  117   HG23  VAL  15          2HG2      VAL  15  -0.638   0.131   4.396
  118    H    ABA  16           H        ABU  16  -4.937  -1.221   4.430
  119    HA   ABA  16           HA       ABU  16  -6.483  -2.374   2.317
  120    HB3  ABA  16           1HB      ABU  16  -8.435  -1.767   3.747
  121    HB2  ABA  16           2HB      ABU  16  -7.329  -0.969   4.863
  122    HG1  ABA  16           3HG      ABU  16  -7.946  -3.175   5.665
  123    HG3  ABA  16           1HG      ABU  16  -6.224  -3.100   5.295
  124    HG2  ABA  16           2HG      ABU  16  -7.332  -3.899   4.179
  125    H    ARG  17           H        ARG  17  -6.561  -1.261   0.515
  126    HA   ARG  17           HA       ARG  17  -6.734   1.628   0.529
  127    HB2  ARG  17           2HB      ARG  17  -6.586  -0.299  -1.807
  128    HB3  ARG  17           1HB      ARG  17  -6.279   1.430  -1.846
  129    HG2  ARG  17           2HG      ARG  17  -4.591  -0.547  -0.314
  130    HG3  ARG  17           1HG      ARG  17  -4.229   0.032  -1.938
  131    HD2  ARG  17           2HD      ARG  17  -4.558   1.858   0.427
  132    HD3  ARG  17           1HD      ARG  17  -3.005   1.193  -0.078
  133    HE   ARG  17           HE       ARG  17  -3.959   2.235  -2.335
  134   HH11  ARG  17          1HH1      ARG  17  -3.593   3.702   0.891
  135   HH12  ARG  17          2HH1      ARG  17  -3.269   5.250   0.275
  136   HH21  ARG  17          1HH2      ARG  17  -3.466   4.327  -3.134
  137   HH22  ARG  17          2HH2      ARG  17  -3.178   5.625  -2.070
  138    H    ARG  18           H        ARG  18  -8.815   1.643   1.456
  139    HA   ARG  18           HA       ARG  18 -11.053   1.764   1.516
  140    HB2  ARG  18           2HB      ARG  18 -10.562   3.308  -0.395
  141    HB3  ARG  18           1HB      ARG  18 -10.827   1.927  -1.453
  142    HG2  ARG  18           2HG      ARG  18 -13.142   1.776  -0.718
  143    HG3  ARG  18           1HG      ARG  18 -12.881   3.130   0.380
  144    HD2  ARG  18           2HD      ARG  18 -12.464   4.607  -1.477
  145    HD3  ARG  18           1HD      ARG  18 -12.577   3.255  -2.608
  146    HE   ARG  18           HE       ARG  18 -14.916   3.241  -1.207
  147   HH11  ARG  18          1HH1      ARG  18 -13.291   5.567  -3.292
  148   HH12  ARG  18          2HH1      ARG  18 -14.726   6.300  -3.837
  149   HH21  ARG  18          1HH2      ARG  18 -16.893   4.206  -1.983
  150   HH22  ARG  18          2HH2      ARG  18 -16.825   5.493  -3.091
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -11.212  -1.143   1.980
    2    HA2  GLY   1           2HA      GLY   1 -12.246  -3.226   2.265
    3    HA3  GLY   1           1HA      GLY   1 -13.059  -2.978   0.729
    4    H    VAL   2           H        VAL   2 -10.309  -2.125  -0.394
    5    HA   VAL   2           HA       VAL   2  -9.578  -4.892  -1.032
    6    HB   VAL   2           HB       VAL   2  -9.107  -2.358  -2.636
    7   HG11  VAL   2          1HG1      VAL   2  -8.361  -3.828  -4.437
    8   HG12  VAL   2          2HG1      VAL   2  -8.553  -5.225  -3.378
    9   HG13  VAL   2          3HG1      VAL   2  -7.335  -4.006  -3.012
   10   HG21  VAL   2          3HG2      VAL   2 -10.991  -4.663  -3.131
   11   HG22  VAL   2          1HG2      VAL   2 -10.759  -3.271  -4.189
   12   HG23  VAL   2          2HG2      VAL   2 -11.458  -3.055  -2.581
   13    H    ABA   3           H        ABU   3  -7.664  -5.656  -0.508
   14    HA   ABA   3           HA       ABU   3  -5.773  -4.054   0.939
   15    HB3  ABA   3           1HB      ABU   3  -5.701  -6.939   0.024
   16    HB2  ABA   3           2HB      ABU   3  -6.161  -6.347   1.618
   17    HG1  ABA   3           3HG      ABU   3  -3.947  -7.276   1.694
   18    HG3  ABA   3           1HG      ABU   3  -3.899  -5.534   1.979
   19    HG2  ABA   3           2HG      ABU   3  -3.422  -6.182   0.409
   20    H    ARG   4           H        ARG   4  -4.572  -2.652  -0.193
   21    HA   ARG   4           HA       ARG   4  -3.338  -3.659  -2.645
   22    HB2  ARG   4           2HB      ARG   4  -4.200  -0.841  -1.970
   23    HB3  ARG   4           1HB      ARG   4  -3.176  -1.246  -3.339
   24    HG2  ARG   4           2HG      ARG   4  -6.017  -2.172  -2.902
   25    HG3  ARG   4           1HG      ARG   4  -5.474  -0.946  -4.051
   26    HD2  ARG   4           2HD      ARG   4  -4.769  -3.888  -4.096
   27    HD3  ARG   4           1HD      ARG   4  -5.830  -3.038  -5.215
   28    HE   ARG   4           HE       ARG   4  -3.760  -1.659  -5.680
   29   HH11  ARG   4          1HH1      ARG   4  -3.729  -5.186  -5.110
   30   HH12  ARG   4          2HH1      ARG   4  -2.253  -5.429  -5.924
   31   HH21  ARG   4          1HH2      ARG   4  -1.704  -2.037  -6.762
   32   HH22  ARG   4          2HH2      ARG   4  -1.059  -3.600  -6.857
   33    H    CYS   5           H        CYS   5  -1.149  -3.408  -2.855
   34    HA   CYS   5           HA       CYS   5   0.027  -2.408  -0.419
   35    HB2  CYS   5           2HB      CYS   5   1.248  -4.435  -2.283
   36    HB3  CYS   5           1HB      CYS   5   1.901  -3.911  -0.752
   37    H    VAL   6           H        VAL   6   1.762  -1.120  -0.524
   38    HA   VAL   6           HA       VAL   6   2.659  -0.185  -3.156
   39    HB   VAL   6           HB       VAL   6   2.236   1.543  -0.679
   40   HG11  VAL   6          1HG1      VAL   6   2.793   3.438  -2.135
   41   HG12  VAL   6          2HG1      VAL   6   3.127   2.318  -3.453
   42   HG13  VAL   6          3HG1      VAL   6   4.131   2.296  -2.006
   43   HG21  VAL   6          3HG2      VAL   6   0.094   0.979  -1.705
   44   HG22  VAL   6          1HG2      VAL   6   0.684   1.523  -3.276
   45   HG23  VAL   6          2HG2      VAL   6   0.467   2.682  -1.962
   46    H    CYS   7           H        CYS   7   4.795  -0.476  -3.337
   47    HA   CYS   7           HA       CYS   7   6.316  -0.895  -0.884
   48    HB2  CYS   7           2HB      CYS   7   6.936  -1.769  -3.696
   49    HB3  CYS   7           1HB      CYS   7   7.954  -2.061  -2.294
   50    H    ARG   8           H        ARG   8   8.217   0.122  -0.520
   51    HA   ARG   8           HA       ARG   8   9.030   2.157  -2.389
   52    HB2  ARG   8           2HB      ARG   8   7.213   3.243  -1.140
   53    HB3  ARG   8           1HB      ARG   8   8.052   2.909   0.368
   54    HG2  ARG   8           2HG      ARG   8   8.316   5.237  -0.374
   55    HG3  ARG   8           1HG      ARG   8   9.858   4.387  -0.272
   56    HD2  ARG   8           2HD      ARG   8   9.701   5.753  -2.311
   57    HD3  ARG   8           1HD      ARG   8   9.863   4.041  -2.681
   58    HE   ARG   8           HE       ARG   8   7.217   5.283  -2.637
   59   HH11  ARG   8          1HH1      ARG   8   9.750   3.560  -4.456
   60   HH12  ARG   8          2HH1      ARG   8   8.907   3.554  -5.912
   61   HH21  ARG   8          1HH2      ARG   8   6.030   5.256  -4.687
   62   HH22  ARG   8          2HH2      ARG   8   6.741   4.538  -6.051
   63    H    ARG   9           H        ARG   9  11.091   1.979  -2.497
   64    HA   ARG   9           HA       ARG   9  13.273   1.815  -2.086
   65    HB2  ARG   9           2HB      ARG   9  12.579   3.877  -0.715
   66    HB3  ARG   9           1HB      ARG   9  12.738   2.801   0.669
   67    HG2  ARG   9           2HG      ARG   9  15.100   2.371  -0.027
   68    HG3  ARG   9           1HG      ARG   9  14.913   3.649  -1.229
   69    HD2  ARG   9           2HD      ARG   9  15.952   4.559   0.752
   70    HD3  ARG   9           1HD      ARG   9  14.316   5.211   0.603
   71    HE   ARG   9           HE       ARG   9  14.028   3.000   2.144
   72   HH11  ARG   9          1HH1      ARG   9  15.910   5.962   2.459
   73   HH12  ARG   9          2HH1      ARG   9  16.025   5.883   4.145
   74   HH21  ARG   9          1HH2      ARG   9  14.112   2.906   4.472
   75   HH22  ARG   9          2HH2      ARG   9  14.949   4.115   5.305
   76    H    GLY  10           H        GLY  10  11.791  -0.550  -1.578
   77    HA2  GLY  10           2HA      GLY  10  12.876  -2.602  -1.069
   78    HA3  GLY  10           1HA      GLY  10  13.692  -1.749   0.227
   79    H    VAL  11           H        VAL  11  10.782  -0.599   0.847
   80    HA   VAL  11           HA       VAL  11  10.083  -3.004   2.379
   81    HB   VAL  11           HB       VAL  11   9.048  -1.653   4.095
   82   HG11  VAL  11          1HG1      VAL  11  11.821  -0.696   3.497
   83   HG12  VAL  11          2HG1      VAL  11  11.350  -2.085   4.476
   84   HG13  VAL  11          3HG1      VAL  11  10.988  -0.448   5.029
   85   HG21  VAL  11          3HG2      VAL  11   9.198   0.828   4.115
   86   HG22  VAL  11          1HG2      VAL  11   8.192   0.202   2.805
   87   HG23  VAL  11          2HG2      VAL  11   9.820   0.759   2.459
   88    H    CYS  12           H        CYS  12   7.741  -3.246   2.810
   89    HA   CYS  12           HA       CYS  12   6.242  -2.057   0.677
   90    HB2  CYS  12           2HB      CYS  12   6.333  -4.981   1.369
   91    HB3  CYS  12           1HB      CYS  12   5.049  -4.267   0.396
   92    H    ARG  13           H        ARG  13   4.475  -1.186   1.287
   93    HA   ARG  13           HA       ARG  13   3.431  -1.779   3.948
   94    HB2  ARG  13           2HB      ARG  13   4.232   0.472   3.689
   95    HB3  ARG  13           1HB      ARG  13   3.346   0.671   2.198
   96    HG2  ARG  13           2HG      ARG  13   2.205   1.910   3.919
   97    HG3  ARG  13           1HG      ARG  13   1.215   0.518   3.502
   98    HD2  ARG  13           2HD      ARG  13   3.094   0.551   5.857
   99    HD3  ARG  13           1HD      ARG  13   1.430   1.098   5.972
  100    HE   ARG  13           HE       ARG  13   0.824  -1.225   5.238
  101   HH11  ARG  13          1HH1      ARG  13   3.884  -0.600   6.972
  102   HH12  ARG  13          2HH1      ARG  13   3.931  -2.130   7.691
  103   HH21  ARG  13          1HH2      ARG  13   0.898  -3.343   6.300
  104   HH22  ARG  13          2HH2      ARG  13   2.214  -3.697   7.306
  105    H    CYS  14           H        CYS  14   1.945  -3.340   3.547
  106    HA   CYS  14           HA       CYS  14   0.098  -2.915   1.409
  107    HB2  CYS  14           2HB      CYS  14   0.237  -5.069   3.515
  108    HB3  CYS  14           1HB      CYS  14  -1.010  -4.975   2.277
  109    H    VAL  15           H        VAL  15  -1.766  -1.999   1.540
  110    HA   VAL  15           HA       VAL  15  -2.874  -1.560   4.184
  111    HB   VAL  15           HB       VAL  15  -1.561   0.422   3.728
  112   HG11  VAL  15          1HG1      VAL  15  -2.067   1.961   1.879
  113   HG12  VAL  15          2HG1      VAL  15  -3.185   0.766   1.218
  114   HG13  VAL  15          3HG1      VAL  15  -1.464   0.401   1.320
  115   HG21  VAL  15          3HG2      VAL  15  -3.308   2.141   3.962
  116   HG22  VAL  15          1HG2      VAL  15  -3.611   0.733   4.983
  117   HG23  VAL  15          2HG2      VAL  15  -4.517   0.951   3.482
  118    H    ABA  16           H        ABU  16  -4.966  -1.878   4.258
  119    HA   ABA  16           HA       ABU  16  -6.353  -2.416   1.803
  120    HB3  ABA  16           1HB      ABU  16  -6.797  -3.945   3.633
  121    HB2  ABA  16           2HB      ABU  16  -8.270  -3.055   3.275
  122    HG1  ABA  16           3HG      ABU  16  -7.854  -1.595   5.175
  123    HG3  ABA  16           1HG      ABU  16  -6.397  -2.509   5.558
  124    HG2  ABA  16           2HG      ABU  16  -7.978  -3.284   5.650
  125    H    ARG  17           H        ARG  17  -7.486  -1.092   0.727
  126    HA   ARG  17           HA       ARG  17  -8.361   1.386   2.011
  127    HB2  ARG  17           2HB      ARG  17  -7.347   1.109  -0.811
  128    HB3  ARG  17           1HB      ARG  17  -7.866   2.591  -0.031
  129    HG2  ARG  17           2HG      ARG  17  -5.956   2.345   1.555
  130    HG3  ARG  17           1HG      ARG  17  -5.424   0.952   0.611
  131    HD2  ARG  17           2HD      ARG  17  -5.684   3.801  -0.345
  132    HD3  ARG  17           1HD      ARG  17  -4.192   2.900  -0.071
  133    HE   ARG  17           HE       ARG  17  -5.986   1.707  -1.974
  134   HH11  ARG  17          1HH1      ARG  17  -3.257   3.924  -1.567
  135   HH12  ARG  17          2HH1      ARG  17  -2.824   3.881  -3.218
  136   HH21  ARG  17          1HH2      ARG  17  -5.388   1.644  -4.174
  137   HH22  ARG  17          2HH2      ARG  17  -4.029   2.512  -4.726
  138    H    ARG  18           H        ARG  18 -10.444   1.483   1.967
  139    HA   ARG  18           HA       ARG  18 -12.614   1.231   1.450
  140    HB2  ARG  18           2HB      ARG  18 -11.748   2.695  -0.405
  141    HB3  ARG  18           1HB      ARG  18 -11.632   1.228  -1.362
  142    HG2  ARG  18           2HG      ARG  18 -14.048   0.940  -1.256
  143    HG3  ARG  18           1HG      ARG  18 -14.188   2.386  -0.253
  144    HD2  ARG  18           2HD      ARG  18 -14.706   2.902  -2.579
  145    HD3  ARG  18           1HD      ARG  18 -13.235   3.726  -2.063
  146    HE   ARG  18           HE       ARG  18 -13.136   1.196  -3.537
  147   HH11  ARG  18          1HH1      ARG  18 -12.268   4.631  -3.331
  148   HH12  ARG  18          2HH1      ARG  18 -11.081   4.559  -4.539
  149   HH21  ARG  18          1HH2      ARG  18 -11.533   1.101  -5.243
  150   HH22  ARG  18          2HH2      ARG  18 -10.651   2.497  -5.655
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -11.818  -1.108   2.234
    2    HA2  GLY   1           2HA      GLY   1 -12.650  -2.975   1.147
    3    HA3  GLY   1           1HA      GLY   1 -13.343  -1.885  -0.040
    4    H    VAL   2           H        VAL   2 -10.059  -1.246   0.240
    5    HA   VAL   2           HA       VAL   2  -9.511  -2.886  -2.139
    6    HB   VAL   2           HB       VAL   2  -8.207  -0.275  -1.292
    7   HG11  VAL   2          1HG1      VAL   2  -7.875  -1.876  -3.832
    8   HG12  VAL   2          2HG1      VAL   2  -6.675  -1.688  -2.552
    9   HG13  VAL   2          3HG1      VAL   2  -7.162  -0.293  -3.513
   10   HG21  VAL   2          3HG2      VAL   2 -10.196  -0.811  -3.498
   11   HG22  VAL   2          1HG2      VAL   2  -9.377   0.725  -3.215
   12   HG23  VAL   2          2HG2      VAL   2 -10.503   0.088  -2.016
   13    H    ABA   3           H        ABU   3  -7.793  -4.263  -2.073
   14    HA   ABA   3           HA       ABU   3  -5.941  -4.027   0.169
   15    HB3  ABA   3           1HB      ABU   3  -7.094  -6.615  -0.906
   16    HB2  ABA   3           2HB      ABU   3  -7.566  -5.856   0.611
   17    HG1  ABA   3           3HG      ABU   3  -5.319  -6.163   1.486
   18    HG3  ABA   3           1HG      ABU   3  -4.816  -6.892  -0.038
   19    HG2  ABA   3           2HG      ABU   3  -6.015  -7.700   0.972
   20    H    ARG   4           H        ARG   4  -4.140  -3.424  -0.754
   21    HA   ARG   4           HA       ARG   4  -2.929  -5.081  -2.781
   22    HB2  ARG   4           2HB      ARG   4  -4.257  -3.432  -4.104
   23    HB3  ARG   4           1HB      ARG   4  -3.398  -2.129  -3.299
   24    HG2  ARG   4           2HG      ARG   4  -2.479  -2.500  -5.511
   25    HG3  ARG   4           1HG      ARG   4  -1.288  -2.943  -4.282
   26    HD2  ARG   4           2HD      ARG   4  -1.986  -5.308  -4.526
   27    HD3  ARG   4           1HD      ARG   4  -3.078  -4.815  -5.820
   28    HE   ARG   4           HE       ARG   4  -0.501  -3.926  -6.401
   29   HH11  ARG   4          1HH1      ARG   4  -2.300  -6.964  -6.142
   30   HH12  ARG   4          2HH1      ARG   4  -1.307  -7.792  -7.262
   31   HH21  ARG   4          1HH2      ARG   4   0.832  -5.052  -7.907
   32   HH22  ARG   4          2HH2      ARG   4   0.507  -6.685  -8.292
   33    H    CYS   5           H        CYS   5  -0.692  -5.080  -2.464
   34    HA   CYS   5           HA       CYS   5   0.272  -3.096  -0.571
   35    HB2  CYS   5           2HB      CYS   5   1.641  -5.659  -1.375
   36    HB3  CYS   5           1HB      CYS   5   2.144  -4.560  -0.122
   37    H    VAL   6           H        VAL   6   1.988  -1.900  -0.966
   38    HA   VAL   6           HA       VAL   6   3.129  -1.920  -3.693
   39    HB   VAL   6           HB       VAL   6   2.493   0.539  -2.000
   40   HG11  VAL   6          1HG1      VAL   6   3.488   0.362  -4.843
   41   HG12  VAL   6          2HG1      VAL   6   4.425   0.865  -3.438
   42   HG13  VAL   6          3HG1      VAL   6   3.068   1.847  -3.987
   43   HG21  VAL   6          3HG2      VAL   6   0.768   1.081  -3.676
   44   HG22  VAL   6          1HG2      VAL   6   0.425  -0.432  -2.830
   45   HG23  VAL   6          2HG2      VAL   6   1.074  -0.466  -4.468
   46    H    CYS   7           H        CYS   7   5.447  -1.496  -3.671
   47    HA   CYS   7           HA       CYS   7   6.505  -1.152  -0.980
   48    HB2  CYS   7           2HB      CYS   7   7.762  -2.848  -3.145
   49    HB3  CYS   7           1HB      CYS   7   8.414  -2.576  -1.540
   50    H    ARG   8           H        ARG   8   8.170   0.187  -0.713
   51    HA   ARG   8           HA       ARG   8   9.290   1.523  -3.018
   52    HB2  ARG   8           2HB      ARG   8   7.182   2.742  -2.620
   53    HB3  ARG   8           1HB      ARG   8   7.642   2.997  -0.945
   54    HG2  ARG   8           2HG      ARG   8   7.964   5.022  -2.238
   55    HG3  ARG   8           1HG      ARG   8   9.508   4.402  -1.678
   56    HD2  ARG   8           2HD      ARG   8   9.649   5.169  -3.999
   57    HD3  ARG   8           1HD      ARG   8   9.949   3.442  -3.870
   58    HE   ARG   8           HE       ARG   8   7.609   3.142  -4.643
   59   HH11  ARG   8          1HH1      ARG   8   9.208   6.219  -5.404
   60   HH12  ARG   8          2HH1      ARG   8   8.381   6.437  -6.876
   61   HH21  ARG   8          1HH2      ARG   8   6.518   3.442  -6.630
   62   HH22  ARG   8          2HH2      ARG   8   6.799   4.812  -7.610
   63    H    ARG   9           H        ARG   9  11.363   1.722  -2.600
   64    HA   ARG   9           HA       ARG   9  13.345   2.034  -1.619
   65    HB2  ARG   9           2HB      ARG   9  12.249   4.129  -0.772
   66    HB3  ARG   9           1HB      ARG   9  11.796   3.215   0.657
   67    HG2  ARG   9           2HG      ARG   9  14.155   2.946   1.240
   68    HG3  ARG   9           1HG      ARG   9  14.620   3.850  -0.200
   69    HD2  ARG   9           2HD      ARG   9  13.444   5.805   0.626
   70    HD3  ARG   9           1HD      ARG   9  12.922   4.903   2.050
   71    HE   ARG   9           HE       ARG   9  15.759   4.971   1.701
   72   HH11  ARG   9          1HH1      ARG   9  13.003   6.747   3.031
   73   HH12  ARG   9          2HH1      ARG   9  13.931   7.584   4.194
   74   HH21  ARG   9          1HH2      ARG   9  17.014   6.124   3.269
   75   HH22  ARG   9          2HH2      ARG   9  16.271   7.212   4.338
   76    H    GLY  10           H        GLY  10  11.881  -0.386  -1.299
   77    HA2  GLY  10           2HA      GLY  10  12.417  -2.425  -0.385
   78    HA3  GLY  10           1HA      GLY  10  13.444  -1.585   0.769
   79    H    VAL  11           H        VAL  11  10.644   0.043   0.937
   80    HA   VAL  11           HA       VAL  11   9.809  -1.515   3.257
   81    HB   VAL  11           HB       VAL  11   9.240   1.383   2.569
   82   HG11  VAL  11          1HG1      VAL  11   8.484   1.583   4.898
   83   HG12  VAL  11          2HG1      VAL  11   8.735  -0.153   5.109
   84   HG13  VAL  11          3HG1      VAL  11   7.516   0.427   3.980
   85   HG21  VAL  11          3HG2      VAL  11  11.607   1.069   3.028
   86   HG22  VAL  11          1HG2      VAL  11  11.221   0.249   4.539
   87   HG23  VAL  11          2HG2      VAL  11  10.843   1.962   4.341
   88    H    CYS  12           H        CYS  12   7.938  -2.526   3.100
   89    HA   CYS  12           HA       CYS  12   6.328  -1.903   0.815
   90    HB2  CYS  12           2HB      CYS  12   6.424  -4.403   2.499
   91    HB3  CYS  12           1HB      CYS  12   5.245  -4.139   1.214
   92    H    ARG  13           H        ARG  13   4.251  -1.502   0.956
   93    HA   ARG  13           HA       ARG  13   3.210  -0.755   3.575
   94    HB2  ARG  13           2HB      ARG  13   4.263   1.083   2.412
   95    HB3  ARG  13           1HB      ARG  13   3.323   0.762   0.975
   96    HG2  ARG  13           2HG      ARG  13   1.275   1.396   2.178
   97    HG3  ARG  13           1HG      ARG  13   2.232   1.721   3.625
   98    HD2  ARG  13           2HD      ARG  13   1.800   3.794   2.429
   99    HD3  ARG  13           1HD      ARG  13   3.516   3.416   2.391
  100    HE   ARG  13           HE       ARG  13   1.746   2.769   0.138
  101   HH11  ARG  13          1HH1      ARG  13   4.749   4.274   1.290
  102   HH12  ARG  13          2HH1      ARG  13   5.166   4.905  -0.242
  103   HH21  ARG  13          1HH2      ARG  13   2.376   3.566  -1.934
  104   HH22  ARG  13          2HH2      ARG  13   3.810   4.454  -2.149
  105    H    CYS  14           H        CYS  14   1.513  -2.142   3.753
  106    HA   CYS  14           HA       CYS  14   0.099  -2.846   1.346
  107    HB2  CYS  14           2HB      CYS  14  -0.017  -4.052   4.096
  108    HB3  CYS  14           1HB      CYS  14  -1.093  -4.482   2.764
  109    H    VAL  15           H        VAL  15  -1.645  -1.981   0.768
  110    HA   VAL  15           HA       VAL  15  -3.079  -0.337   2.695
  111    HB   VAL  15           HB       VAL  15  -3.356  -0.492  -0.318
  112   HG11  VAL  15          1HG1      VAL  15  -4.472   1.505   1.645
  113   HG12  VAL  15          2HG1      VAL  15  -5.388   0.299   0.742
  114   HG13  VAL  15          3HG1      VAL  15  -4.597   1.625  -0.109
  115   HG21  VAL  15          3HG2      VAL  15  -1.891   1.562   1.344
  116   HG22  VAL  15          1HG2      VAL  15  -2.165   1.666  -0.395
  117   HG23  VAL  15          2HG2      VAL  15  -1.158   0.378   0.262
  118    H    ABA  16           H        ABU  16  -4.505  -1.528   3.675
  119    HA   ABA  16           HA       ABU  16  -6.376  -3.107   2.079
  120    HB3  ABA  16           1HB      ABU  16  -5.297  -3.874   4.823
  121    HB2  ABA  16           2HB      ABU  16  -4.821  -4.647   3.318
  122    HG1  ABA  16           3HG      ABU  16  -7.586  -4.669   4.509
  123    HG3  ABA  16           1HG      ABU  16  -6.432  -6.004   4.518
  124    HG2  ABA  16           2HG      ABU  16  -7.112  -5.432   2.994
  125    H    ARG  17           H        ARG  17  -7.628  -1.313   2.064
  126    HA   ARG  17           HA       ARG  17  -9.298  -0.812   4.276
  127    HB2  ARG  17           2HB      ARG  17  -8.631   1.529   4.686
  128    HB3  ARG  17           1HB      ARG  17  -7.344   0.411   5.112
  129    HG2  ARG  17           2HG      ARG  17  -6.416   0.912   2.779
  130    HG3  ARG  17           1HG      ARG  17  -7.515   2.287   2.782
  131    HD2  ARG  17           2HD      ARG  17  -5.372   3.030   3.556
  132    HD3  ARG  17           1HD      ARG  17  -6.489   3.026   4.921
  133    HE   ARG  17           HE       ARG  17  -5.369   0.636   5.193
  134   HH11  ARG  17          1HH1      ARG  17  -3.796   3.751   4.537
  135   HH12  ARG  17          2HH1      ARG  17  -2.351   3.336   5.335
  136   HH21  ARG  17          1HH2      ARG  17  -3.346   0.075   6.230
  137   HH22  ARG  17          2HH2      ARG  17  -2.082   1.209   6.301
  138    H    ARG  18           H        ARG  18 -10.924   0.769   3.685
  139    HA   ARG  18           HA       ARG  18 -12.475   1.661   2.315
  140    HB2  ARG  18           2HB      ARG  18 -10.283   3.006   1.616
  141    HB3  ARG  18           1HB      ARG  18 -10.492   2.047   0.153
  142    HG2  ARG  18           2HG      ARG  18 -12.998   3.080   0.552
  143    HG3  ARG  18           1HG      ARG  18 -11.949   4.401   1.051
  144    HD2  ARG  18           2HD      ARG  18 -12.346   4.719  -1.254
  145    HD3  ARG  18           1HD      ARG  18 -10.715   4.061  -1.137
  146    HE   ARG  18           HE       ARG  18 -12.542   1.965  -1.404
  147   HH11  ARG  18          1HH1      ARG  18 -10.991   4.464  -3.372
  148   HH12  ARG  18          2HH1      ARG  18 -11.320   3.722  -4.861
  149   HH21  ARG  18          1HH2      ARG  18 -13.047   0.961  -3.409
  150   HH22  ARG  18          2HH2      ARG  18 -12.559   1.627  -4.896
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -10.334  -0.584   2.297
    2    HA2  GLY   1           2HA      GLY   1 -11.347  -2.644   2.720
    3    HA3  GLY   1           1HA      GLY   1 -12.457  -2.322   1.392
    4    H    VAL   2           H        VAL   2  -9.885  -1.602  -0.231
    5    HA   VAL   2           HA       VAL   2  -9.458  -4.369  -1.089
    6    HB   VAL   2           HB       VAL   2  -8.649  -1.787  -2.468
    7   HG11  VAL   2          1HG1      VAL   2  -8.676  -4.623  -3.506
    8   HG12  VAL   2          2HG1      VAL   2  -7.247  -3.661  -3.139
    9   HG13  VAL   2          3HG1      VAL   2  -8.309  -3.186  -4.463
   10   HG21  VAL   2          3HG2      VAL   2 -11.081  -1.990  -2.335
   11   HG22  VAL   2          1HG2      VAL   2 -10.995  -3.606  -3.035
   12   HG23  VAL   2          2HG2      VAL   2 -10.527  -2.205  -3.998
   13    H    ABA   3           H        ABU   3  -7.641  -5.392  -0.544
   14    HA   ABA   3           HA       ABU   3  -5.613  -4.018   0.920
   15    HB3  ABA   3           1HB      ABU   3  -5.686  -6.892  -0.045
   16    HB2  ABA   3           2HB      ABU   3  -6.332  -6.332   1.488
   17    HG1  ABA   3           3HG      ABU   3  -4.180  -7.396   1.799
   18    HG3  ABA   3           1HG      ABU   3  -4.094  -5.683   2.209
   19    HG2  ABA   3           2HG      ABU   3  -3.441  -6.254   0.675
   20    H    ARG   4           H        ARG   4  -4.935  -2.560  -0.579
   21    HA   ARG   4           HA       ARG   4  -3.608  -3.320  -3.037
   22    HB2  ARG   4           2HB      ARG   4  -4.952  -1.297  -2.967
   23    HB3  ARG   4           1HB      ARG   4  -4.070  -0.721  -1.577
   24    HG2  ARG   4           2HG      ARG   4  -3.470   0.546  -3.541
   25    HG3  ARG   4           1HG      ARG   4  -2.085  -0.380  -2.989
   26    HD2  ARG   4           2HD      ARG   4  -3.854  -1.530  -5.087
   27    HD3  ARG   4           1HD      ARG   4  -2.728  -0.256  -5.544
   28    HE   ARG   4           HE       ARG   4  -1.147  -1.997  -4.244
   29   HH11  ARG   4          1HH1      ARG   4  -3.502  -2.515  -6.833
   30   HH12  ARG   4          2HH1      ARG   4  -2.590  -3.729  -7.596
   31   HH21  ARG   4          1HH2      ARG   4   0.083  -3.628  -5.280
   32   HH22  ARG   4          2HH2      ARG   4  -0.514  -4.402  -6.690
   33    H    CYS   5           H        CYS   5  -1.615  -4.223  -2.770
   34    HA   CYS   5           HA       CYS   5  -0.030  -3.197  -0.574
   35    HB2  CYS   5           2HB      CYS   5   0.700  -5.485  -2.393
   36    HB3  CYS   5           1HB      CYS   5   1.410  -5.084  -0.852
   37    H    VAL   6           H        VAL   6   1.765  -2.211  -0.789
   38    HA   VAL   6           HA       VAL   6   2.710  -1.596  -3.480
   39    HB   VAL   6           HB       VAL   6   1.145   0.197  -2.847
   40   HG11  VAL   6          1HG1      VAL   6   1.625   1.752  -1.011
   41   HG12  VAL   6          2HG1      VAL   6   2.946   0.700  -0.497
   42   HG13  VAL   6          3HG1      VAL   6   1.285   0.114  -0.449
   43   HG21  VAL   6          3HG2      VAL   6   3.013   0.813  -4.280
   44   HG22  VAL   6          1HG2      VAL   6   4.022   1.118  -2.868
   45   HG23  VAL   6          2HG2      VAL   6   2.626   2.147  -3.193
   46    H    CYS   7           H        CYS   7   4.903  -1.336  -3.610
   47    HA   CYS   7           HA       CYS   7   6.365  -1.386  -1.077
   48    HB2  CYS   7           2HB      CYS   7   7.298  -2.357  -3.763
   49    HB3  CYS   7           1HB      CYS   7   8.230  -2.363  -2.279
   50    H    ARG   8           H        ARG   8   7.594   0.129  -0.674
   51    HA   ARG   8           HA       ARG   8   8.542   1.993  -2.710
   52    HB2  ARG   8           2HB      ARG   8   6.355   2.924  -2.242
   53    HB3  ARG   8           1HB      ARG   8   6.649   2.851  -0.514
   54    HG2  ARG   8           2HG      ARG   8   8.358   4.564  -0.698
   55    HG3  ARG   8           1HG      ARG   8   8.167   4.597  -2.451
   56    HD2  ARG   8           2HD      ARG   8   5.999   5.257  -0.461
   57    HD3  ARG   8           1HD      ARG   8   6.982   6.448  -1.313
   58    HE   ARG   8           HE       ARG   8   5.903   4.838  -3.254
   59   HH11  ARG   8          1HH1      ARG   8   4.501   6.895  -0.719
   60   HH12  ARG   8          2HH1      ARG   8   3.162   7.336  -1.674
   61   HH21  ARG   8          1HH2      ARG   8   4.063   5.456  -4.506
   62   HH22  ARG   8          2HH2      ARG   8   2.919   6.541  -3.857
   63    H    ARG   9           H        ARG   9  10.507   2.653  -2.247
   64    HA   ARG   9           HA       ARG   9  12.412   3.223  -1.180
   65    HB2  ARG   9           2HB      ARG   9  10.811   4.753   0.011
   66    HB3  ARG   9           1HB      ARG   9  10.651   3.507   1.225
   67    HG2  ARG   9           2HG      ARG   9  12.985   3.799   1.862
   68    HG3  ARG   9           1HG      ARG   9  13.185   5.015   0.594
   69    HD2  ARG   9           2HD      ARG   9  11.246   5.196   2.888
   70    HD3  ARG   9           1HD      ARG   9  12.793   6.025   2.822
   71    HE   ARG   9           HE       ARG   9  11.860   7.060   0.722
   72   HH11  ARG   9          1HH1      ARG   9   9.770   6.126   3.443
   73   HH12  ARG   9          2HH1      ARG   9   8.609   7.317   3.120
   74   HH21  ARG   9          1HH2      ARG   9  10.221   8.696   0.289
   75   HH22  ARG   9          2HH2      ARG   9   8.868   8.817   1.298
   76    H    GLY  10           H        GLY  10  11.344   0.424  -1.171
   77    HA2  GLY  10           2HA      GLY  10  12.444  -1.533  -0.609
   78    HA3  GLY  10           1HA      GLY  10  13.290  -0.636   0.647
   79    H    VAL  11           H        VAL  11  10.099   0.171   0.910
   80    HA   VAL  11           HA       VAL  11   9.705  -1.862   2.974
   81    HB   VAL  11           HB       VAL  11   8.424   0.879   2.739
   82   HG11  VAL  11          1HG1      VAL  11   7.614   0.475   5.017
   83   HG12  VAL  11          2HG1      VAL  11   8.306  -1.146   4.976
   84   HG13  VAL  11          3HG1      VAL  11   6.992  -0.717   3.876
   85   HG21  VAL  11          3HG2      VAL  11  10.605  -0.045   4.611
   86   HG22  VAL  11          1HG2      VAL  11   9.802   1.523   4.662
   87   HG23  VAL  11          2HG2      VAL  11  10.797   1.089   3.272
   88    H    CYS  12           H        CYS  12   8.225  -3.312   2.463
   89    HA   CYS  12           HA       CYS  12   6.249  -2.553   0.499
   90    HB2  CYS  12           2HB      CYS  12   7.108  -5.278   1.487
   91    HB3  CYS  12           1HB      CYS  12   5.737  -5.037   0.414
   92    H    ARG  13           H        ARG  13   4.146  -2.400   1.061
   93    HA   ARG  13           HA       ARG  13   3.345  -3.407   3.658
   94    HB2  ARG  13           2HB      ARG  13   4.218  -1.160   4.062
   95    HB3  ARG  13           1HB      ARG  13   3.147  -0.514   2.837
   96    HG2  ARG  13           2HG      ARG  13   1.227  -0.955   4.167
   97    HG3  ARG  13           1HG      ARG  13   2.181  -1.865   5.350
   98    HD2  ARG  13           2HD      ARG  13   3.461   0.183   5.832
   99    HD3  ARG  13           1HD      ARG  13   2.450   1.067   4.695
  100    HE   ARG  13           HE       ARG  13   0.626   0.090   6.339
  101   HH11  ARG  13          1HH1      ARG  13   3.762   1.541   7.167
  102   HH12  ARG  13          2HH1      ARG  13   3.224   2.333   8.552
  103   HH21  ARG  13          1HH2      ARG  13  -0.156   1.195   8.270
  104   HH22  ARG  13          2HH2      ARG  13   0.922   2.151   9.181
  105    H    CYS  14           H        CYS  14   1.461  -4.353   3.457
  106    HA   CYS  14           HA       CYS  14  -0.190  -3.689   1.230
  107    HB2  CYS  14           2HB      CYS  14  -0.547  -5.774   3.380
  108    HB3  CYS  14           1HB      CYS  14  -1.701  -5.416   2.087
  109    H    VAL  15           H        VAL  15  -1.609  -2.229   1.297
  110    HA   VAL  15           HA       VAL  15  -2.506  -1.339   3.956
  111    HB   VAL  15           HB       VAL  15  -2.310   0.398   1.476
  112   HG11  VAL  15          1HG1      VAL  15  -2.796   1.130   4.366
  113   HG12  VAL  15          2HG1      VAL  15  -3.995   1.133   3.078
  114   HG13  VAL  15          3HG1      VAL  15  -2.643   2.264   3.023
  115   HG21  VAL  15          3HG2      VAL  15  -0.068  -0.247   2.217
  116   HG22  VAL  15          1HG2      VAL  15  -0.449   0.297   3.849
  117   HG23  VAL  15          2HG2      VAL  15  -0.367   1.464   2.527
  118    H    ABA  16           H        ABU  16  -4.581  -1.434   4.320
  119    HA   ABA  16           HA       ABU  16  -6.383  -2.381   2.325
  120    HB3  ABA  16           1HB      ABU  16  -6.948  -1.303   5.103
  121    HB2  ABA  16           2HB      ABU  16  -6.575  -2.984   4.744
  122    HG1  ABA  16           3HG      ABU  16  -8.969  -1.489   3.701
  123    HG3  ABA  16           1HG      ABU  16  -8.968  -2.623   5.052
  124    HG2  ABA  16           2HG      ABU  16  -8.591  -3.188   3.427
  125    H    ARG  17           H        ARG  17  -6.737  -1.008   0.761
  126    HA   ARG  17           HA       ARG  17  -7.216   1.816   1.321
  127    HB2  ARG  17           2HB      ARG  17  -6.641   0.384  -1.278
  128    HB3  ARG  17           1HB      ARG  17  -6.868   2.114  -1.094
  129    HG2  ARG  17           2HG      ARG  17  -4.640   0.495   0.129
  130    HG3  ARG  17           1HG      ARG  17  -4.511   1.528  -1.296
  131    HD2  ARG  17           2HD      ARG  17  -5.221   2.420   1.492
  132    HD3  ARG  17           1HD      ARG  17  -3.659   2.622   0.725
  133    HE   ARG  17           HE       ARG  17  -5.423   3.790  -1.004
  134   HH11  ARG  17          1HH1      ARG  17  -4.888   4.241   2.453
  135   HH12  ARG  17          2HH1      ARG  17  -5.062   5.921   2.420
  136   HH21  ARG  17          1HH2      ARG  17  -5.715   6.084  -1.077
  137   HH22  ARG  17          2HH2      ARG  17  -5.560   7.013   0.336
  138    H    ARG  18           H        ARG  18  -9.271   1.768   1.975
  139    HA   ARG  18           HA       ARG  18 -11.498   1.862   1.856
  140    HB2  ARG  18           2HB      ARG  18 -10.826   3.143  -0.250
  141    HB3  ARG  18           1HB      ARG  18 -11.173   1.639  -1.091
  142    HG2  ARG  18           2HG      ARG  18 -13.495   1.775  -0.524
  143    HG3  ARG  18           1HG      ARG  18 -13.204   3.174   0.522
  144    HD2  ARG  18           2HD      ARG  18 -12.795   3.059  -2.466
  145    HD3  ARG  18           1HD      ARG  18 -14.101   3.897  -1.622
  146    HE   ARG  18           HE       ARG  18 -12.153   5.150  -0.527
  147   HH11  ARG  18          1HH1      ARG  18 -12.212   4.117  -3.931
  148   HH12  ARG  18          2HH1      ARG  18 -11.164   5.342  -4.451
  149   HH21  ARG  18          1HH2      ARG  18 -10.710   6.787  -1.246
  150   HH22  ARG  18          2HH2      ARG  18 -10.252   6.887  -2.879
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -11.477  -1.375   2.112
    2    HA2  GLY   1           2HA      GLY   1 -12.100  -3.302   1.004
    3    HA3  GLY   1           1HA      GLY   1 -12.896  -2.312  -0.202
    4    H    VAL   2           H        VAL   2 -10.048  -0.853  -0.090
    5    HA   VAL   2           HA       VAL   2  -9.060  -2.441  -2.293
    6    HB   VAL   2           HB       VAL   2  -8.126   0.266  -1.272
    7   HG11  VAL   2          1HG1      VAL   2  -7.296  -1.249  -3.759
    8   HG12  VAL   2          2HG1      VAL   2  -6.289  -0.962  -2.340
    9   HG13  VAL   2          3HG1      VAL   2  -6.806   0.395  -3.340
   10   HG21  VAL   2          3HG2      VAL   2  -9.701  -0.484  -3.730
   11   HG22  VAL   2          1HG2      VAL   2  -9.154   1.138  -3.314
   12   HG23  VAL   2          2HG2      VAL   2 -10.345   0.322  -2.297
   13    H    ABA   3           H        ABU   3  -7.951  -4.081  -1.724
   14    HA   ABA   3           HA       ABU   3  -5.887  -3.822   0.330
   15    HB3  ABA   3           1HB      ABU   3  -7.291  -6.281  -0.750
   16    HB2  ABA   3           2HB      ABU   3  -7.557  -5.550   0.830
   17    HG1  ABA   3           3HG      ABU   3  -6.200  -7.530   1.036
   18    HG3  ABA   3           1HG      ABU   3  -5.254  -6.105   1.468
   19    HG2  ABA   3           2HG      ABU   3  -5.021  -6.873  -0.100
   20    H    ARG   4           H        ARG   4  -4.036  -3.380  -0.597
   21    HA   ARG   4           HA       ARG   4  -2.979  -5.070  -2.690
   22    HB2  ARG   4           2HB      ARG   4  -4.112  -3.325  -4.007
   23    HB3  ARG   4           1HB      ARG   4  -3.283  -2.083  -3.083
   24    HG2  ARG   4           2HG      ARG   4  -1.141  -2.807  -3.969
   25    HG3  ARG   4           1HG      ARG   4  -1.936  -4.112  -4.847
   26    HD2  ARG   4           2HD      ARG   4  -3.149  -2.529  -6.178
   27    HD3  ARG   4           1HD      ARG   4  -2.481  -1.178  -5.256
   28    HE   ARG   4           HE       ARG   4  -0.284  -2.427  -6.158
   29   HH11  ARG   4          1HH1      ARG   4  -3.215  -1.406  -7.862
   30   HH12  ARG   4          2HH1      ARG   4  -2.416  -0.995  -9.304
   31   HH21  ARG   4          1HH2      ARG   4   0.833  -1.888  -8.176
   32   HH22  ARG   4          2HH2      ARG   4  -0.065  -1.278  -9.481
   33    H    CYS   5           H        CYS   5  -0.781  -5.248  -2.445
   34    HA   CYS   5           HA       CYS   5   0.360  -3.533  -0.415
   35    HB2  CYS   5           2HB      CYS   5   1.508  -6.056  -1.577
   36    HB3  CYS   5           1HB      CYS   5   2.149  -5.156  -0.219
   37    H    VAL   6           H        VAL   6   2.146  -2.405  -0.713
   38    HA   VAL   6           HA       VAL   6   3.006  -2.001  -3.499
   39    HB   VAL   6           HB       VAL   6   2.522   0.186  -1.457
   40   HG11  VAL   6          1HG1      VAL   6   3.247   0.372  -4.370
   41   HG12  VAL   6          2HG1      VAL   6   4.293   0.734  -2.994
   42   HG13  VAL   6          3HG1      VAL   6   2.879   1.736  -3.314
   43   HG21  VAL   6          3HG2      VAL   6   0.629   0.900  -2.891
   44   HG22  VAL   6          1HG2      VAL   6   0.374  -0.689  -2.169
   45   HG23  VAL   6          2HG2      VAL   6   0.842  -0.555  -3.859
   46    H    CYS   7           H        CYS   7   5.187  -2.071  -3.643
   47    HA   CYS   7           HA       CYS   7   6.681  -1.681  -1.158
   48    HB2  CYS   7           2HB      CYS   7   7.614  -2.984  -3.706
   49    HB3  CYS   7           1HB      CYS   7   8.566  -2.795  -2.250
   50    H    ARG   8           H        ARG   8   8.070  -0.170  -0.942
   51    HA   ARG   8           HA       ARG   8   8.892   1.526  -3.134
   52    HB2  ARG   8           2HB      ARG   8   6.520   2.214  -2.621
   53    HB3  ARG   8           1HB      ARG   8   7.065   2.627  -1.008
   54    HG2  ARG   8           2HG      ARG   8   8.624   4.255  -1.971
   55    HG3  ARG   8           1HG      ARG   8   7.978   3.881  -3.571
   56    HD2  ARG   8           2HD      ARG   8   6.417   4.962  -1.243
   57    HD3  ARG   8           1HD      ARG   8   6.942   5.891  -2.646
   58    HE   ARG   8           HE       ARG   8   5.531   4.168  -3.908
   59   HH11  ARG   8          1HH1      ARG   8   4.792   5.422  -0.674
   60   HH12  ARG   8          2HH1      ARG   8   3.109   5.300  -0.832
   61   HH21  ARG   8          1HH2      ARG   8   3.141   4.046  -4.160
   62   HH22  ARG   8          2HH2      ARG   8   2.157   4.500  -2.863
   63    H    ARG   9           H        ARG   9  10.793   2.424  -2.562
   64    HA   ARG   9           HA       ARG   9  12.515   3.267  -1.397
   65    HB2  ARG   9           2HB      ARG   9  10.663   4.739  -0.521
   66    HB3  ARG   9           1HB      ARG   9  10.545   3.628   0.827
   67    HG2  ARG   9           2HG      ARG   9  12.772   4.256   1.580
   68    HG3  ARG   9           1HG      ARG   9  12.971   5.295   0.171
   69    HD2  ARG   9           2HD      ARG   9  11.117   6.685   0.896
   70    HD3  ARG   9           1HD      ARG   9  10.839   5.630   2.277
   71    HE   ARG   9           HE       ARG   9  13.456   6.458   2.457
   72   HH11  ARG   9          1HH1      ARG   9  10.322   8.134   2.355
   73   HH12  ARG   9          2HH1      ARG   9  10.810   9.350   3.443
   74   HH21  ARG   9          1HH2      ARG   9  14.092   8.165   3.906
   75   HH22  ARG   9          2HH2      ARG   9  12.977   9.384   4.328
   76    H    GLY  10           H        GLY  10  11.662   0.407  -1.139
   77    HA2  GLY  10           2HA      GLY  10  13.036  -1.324  -0.371
   78    HA3  GLY  10           1HA      GLY  10  13.554  -0.259   0.925
   79    H    VAL  11           H        VAL  11  10.319   0.143   0.994
   80    HA   VAL  11           HA       VAL  11  10.037  -2.134   2.803
   81    HB   VAL  11           HB       VAL  11   8.515  -0.794   4.221
   82   HG11  VAL  11          1HG1      VAL  11  10.832  -0.930   4.878
   83   HG12  VAL  11          2HG1      VAL  11  10.184   0.663   5.273
   84   HG13  VAL  11          3HG1      VAL  11  11.225   0.457   3.866
   85   HG21  VAL  11          3HG2      VAL  11   8.384   1.650   3.980
   86   HG22  VAL  11          1HG2      VAL  11   7.714   0.821   2.574
   87   HG23  VAL  11          2HG2      VAL  11   9.317   1.551   2.487
   88    H    CYS  12           H        CYS  12   7.890  -2.983   2.983
   89    HA   CYS  12           HA       CYS  12   6.312  -2.288   0.659
   90    HB2  CYS  12           2HB      CYS  12   6.654  -5.028   1.910
   91    HB3  CYS  12           1HB      CYS  12   5.561  -4.655   0.586
   92    H    ARG  13           H        ARG  13   4.431  -1.537   1.106
   93    HA   ARG  13           HA       ARG  13   3.387  -1.816   3.837
   94    HB2  ARG  13           2HB      ARG  13   4.093   0.438   3.085
   95    HB3  ARG  13           1HB      ARG  13   2.935   0.346   1.772
   96    HG2  ARG  13           2HG      ARG  13   2.043   1.715   3.558
   97    HG3  ARG  13           1HG      ARG  13   1.105   0.225   3.442
   98    HD2  ARG  13           2HD      ARG  13   1.630   0.848   5.774
   99    HD3  ARG  13           1HD      ARG  13   2.294  -0.720   5.315
  100    HE   ARG  13           HE       ARG  13   3.979   1.648   5.126
  101   HH11  ARG  13          1HH1      ARG  13   3.220  -1.375   6.822
  102   HH12  ARG  13          2HH1      ARG  13   4.737  -1.503   7.578
  103   HH21  ARG  13          1HH2      ARG  13   6.047   1.501   6.202
  104   HH22  ARG  13          2HH2      ARG  13   6.389   0.193   7.237
  105    H    CYS  14           H        CYS  14   1.540  -3.015   3.943
  106    HA   CYS  14           HA       CYS  14   0.127  -3.345   1.467
  107    HB2  CYS  14           2HB      CYS  14  -0.214  -4.861   4.047
  108    HB3  CYS  14           1HB      CYS  14  -1.194  -5.049   2.583
  109    H    VAL  15           H        VAL  15  -1.421  -2.229   0.919
  110    HA   VAL  15           HA       VAL  15  -2.647  -0.457   2.841
  111    HB   VAL  15           HB       VAL  15  -2.912  -0.553  -0.184
  112   HG11  VAL  15          1HG1      VAL  15  -3.829   1.554   1.773
  113   HG12  VAL  15          2HG1      VAL  15  -4.864   0.476   0.838
  114   HG13  VAL  15          3HG1      VAL  15  -3.889   1.692   0.015
  115   HG21  VAL  15          3HG2      VAL  15  -1.460   1.431  -0.184
  116   HG22  VAL  15          1HG2      VAL  15  -0.641   0.028   0.500
  117   HG23  VAL  15          2HG2      VAL  15  -1.271   1.284   1.563
  118    H    ABA  16           H        ABU  16  -4.493  -0.963   3.722
  119    HA   ABA  16           HA       ABU  16  -6.445  -2.606   2.259
  120    HB3  ABA  16           1HB      ABU  16  -7.074  -3.665   4.417
  121    HB2  ABA  16           2HB      ABU  16  -5.760  -2.808   5.214
  122    HG1  ABA  16           3HG      ABU  16  -5.461  -4.917   3.102
  123    HG3  ABA  16           1HG      ABU  16  -5.154  -5.106   4.826
  124    HG2  ABA  16           2HG      ABU  16  -4.134  -4.036   3.861
  125    H    ARG  17           H        ARG  17  -7.411  -0.588   1.720
  126    HA   ARG  17           HA       ARG  17  -8.806   0.668   3.962
  127    HB2  ARG  17           2HB      ARG  17  -7.206   2.231   1.920
  128    HB3  ARG  17           1HB      ARG  17  -8.271   2.942   3.124
  129    HG2  ARG  17           2HG      ARG  17  -6.862   2.130   4.912
  130    HG3  ARG  17           1HG      ARG  17  -5.846   1.275   3.757
  131    HD2  ARG  17           2HD      ARG  17  -4.706   3.276   4.359
  132    HD3  ARG  17           1HD      ARG  17  -5.327   3.472   2.722
  133    HE   ARG  17           HE       ARG  17  -7.212   4.529   4.451
  134   HH11  ARG  17          1HH1      ARG  17  -3.890   5.188   3.446
  135   HH12  ARG  17          2HH1      ARG  17  -3.935   6.844   3.800
  136   HH21  ARG  17          1HH2      ARG  17  -7.284   6.873   4.907
  137   HH22  ARG  17          2HH2      ARG  17  -5.893   7.816   4.617
  138    H    ARG  18           H        ARG  18 -10.831   0.841   3.564
  139    HA   ARG  18           HA       ARG  18 -12.862   0.906   2.594
  140    HB2  ARG  18           2HB      ARG  18 -11.920   3.177   1.963
  141    HB3  ARG  18           1HB      ARG  18 -11.524   2.440   0.420
  142    HG2  ARG  18           2HG      ARG  18 -13.902   2.012  -0.004
  143    HG3  ARG  18           1HG      ARG  18 -14.301   2.773   1.539
  144    HD2  ARG  18           2HD      ARG  18 -12.929   4.096  -0.792
  145    HD3  ARG  18           1HD      ARG  18 -14.617   4.311  -0.346
  146    HE   ARG  18           HE       ARG  18 -13.747   5.233   1.790
  147   HH11  ARG  18          1HH1      ARG  18 -11.716   5.366  -1.117
  148   HH12  ARG  18          2HH1      ARG  18 -10.892   6.778  -0.642
  149   HH21  ARG  18          1HH2      ARG  18 -12.629   7.246   2.398
  150   HH22  ARG  18          2HH2      ARG  18 -11.452   7.880   1.351
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -10.528  -0.865   2.145
    2    HA2  GLY   1           2HA      GLY   1 -11.641  -2.929   2.263
    3    HA3  GLY   1           1HA      GLY   1 -12.577  -2.445   0.855
    4    H    VAL   2           H        VAL   2 -10.222  -1.563  -0.659
    5    HA   VAL   2           HA       VAL   2  -9.630  -4.156  -1.763
    6    HB   VAL   2           HB       VAL   2  -8.782  -1.399  -2.713
    7   HG11  VAL   2          1HG1      VAL   2  -8.628  -4.062  -4.133
    8   HG12  VAL   2          2HG1      VAL   2  -7.259  -3.129  -3.537
    9   HG13  VAL   2          3HG1      VAL   2  -8.258  -2.491  -4.845
   10   HG21  VAL   2          3HG2      VAL   2 -11.197  -1.710  -2.771
   11   HG22  VAL   2          1HG2      VAL   2 -10.995  -3.216  -3.662
   12   HG23  VAL   2          2HG2      VAL   2 -10.539  -1.686  -4.409
   13    H    ABA   3           H        ABU   3  -8.087  -5.293  -0.896
   14    HA   ABA   3           HA       ABU   3  -5.944  -4.119   0.610
   15    HB3  ABA   3           1HB      ABU   3  -6.445  -7.002  -0.149
   16    HB2  ABA   3           2HB      ABU   3  -6.994  -6.221   1.329
   17    HG1  ABA   3           3HG      ABU   3  -5.010  -7.595   1.712
   18    HG3  ABA   3           1HG      ABU   3  -4.692  -5.889   2.034
   19    HG2  ABA   3           2HG      ABU   3  -4.118  -6.625   0.543
   20    H    ARG   4           H        ARG   4  -4.369  -3.163  -0.430
   21    HA   ARG   4           HA       ARG   4  -2.898  -4.709  -2.383
   22    HB2  ARG   4           2HB      ARG   4  -2.545  -2.651  -3.781
   23    HB3  ARG   4           1HB      ARG   4  -4.175  -3.298  -3.827
   24    HG2  ARG   4           2HG      ARG   4  -4.923  -1.562  -2.297
   25    HG3  ARG   4           1HG      ARG   4  -3.276  -0.929  -2.205
   26    HD2  ARG   4           2HD      ARG   4  -4.730   0.338  -3.772
   27    HD3  ARG   4           1HD      ARG   4  -3.307  -0.361  -4.545
   28    HE   ARG   4           HE       ARG   4  -5.241  -2.238  -4.895
   29   HH11  ARG   4          1HH1      ARG   4  -5.128   1.202  -5.691
   30   HH12  ARG   4          2HH1      ARG   4  -6.001   1.032  -7.139
   31   HH21  ARG   4          1HH2      ARG   4  -6.441  -2.469  -6.806
   32   HH22  ARG   4          2HH2      ARG   4  -6.795  -1.117  -7.781
   33    H    CYS   5           H        CYS   5  -0.672  -3.887  -2.605
   34    HA   CYS   5           HA       CYS   5   0.047  -2.761  -0.026
   35    HB2  CYS   5           2HB      CYS   5   1.770  -4.591  -1.694
   36    HB3  CYS   5           1HB      CYS   5   2.020  -4.112  -0.022
   37    H    VAL   6           H        VAL   6   1.640  -1.329   0.157
   38    HA   VAL   6           HA       VAL   6   2.291   0.116  -2.301
   39    HB   VAL   6           HB       VAL   6   2.368   1.060   0.589
   40   HG11  VAL   6          1HG1      VAL   6   3.934   2.254  -0.838
   41   HG12  VAL   6          2HG1      VAL   6   2.602   3.304  -0.344
   42   HG13  VAL   6          3HG1      VAL   6   2.635   2.626  -1.970
   43   HG21  VAL   6          3HG2      VAL   6   0.356   2.378   0.053
   44   HG22  VAL   6          1HG2      VAL   6   0.068   0.644  -0.098
   45   HG23  VAL   6          2HG2      VAL   6   0.300   1.628  -1.542
   46    H    CYS   7           H        CYS   7   4.287  -0.296  -2.973
   47    HA   CYS   7           HA       CYS   7   6.334  -0.973  -0.980
   48    HB2  CYS   7           2HB      CYS   7   6.274  -1.685  -3.890
   49    HB3  CYS   7           1HB      CYS   7   7.567  -2.048  -2.770
   50    H    ARG   8           H        ARG   8   7.917   0.230  -0.795
   51    HA   ARG   8           HA       ARG   8   8.941   1.921  -2.857
   52    HB2  ARG   8           2HB      ARG   8   8.457   4.095  -1.793
   53    HB3  ARG   8           1HB      ARG   8   7.021   3.276  -2.377
   54    HG2  ARG   8           2HG      ARG   8   6.620   2.529  -0.002
   55    HG3  ARG   8           1HG      ARG   8   7.930   3.617   0.471
   56    HD2  ARG   8           2HD      ARG   8   5.375   4.363  -0.946
   57    HD3  ARG   8           1HD      ARG   8   5.819   4.758   0.714
   58    HE   ARG   8           HE       ARG   8   7.633   6.099  -0.215
   59   HH11  ARG   8          1HH1      ARG   8   4.990   5.312  -2.447
   60   HH12  ARG   8          2HH1      ARG   8   5.072   6.768  -3.311
   61   HH21  ARG   8          1HH2      ARG   8   7.812   8.092  -1.478
   62   HH22  ARG   8          2HH2      ARG   8   6.762   8.350  -2.789
   63    H    ARG   9           H        ARG   9  10.930   2.677  -2.434
   64    HA   ARG   9           HA       ARG   9  12.981   2.758  -1.527
   65    HB2  ARG   9           2HB      ARG   9  11.799   4.317   0.046
   66    HB3  ARG   9           1HB      ARG   9  11.537   2.929   1.093
   67    HG2  ARG   9           2HG      ARG   9  13.921   2.727   1.477
   68    HG3  ARG   9           1HG      ARG   9  14.241   4.040   0.346
   69    HD2  ARG   9           2HD      ARG   9  12.637   4.285   2.885
   70    HD3  ARG   9           1HD      ARG   9  14.321   4.763   2.711
   71    HE   ARG   9           HE       ARG   9  13.186   6.166   0.769
   72   HH11  ARG   9          1HH1      ARG   9  12.131   5.738   4.116
   73   HH12  ARG   9          2HH1      ARG   9  11.470   7.299   4.273
   74   HH21  ARG   9          1HH2      ARG   9  12.270   8.359   0.989
   75   HH22  ARG   9          2HH2      ARG   9  11.566   8.799   2.467
   76    H    GLY  10           H        GLY  10  11.512   0.195  -1.795
   77    HA2  GLY  10           2HA      GLY  10  12.335  -1.953  -1.723
   78    HA3  GLY  10           1HA      GLY  10  13.493  -1.423  -0.517
   79    H    VAL  11           H        VAL  11  10.518  -0.329   0.534
   80    HA   VAL  11           HA       VAL  11  10.131  -2.796   2.052
   81    HB   VAL  11           HB       VAL  11  10.969  -0.909   3.479
   82   HG11  VAL  11          1HG1      VAL  11   8.413   0.473   2.738
   83   HG12  VAL  11          2HG1      VAL  11  10.052   0.999   2.354
   84   HG13  VAL  11          3HG1      VAL  11   9.500   0.975   4.029
   85   HG21  VAL  11          3HG2      VAL  11   9.622  -2.624   4.540
   86   HG22  VAL  11          1HG2      VAL  11   8.145  -1.764   4.103
   87   HG23  VAL  11          2HG2      VAL  11   9.274  -1.054   5.256
   88    H    CYS  12           H        CYS  12   7.968  -3.435   2.392
   89    HA   CYS  12           HA       CYS  12   6.109  -1.984   0.703
   90    HB2  CYS  12           2HB      CYS  12   6.274  -4.976   1.140
   91    HB3  CYS  12           1HB      CYS  12   4.974  -4.165   0.281
   92    H    ARG  13           H        ARG  13   4.056  -1.736   1.581
   93    HA   ARG  13           HA       ARG  13   3.466  -3.045   4.116
   94    HB2  ARG  13           2HB      ARG  13   4.262  -0.865   4.752
   95    HB3  ARG  13           1HB      ARG  13   3.273  -0.095   3.525
   96    HG2  ARG  13           2HG      ARG  13   1.258  -0.693   4.748
   97    HG3  ARG  13           1HG      ARG  13   2.228  -1.535   5.957
   98    HD2  ARG  13           2HD      ARG  13   1.501   0.809   6.568
   99    HD3  ARG  13           1HD      ARG  13   3.228   0.477   6.702
  100    HE   ARG  13           HE       ARG  13   3.552   1.611   4.618
  101   HH11  ARG  13          1HH1      ARG  13   0.414   2.257   6.154
  102   HH12  ARG  13          2HH1      ARG  13   0.208   3.752   5.383
  103   HH21  ARG  13          1HH2      ARG  13   3.244   3.635   3.564
  104   HH22  ARG  13          2HH2      ARG  13   1.843   4.554   3.856
  105    H    CYS  14           H        CYS  14   1.519  -3.957   4.033
  106    HA   CYS  14           HA       CYS  14  -0.104  -3.364   1.747
  107    HB2  CYS  14           2HB      CYS  14  -0.333  -5.604   3.739
  108    HB3  CYS  14           1HB      CYS  14  -1.306  -5.400   2.277
  109    H    VAL  15           H        VAL  15  -1.812  -2.241   1.739
  110    HA   VAL  15           HA       VAL  15  -3.102  -1.642   4.308
  111    HB   VAL  15           HB       VAL  15  -2.622   0.406   2.111
  112   HG11  VAL  15          1HG1      VAL  15  -3.446   2.052   3.722
  113   HG12  VAL  15          2HG1      VAL  15  -3.732   0.768   4.890
  114   HG13  VAL  15          3HG1      VAL  15  -4.661   0.812   3.391
  115   HG21  VAL  15          3HG2      VAL  15  -0.505  -0.099   3.209
  116   HG22  VAL  15          1HG2      VAL  15  -1.245   0.164   4.788
  117   HG23  VAL  15          2HG2      VAL  15  -1.060   1.511   3.668
  118    H    ABA  16           H        ABU  16  -5.226  -1.841   4.236
  119    HA   ABA  16           HA       ABU  16  -6.533  -2.708   1.827
  120    HB3  ABA  16           1HB      ABU  16  -8.515  -2.933   3.273
  121    HB2  ABA  16           2HB      ABU  16  -7.657  -2.130   4.583
  122    HG1  ABA  16           3HG      ABU  16  -6.041  -3.961   4.632
  123    HG3  ABA  16           1HG      ABU  16  -6.946  -4.783   3.362
  124    HG2  ABA  16           2HG      ABU  16  -7.686  -4.505   4.944
  125    H    ARG  17           H        ARG  17  -6.789  -1.147   0.400
  126    HA   ARG  17           HA       ARG  17  -7.300   1.569   1.244
  127    HB2  ARG  17           2HB      ARG  17  -7.104   0.490  -1.572
  128    HB3  ARG  17           1HB      ARG  17  -7.017   2.170  -1.072
  129    HG2  ARG  17           2HG      ARG  17  -4.974   0.016  -0.543
  130    HG3  ARG  17           1HG      ARG  17  -4.826   1.362  -1.665
  131    HD2  ARG  17           2HD      ARG  17  -4.944   1.482   1.342
  132    HD3  ARG  17           1HD      ARG  17  -3.549   1.823   0.321
  133    HE   ARG  17           HE       ARG  17  -5.997   3.431   0.283
  134   HH11  ARG  17          1HH1      ARG  17  -2.476   3.274   0.286
  135   HH12  ARG  17          2HH1      ARG  17  -2.257   4.951   0.467
  136   HH21  ARG  17          1HH2      ARG  17  -5.732   5.712   0.516
  137   HH22  ARG  17          2HH2      ARG  17  -4.173   6.384   0.582
  138    H    ARG  18           H        ARG  18  -9.359   1.585   2.019
  139    HA   ARG  18           HA       ARG  18 -11.638   1.628   2.048
  140    HB2  ARG  18           2HB      ARG  18 -11.147   3.259   0.207
  141    HB3  ARG  18           1HB      ARG  18 -11.267   1.911  -0.901
  142    HG2  ARG  18           2HG      ARG  18 -13.648   1.660  -0.330
  143    HG3  ARG  18           1HG      ARG  18 -13.523   3.066   0.736
  144    HD2  ARG  18           2HD      ARG  18 -12.910   4.471  -1.130
  145    HD3  ARG  18           1HD      ARG  18 -12.884   3.082  -2.208
  146    HE   ARG  18           HE       ARG  18 -15.397   3.662  -0.873
  147   HH11  ARG  18          1HH1      ARG  18 -13.458   3.900  -3.827
  148   HH12  ARG  18          2HH1      ARG  18 -14.762   4.263  -4.841
  149   HH21  ARG  18          1HH2      ARG  18 -17.194   4.175  -2.255
  150   HH22  ARG  18          2HH2      ARG  18 -16.960   4.422  -3.929
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -10.319  -0.192   1.903
    2    HA2  GLY   1           2HA      GLY   1 -11.375  -2.131   2.533
    3    HA3  GLY   1           1HA      GLY   1 -12.535  -1.870   1.243
    4    H    VAL   2           H        VAL   2  -9.563  -1.683  -0.204
    5    HA   VAL   2           HA       VAL   2  -9.671  -4.533  -0.902
    6    HB   VAL   2           HB       VAL   2  -8.554  -2.260  -2.567
    7   HG11  VAL   2          1HG1      VAL   2  -7.633  -4.451  -3.090
    8   HG12  VAL   2          2HG1      VAL   2  -8.639  -3.848  -4.406
    9   HG13  VAL   2          3HG1      VAL   2  -9.264  -5.083  -3.308
   10   HG21  VAL   2          3HG2      VAL   2 -10.948  -1.922  -2.294
   11   HG22  VAL   2          1HG2      VAL   2 -11.258  -3.584  -2.798
   12   HG23  VAL   2          2HG2      VAL   2 -10.580  -2.428  -3.944
   13    H    ABA   3           H        ABU   3  -7.768  -5.716  -0.691
   14    HA   ABA   3           HA       ABU   3  -5.709  -4.405   0.839
   15    HB3  ABA   3           1HB      ABU   3  -5.934  -7.309  -0.007
   16    HB2  ABA   3           2HB      ABU   3  -6.561  -6.651   1.497
   17    HG1  ABA   3           3HG      ABU   3  -4.284  -6.077   2.198
   18    HG3  ABA   3           1HG      ABU   3  -3.661  -6.763   0.699
   19    HG2  ABA   3           2HG      ABU   3  -4.461  -7.803   1.876
   20    H    ARG   4           H        ARG   4  -5.067  -3.037  -0.847
   21    HA   ARG   4           HA       ARG   4  -3.372  -4.272  -2.913
   22    HB2  ARG   4           2HB      ARG   4  -4.372  -1.428  -2.647
   23    HB3  ARG   4           1HB      ARG   4  -3.359  -2.023  -3.948
   24    HG2  ARG   4           2HG      ARG   4  -6.182  -2.897  -3.368
   25    HG3  ARG   4           1HG      ARG   4  -5.681  -1.759  -4.615
   26    HD2  ARG   4           2HD      ARG   4  -4.303  -3.578  -5.621
   27    HD3  ARG   4           1HD      ARG   4  -4.989  -4.688  -4.436
   28    HE   ARG   4           HE       ARG   4  -6.975  -3.284  -5.919
   29   HH11  ARG   4          1HH1      ARG   4  -4.813  -6.091  -6.073
   30   HH12  ARG   4          2HH1      ARG   4  -5.763  -6.971  -7.172
   31   HH21  ARG   4          1HH2      ARG   4  -8.284  -4.519  -7.481
   32   HH22  ARG   4          2HH2      ARG   4  -7.774  -6.054  -7.990
   33    H    CYS   5           H        CYS   5  -1.244  -4.304  -2.437
   34    HA   CYS   5           HA       CYS   5  -0.401  -2.775  -0.107
   35    HB2  CYS   5           2HB      CYS   5   1.128  -4.904  -1.583
   36    HB3  CYS   5           1HB      CYS   5   1.436  -4.293   0.029
   37    H    VAL   6           H        VAL   6   1.373  -1.446  -0.131
   38    HA   VAL   6           HA       VAL   6   2.129  -0.478  -2.788
   39    HB   VAL   6           HB       VAL   6   2.065   0.997  -0.137
   40   HG11  VAL   6          1HG1      VAL   6   3.870   1.822  -1.538
   41   HG12  VAL   6          2HG1      VAL   6   2.578   3.016  -1.440
   42   HG13  VAL   6          3HG1      VAL   6   2.756   2.029  -2.887
   43   HG21  VAL   6          3HG2      VAL   6   0.261   2.328  -1.152
   44   HG22  VAL   6          1HG2      VAL   6  -0.172   0.626  -0.993
   45   HG23  VAL   6          2HG2      VAL   6   0.293   1.271  -2.563
   46    H    CYS   7           H        CYS   7   4.240  -0.785  -3.280
   47    HA   CYS   7           HA       CYS   7   6.048  -1.199  -1.024
   48    HB2  CYS   7           2HB      CYS   7   6.553  -1.845  -3.920
   49    HB3  CYS   7           1HB      CYS   7   7.614  -2.204  -2.573
   50    H    ARG   8           H        ARG   8   7.557   0.111  -0.610
   51    HA   ARG   8           HA       ARG   8   8.381   2.187  -2.406
   52    HB2  ARG   8           2HB      ARG   8   6.129   2.969  -1.642
   53    HB3  ARG   8           1HB      ARG   8   6.707   2.919   0.010
   54    HG2  ARG   8           2HG      ARG   8   6.683   5.190  -0.863
   55    HG3  ARG   8           1HG      ARG   8   8.326   4.674  -0.486
   56    HD2  ARG   8           2HD      ARG   8   8.166   5.899  -2.625
   57    HD3  ARG   8           1HD      ARG   8   8.780   4.264  -2.829
   58    HE   ARG   8           HE       ARG   8   6.080   4.061  -3.244
   59   HH11  ARG   8          1HH1      ARG   8   8.620   6.063  -4.694
   60   HH12  ARG   8          2HH1      ARG   8   7.917   6.037  -6.240
   61   HH21  ARG   8          1HH2      ARG   8   5.137   4.053  -5.371
   62   HH22  ARG   8          2HH2      ARG   8   5.899   4.920  -6.633
   63    H    ARG   9           H        ARG   9  10.283   3.104  -1.671
   64    HA   ARG   9           HA       ARG   9  12.135   3.488  -0.436
   65    HB2  ARG   9           2HB      ARG   9  10.314   4.138   1.298
   66    HB3  ARG   9           1HB      ARG   9  10.676   2.563   1.994
   67    HG2  ARG   9           2HG      ARG   9  11.895   4.212   3.214
   68    HG3  ARG   9           1HG      ARG   9  13.034   3.279   2.244
   69    HD2  ARG   9           2HD      ARG   9  13.068   5.036   0.559
   70    HD3  ARG   9           1HD      ARG   9  11.900   5.969   1.494
   71    HE   ARG   9           HE       ARG   9  14.603   5.285   2.383
   72   HH11  ARG   9          1HH1      ARG   9  11.889   7.596   2.233
   73   HH12  ARG   9          2HH1      ARG   9  12.707   8.796   3.108
   74   HH21  ARG   9          1HH2      ARG   9  15.678   6.967   3.586
   75   HH22  ARG   9          2HH2      ARG   9  14.885   8.454   3.897
   76    H    GLY  10           H        GLY  10  11.319   0.824  -1.497
   77    HA2  GLY  10           2HA      GLY  10  12.469  -1.146  -1.749
   78    HA3  GLY  10           1HA      GLY  10  13.503  -0.647  -0.418
   79    H    VAL  11           H        VAL  11  10.270  -0.347   0.467
   80    HA   VAL  11           HA       VAL  11  10.289  -2.978   1.769
   81    HB   VAL  11           HB       VAL  11   9.327  -0.370   3.003
   82   HG11  VAL  11          1HG1      VAL  11   9.140  -1.644   5.093
   83   HG12  VAL  11          2HG1      VAL  11   9.593  -3.109   4.231
   84   HG13  VAL  11          3HG1      VAL  11   8.086  -2.283   3.830
   85   HG21  VAL  11          3HG2      VAL  11  11.822  -1.946   3.640
   86   HG22  VAL  11          1HG2      VAL  11  11.235  -0.547   4.543
   87   HG23  VAL  11          2HG2      VAL  11  11.762  -0.365   2.869
   88    H    CYS  12           H        CYS  12   8.247  -3.979   1.835
   89    HA   CYS  12           HA       CYS  12   6.188  -2.559   0.365
   90    HB2  CYS  12           2HB      CYS  12   6.523  -5.522   0.840
   91    HB3  CYS  12           1HB      CYS  12   5.112  -4.806   0.072
   92    H    ARG  13           H        ARG  13   4.263  -2.132   1.191
   93    HA   ARG  13           HA       ARG  13   3.672  -3.122   3.853
   94    HB2  ARG  13           2HB      ARG  13   4.715  -1.007   4.204
   95    HB3  ARG  13           1HB      ARG  13   3.739  -0.244   2.961
   96    HG2  ARG  13           2HG      ARG  13   1.780  -0.367   4.278
   97    HG3  ARG  13           1HG      ARG  13   2.555  -1.411   5.470
   98    HD2  ARG  13           2HD      ARG  13   2.361   0.903   6.272
   99    HD3  ARG  13           1HD      ARG  13   4.042   0.410   6.115
  100    HE   ARG  13           HE       ARG  13   3.556   1.650   3.770
  101   HH11  ARG  13          1HH1      ARG  13   2.916   2.623   7.109
  102   HH12  ARG  13          2HH1      ARG  13   3.189   4.278   6.827
  103   HH21  ARG  13          1HH2      ARG  13   3.943   3.876   3.379
  104   HH22  ARG  13          2HH2      ARG  13   3.780   5.031   4.638
  105    H    CYS  14           H        CYS  14   1.741  -3.991   3.875
  106    HA   CYS  14           HA       CYS  14  -0.098  -3.428   1.748
  107    HB2  CYS  14           2HB      CYS  14  -0.169  -5.442   3.979
  108    HB3  CYS  14           1HB      CYS  14  -1.449  -5.249   2.781
  109    H    VAL  15           H        VAL  15  -1.742  -2.180   1.844
  110    HA   VAL  15           HA       VAL  15  -2.745  -1.308   4.447
  111    HB   VAL  15           HB       VAL  15  -2.478   0.386   1.927
  112   HG11  VAL  15          1HG1      VAL  15  -4.385   1.038   3.268
  113   HG12  VAL  15          2HG1      VAL  15  -3.127   2.274   3.361
  114   HG13  VAL  15          3HG1      VAL  15  -3.360   1.146   4.697
  115   HG21  VAL  15          3HG2      VAL  15  -0.862   0.556   4.473
  116   HG22  VAL  15          1HG2      VAL  15  -0.777   1.696   3.130
  117   HG23  VAL  15          2HG2      VAL  15  -0.273   0.021   2.900
  118    H    ABA  16           H        ABU  16  -4.986  -1.383   4.517
  119    HA   ABA  16           HA       ABU  16  -6.308  -2.638   2.294
  120    HB3  ABA  16           1HB      ABU  16  -7.482  -1.623   4.908
  121    HB2  ABA  16           2HB      ABU  16  -6.810  -3.235   4.699
  122    HG1  ABA  16           3HG      ABU  16  -9.189  -2.119   3.232
  123    HG3  ABA  16           1HG      ABU  16  -9.230  -3.273   4.565
  124    HG2  ABA  16           2HG      ABU  16  -8.512  -3.732   3.025
  125    H    ARG  17           H        ARG  17  -6.215  -1.169   0.731
  126    HA   ARG  17           HA       ARG  17  -6.957   1.570   1.243
  127    HB2  ARG  17           2HB      ARG  17  -5.814   0.282  -1.247
  128    HB3  ARG  17           1HB      ARG  17  -6.114   2.004  -1.046
  129    HG2  ARG  17           2HG      ARG  17  -4.577   1.967   0.929
  130    HG3  ARG  17           1HG      ARG  17  -4.182   0.308   0.505
  131    HD2  ARG  17           2HD      ARG  17  -3.778   2.679  -1.301
  132    HD3  ARG  17           1HD      ARG  17  -2.541   1.999  -0.255
  133    HE   ARG  17           HE       ARG  17  -2.869  -0.098  -1.581
  134   HH11  ARG  17          1HH1      ARG  17  -3.663   3.037  -3.028
  135   HH12  ARG  17          2HH1      ARG  17  -3.067   2.673  -4.572
  136   HH21  ARG  17          1HH2      ARG  17  -1.918  -0.587  -3.821
  137   HH22  ARG  17          2HH2      ARG  17  -2.036   0.607  -4.994
  138    H    ARG  18           H        ARG  18  -8.935   2.035   1.233
  139    HA   ARG  18           HA       ARG  18 -11.123   2.173   0.813
  140    HB2  ARG  18           2HB      ARG  18 -10.142   3.018  -1.356
  141    HB3  ARG  18           1HB      ARG  18 -10.392   1.390  -1.965
  142    HG2  ARG  18           2HG      ARG  18 -12.782   1.615  -1.733
  143    HG3  ARG  18           1HG      ARG  18 -12.587   3.204  -0.989
  144    HD2  ARG  18           2HD      ARG  18 -11.757   2.442  -3.779
  145    HD3  ARG  18           1HD      ARG  18 -13.189   3.383  -3.363
  146    HE   ARG  18           HE       ARG  18 -11.562   5.026  -2.395
  147   HH11  ARG  18          1HH1      ARG  18 -10.637   2.924  -5.104
  148   HH12  ARG  18          2HH1      ARG  18  -9.460   3.976  -5.702
  149   HH21  ARG  18          1HH2      ARG  18  -9.963   6.461  -3.217
  150   HH22  ARG  18          2HH2      ARG  18  -9.058   6.059  -4.614
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -10.641  -0.071   2.057
    2    HA2  GLY   1           2HA      GLY   1 -11.391  -2.189   2.681
    3    HA3  GLY   1           1HA      GLY   1 -12.623  -2.056   1.431
    4    H    VAL   2           H        VAL   2  -9.940  -1.302  -0.175
    5    HA   VAL   2           HA       VAL   2  -9.732  -3.973  -1.272
    6    HB   VAL   2           HB       VAL   2  -8.569  -1.360  -2.282
    7   HG11  VAL   2          1HG1      VAL   2  -7.394  -3.285  -3.146
    8   HG12  VAL   2          2HG1      VAL   2  -8.354  -2.538  -4.421
    9   HG13  VAL   2          3HG1      VAL   2  -8.912  -4.021  -3.649
   10   HG21  VAL   2          3HG2      VAL   2 -10.410  -1.324  -3.900
   11   HG22  VAL   2          1HG2      VAL   2 -11.013  -1.229  -2.245
   12   HG23  VAL   2          2HG2      VAL   2 -11.115  -2.747  -3.145
   13    H    ABA   3           H        ABU   3  -8.145  -5.210  -0.622
   14    HA   ABA   3           HA       ABU   3  -5.885  -4.116   0.806
   15    HB3  ABA   3           1HB      ABU   3  -6.456  -6.981  -0.020
   16    HB2  ABA   3           2HB      ABU   3  -6.905  -6.254   1.519
   17    HG1  ABA   3           3HG      ABU   3  -4.088  -6.629   0.527
   18    HG3  ABA   3           1HG      ABU   3  -4.909  -7.642   1.714
   19    HG2  ABA   3           2HG      ABU   3  -4.572  -5.951   2.087
   20    H    ARG   4           H        ARG   4  -4.392  -3.163  -0.331
   21    HA   ARG   4           HA       ARG   4  -3.389  -4.487  -2.747
   22    HB2  ARG   4           2HB      ARG   4  -4.666  -2.528  -3.422
   23    HB3  ARG   4           1HB      ARG   4  -3.822  -1.534  -2.244
   24    HG2  ARG   4           2HG      ARG   4  -2.981  -1.079  -4.458
   25    HG3  ARG   4           1HG      ARG   4  -1.733  -1.861  -3.493
   26    HD2  ARG   4           2HD      ARG   4  -2.324  -4.020  -4.580
   27    HD3  ARG   4           1HD      ARG   4  -3.471  -3.144  -5.592
   28    HE   ARG   4           HE       ARG   4  -0.813  -2.100  -5.618
   29   HH11  ARG   4          1HH1      ARG   4  -2.963  -4.460  -7.155
   30   HH12  ARG   4          2HH1      ARG   4  -2.142  -4.464  -8.632
   31   HH21  ARG   4          1HH2      ARG   4   0.312  -2.101  -7.632
   32   HH22  ARG   4          2HH2      ARG   4  -0.202  -3.083  -8.926
   33    H    CYS   5           H        CYS   5  -1.192  -4.783  -2.701
   34    HA   CYS   5           HA       CYS   5   0.149  -3.495  -0.496
   35    HB2  CYS   5           2HB      CYS   5   1.126  -5.808  -2.160
   36    HB3  CYS   5           1HB      CYS   5   1.892  -5.185  -0.709
   37    H    VAL   6           H        VAL   6   1.988  -2.399  -0.770
   38    HA   VAL   6           HA       VAL   6   2.857  -1.798  -3.476
   39    HB   VAL   6           HB       VAL   6   1.022  -0.206  -2.927
   40   HG11  VAL   6          1HG1      VAL   6   1.218  -0.051  -0.548
   41   HG12  VAL   6          2HG1      VAL   6   1.355   1.562  -1.253
   42   HG13  VAL   6          3HG1      VAL   6   2.796   0.720  -0.691
   43   HG21  VAL   6          3HG2      VAL   6   3.736   1.098  -3.137
   44   HG22  VAL   6          1HG2      VAL   6   2.197   1.871  -3.512
   45   HG23  VAL   6          2HG2      VAL   6   2.756   0.509  -4.481
   46    H    CYS   7           H        CYS   7   5.005  -0.916  -3.490
   47    HA   CYS   7           HA       CYS   7   6.298  -1.080  -0.885
   48    HB2  CYS   7           2HB      CYS   7   7.514  -1.723  -3.562
   49    HB3  CYS   7           1HB      CYS   7   8.329  -1.840  -2.012
   50    H    ARG   8           H        ARG   8   7.576   0.427  -0.277
   51    HA   ARG   8           HA       ARG   8   8.082   2.737  -2.022
   52    HB2  ARG   8           2HB      ARG   8   6.122   3.267  -0.649
   53    HB3  ARG   8           1HB      ARG   8   6.990   2.782   0.798
   54    HG2  ARG   8           2HG      ARG   8   8.593   4.649   0.396
   55    HG3  ARG   8           1HG      ARG   8   7.575   5.161  -0.956
   56    HD2  ARG   8           2HD      ARG   8   5.692   5.458   0.549
   57    HD3  ARG   8           1HD      ARG   8   6.679   4.909   1.905
   58    HE   ARG   8           HE       ARG   8   8.063   7.013   0.898
   59   HH11  ARG   8          1HH1      ARG   8   4.761   6.578   2.107
   60   HH12  ARG   8          2HH1      ARG   8   4.596   8.207   2.583
   61   HH21  ARG   8          1HH2      ARG   8   7.811   9.271   1.637
   62   HH22  ARG   8          2HH2      ARG   8   6.319   9.731   2.316
   63    H    ARG   9           H        ARG   9  10.234   2.873  -2.082
   64    HA   ARG   9           HA       ARG   9  12.395   3.229  -1.404
   65    HB2  ARG   9           2HB      ARG   9  11.199   4.612   0.367
   66    HB3  ARG   9           1HB      ARG   9  11.338   3.195   1.390
   67    HG2  ARG   9           2HG      ARG   9  13.820   3.380   1.184
   68    HG3  ARG   9           1HG      ARG   9  13.564   4.904   0.325
   69    HD2  ARG   9           2HD      ARG   9  13.990   5.380   2.646
   70    HD3  ARG   9           1HD      ARG   9  12.297   5.737   2.289
   71    HE   ARG   9           HE       ARG   9  13.249   3.291   3.605
   72   HH11  ARG   9          1HH1      ARG   9  10.673   5.719   3.194
   73   HH12  ARG   9          2HH1      ARG   9   9.765   5.184   4.522
   74   HH21  ARG   9          1HH2      ARG   9  11.990   2.559   5.435
   75   HH22  ARG   9          2HH2      ARG   9  10.526   3.325   5.808
   76    H    GLY  10           H        GLY  10  11.047   0.514  -1.423
   77    HA2  GLY  10           2HA      GLY  10  11.993  -1.595  -1.354
   78    HA3  GLY  10           1HA      GLY  10  13.263  -0.944  -0.321
   79    H    VAL  11           H        VAL  11  10.274   0.051   0.769
   80    HA   VAL  11           HA       VAL  11  10.098  -2.146   2.698
   81    HB   VAL  11           HB       VAL  11   9.037   0.693   2.932
   82   HG11  VAL  11          1HG1      VAL  11   7.715  -0.894   4.211
   83   HG12  VAL  11          2HG1      VAL  11   8.646   0.141   5.295
   84   HG13  VAL  11          3HG1      VAL  11   9.172  -1.513   4.989
   85   HG21  VAL  11          3HG2      VAL  11  11.438  -0.530   4.283
   86   HG22  VAL  11          1HG2      VAL  11  10.794   1.082   4.575
   87   HG23  VAL  11          2HG2      VAL  11  11.476   0.678   2.997
   88    H    CYS  12           H        CYS  12   8.300  -3.357   2.486
   89    HA   CYS  12           HA       CYS  12   6.348  -2.337   0.614
   90    HB2  CYS  12           2HB      CYS  12   7.003  -5.197   1.321
   91    HB3  CYS  12           1HB      CYS  12   5.719  -4.707   0.214
   92    H    ARG  13           H        ARG  13   4.351  -2.056   1.165
   93    HA   ARG  13           HA       ARG  13   3.503  -2.883   3.841
   94    HB2  ARG  13           2HB      ARG  13   4.128  -0.606   4.040
   95    HB3  ARG  13           1HB      ARG  13   3.359  -0.180   2.529
   96    HG2  ARG  13           2HG      ARG  13   2.072   0.698   4.418
   97    HG3  ARG  13           1HG      ARG  13   1.135  -0.507   3.546
   98    HD2  ARG  13           2HD      ARG  13   1.648  -2.162   5.264
   99    HD3  ARG  13           1HD      ARG  13   2.644  -0.985   6.122
  100    HE   ARG  13           HE       ARG  13   0.329   0.313   6.041
  101   HH11  ARG  13          1HH1      ARG  13   0.808  -3.114   6.792
  102   HH12  ARG  13          2HH1      ARG  13  -0.426  -3.174   7.945
  103   HH21  ARG  13          1HH2      ARG  13  -1.409   0.209   7.597
  104   HH22  ARG  13          2HH2      ARG  13  -1.705  -1.244   8.428
  105    H    CYS  14           H        CYS  14   1.683  -3.993   3.737
  106    HA   CYS  14           HA       CYS  14   0.097  -3.724   1.380
  107    HB2  CYS  14           2HB      CYS  14  -0.123  -5.653   3.685
  108    HB3  CYS  14           1HB      CYS  14  -1.242  -5.574   2.315
  109    H    VAL  15           H        VAL  15  -1.575  -2.531   1.256
  110    HA   VAL  15           HA       VAL  15  -2.598  -1.490   3.778
  111    HB   VAL  15           HB       VAL  15  -1.217   0.240   2.832
  112   HG11  VAL  15          1HG1      VAL  15  -1.619   1.250   0.636
  113   HG12  VAL  15          2HG1      VAL  15  -2.837   0.023   0.298
  114   HG13  VAL  15          3HG1      VAL  15  -1.148  -0.444   0.506
  115   HG21  VAL  15          3HG2      VAL  15  -4.126   0.857   2.400
  116   HG22  VAL  15          1HG2      VAL  15  -2.845   2.064   2.551
  117   HG23  VAL  15          2HG2      VAL  15  -3.216   1.004   3.907
  118    H    ABA  16           H        ABU  16  -4.630  -1.853   4.100
  119    HA   ABA  16           HA       ABU  16  -6.313  -2.397   1.821
  120    HB3  ABA  16           1HB      ABU  16  -6.652  -4.016   3.583
  121    HB2  ABA  16           2HB      ABU  16  -8.081  -3.003   3.533
  122    HG1  ABA  16           3HG      ABU  16  -7.504  -3.466   5.804
  123    HG3  ABA  16           1HG      ABU  16  -7.267  -1.752   5.477
  124    HG2  ABA  16           2HG      ABU  16  -5.878  -2.845   5.563
  125    H    ARG  17           H        ARG  17  -6.816  -0.713   0.832
  126    HA   ARG  17           HA       ARG  17  -7.810   1.607   2.327
  127    HB2  ARG  17           2HB      ARG  17  -6.889   3.025   0.519
  128    HB3  ARG  17           1HB      ARG  17  -5.631   2.114   1.334
  129    HG2  ARG  17           2HG      ARG  17  -5.795   0.459  -0.598
  130    HG3  ARG  17           1HG      ARG  17  -6.770   1.679  -1.416
  131    HD2  ARG  17           2HD      ARG  17  -3.925   1.964  -0.446
  132    HD3  ARG  17           1HD      ARG  17  -4.465   1.894  -2.118
  133    HE   ARG  17           HE       ARG  17  -5.765   4.028  -0.965
  134   HH11  ARG  17          1HH1      ARG  17  -2.439   3.128  -1.802
  135   HH12  ARG  17          2HH1      ARG  17  -1.818   4.696  -1.789
  136   HH21  ARG  17          1HH2      ARG  17  -4.937   6.228  -0.942
  137   HH22  ARG  17          2HH2      ARG  17  -3.306   6.530  -1.283
  138    H    ARG  18           H        ARG  18  -9.799   2.242   1.819
  139    HA   ARG  18           HA       ARG  18 -11.890   2.242   0.918
  140    HB2  ARG  18           2HB      ARG  18 -10.568   3.025  -1.109
  141    HB3  ARG  18           1HB      ARG  18 -10.530   1.339  -1.580
  142    HG2  ARG  18           2HG      ARG  18 -12.987   1.370  -1.810
  143    HG3  ARG  18           1HG      ARG  18 -12.981   3.089  -1.403
  144    HD2  ARG  18           2HD      ARG  18 -11.627   1.780  -3.763
  145    HD3  ARG  18           1HD      ARG  18 -13.040   2.835  -3.807
  146    HE   ARG  18           HE       ARG  18 -11.450   4.529  -2.778
  147   HH11  ARG  18          1HH1      ARG  18 -10.468   2.105  -5.220
  148   HH12  ARG  18          2HH1      ARG  18  -9.165   3.012  -5.800
  149   HH21  ARG  18          1HH2      ARG  18  -9.587   5.772  -3.621
  150   HH22  ARG  18          2HH2      ARG  18  -8.653   5.130  -4.886
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -10.658  -0.221   1.606
    2    HA2  GLY   1           2HA      GLY   1 -11.730  -2.221   2.146
    3    HA3  GLY   1           1HA      GLY   1 -12.749  -2.002   0.731
    4    H    VAL   2           H        VAL   2  -9.663  -1.559  -0.318
    5    HA   VAL   2           HA       VAL   2  -9.422  -4.380  -1.089
    6    HB   VAL   2           HB       VAL   2  -8.381  -1.914  -2.527
    7   HG11  VAL   2          1HG1      VAL   2  -6.878  -3.820  -2.827
    8   HG12  VAL   2          2HG1      VAL   2  -7.728  -3.443  -4.328
    9   HG13  VAL   2          3HG1      VAL   2  -8.238  -4.816  -3.344
   10   HG21  VAL   2          3HG2      VAL   2 -10.790  -2.172  -2.734
   11   HG22  VAL   2          1HG2      VAL   2 -10.577  -3.840  -3.265
   12   HG23  VAL   2          2HG2      VAL   2  -9.994  -2.511  -4.270
   13    H    ABA   3           H        ABU   3  -7.835  -5.430  -0.109
   14    HA   ABA   3           HA       ABU   3  -5.705  -4.045   1.260
   15    HB3  ABA   3           1HB      ABU   3  -6.103  -7.016   0.801
   16    HB2  ABA   3           2HB      ABU   3  -6.752  -6.132   2.177
   17    HG1  ABA   3           3HG      ABU   3  -3.831  -6.488   1.536
   18    HG3  ABA   3           1HG      ABU   3  -4.736  -7.343   2.785
   19    HG2  ABA   3           2HG      ABU   3  -4.486  -5.603   2.916
   20    H    ARG   4           H        ARG   4  -4.537  -3.019  -0.241
   21    HA   ARG   4           HA       ARG   4  -3.288  -4.660  -2.323
   22    HB2  ARG   4           2HB      ARG   4  -4.718  -2.850  -3.199
   23    HB3  ARG   4           1HB      ARG   4  -3.807  -1.676  -2.263
   24    HG2  ARG   4           2HG      ARG   4  -1.804  -2.190  -3.569
   25    HG3  ARG   4           1HG      ARG   4  -2.718  -3.371  -4.500
   26    HD2  ARG   4           2HD      ARG   4  -4.192  -1.610  -5.310
   27    HD3  ARG   4           1HD      ARG   4  -3.307  -0.417  -4.352
   28    HE   ARG   4           HE       ARG   4  -1.405  -1.619  -5.883
   29   HH11  ARG   4          1HH1      ARG   4  -4.402   0.130  -6.633
   30   HH12  ARG   4          2HH1      ARG   4  -3.851   0.747  -8.096
   31   HH21  ARG   4          1HH2      ARG   4  -0.668  -0.868  -7.905
   32   HH22  ARG   4          2HH2      ARG   4  -1.636   0.151  -8.880
   33    H    CYS   5           H        CYS   5  -1.044  -4.524  -2.489
   34    HA   CYS   5           HA       CYS   5   0.122  -3.212  -0.198
   35    HB2  CYS   5           2HB      CYS   5   1.432  -5.262  -1.986
   36    HB3  CYS   5           1HB      CYS   5   2.066  -4.644  -0.469
   37    H    VAL   6           H        VAL   6   1.785  -1.861  -0.402
   38    HA   VAL   6           HA       VAL   6   2.400  -0.889  -3.096
   39    HB   VAL   6           HB       VAL   6   0.748   0.634  -2.112
   40   HG11  VAL   6          1HG1      VAL   6   1.168   1.888  -0.058
   41   HG12  VAL   6          2HG1      VAL   6   2.658   0.972   0.192
   42   HG13  VAL   6          3HG1      VAL   6   1.101   0.151   0.239
   43   HG21  VAL   6          3HG2      VAL   6   3.501   1.868  -2.070
   44   HG22  VAL   6          1HG2      VAL   6   1.986   2.749  -2.237
   45   HG23  VAL   6          2HG2      VAL   6   2.500   1.632  -3.504
   46    H    CYS   7           H        CYS   7   4.541  -0.413  -3.403
   47    HA   CYS   7           HA       CYS   7   6.232  -0.914  -1.081
   48    HB2  CYS   7           2HB      CYS   7   6.982  -1.099  -3.991
   49    HB3  CYS   7           1HB      CYS   7   8.004  -1.518  -2.625
   50    H    ARG   8           H        ARG   8   7.657   0.387  -0.417
   51    HA   ARG   8           HA       ARG   8   8.177   2.898  -1.777
   52    HB2  ARG   8           2HB      ARG   8   6.121   3.238  -0.433
   53    HB3  ARG   8           1HB      ARG   8   6.971   2.690   0.999
   54    HG2  ARG   8           2HG      ARG   8   6.697   5.133   0.887
   55    HG3  ARG   8           1HG      ARG   8   8.388   4.636   0.942
   56    HD2  ARG   8           2HD      ARG   8   7.937   6.451  -0.682
   57    HD3  ARG   8           1HD      ARG   8   8.642   5.008  -1.398
   58    HE   ARG   8           HE       ARG   8   5.751   5.175  -1.525
   59   HH11  ARG   8          1HH1      ARG   8   8.816   5.862  -3.155
   60   HH12  ARG   8          2HH1      ARG   8   8.158   5.905  -4.714
   61   HH21  ARG   8          1HH2      ARG   8   4.816   5.227  -3.651
   62   HH22  ARG   8          2HH2      ARG   8   5.789   5.556  -5.013
   63    H    ARG   9           H        ARG   9  10.313   3.073  -1.701
   64    HA   ARG   9           HA       ARG   9  12.478   2.983  -1.120
   65    HB2  ARG   9           2HB      ARG   9  11.559   4.347   0.849
   66    HB3  ARG   9           1HB      ARG   9  11.607   2.829   1.740
   67    HG2  ARG   9           2HG      ARG   9  14.025   2.690   1.380
   68    HG3  ARG   9           1HG      ARG   9  13.980   4.218   0.510
   69    HD2  ARG   9           2HD      ARG   9  13.100   5.288   2.581
   70    HD3  ARG   9           1HD      ARG   9  13.338   3.758   3.422
   71    HE   ARG   9           HE       ARG   9  15.715   4.378   2.172
   72   HH11  ARG   9          1HH1      ARG   9  13.794   5.618   4.899
   73   HH12  ARG   9          2HH1      ARG   9  15.085   6.420   5.626
   74   HH21  ARG   9          1HH2      ARG   9  17.509   5.544   3.182
   75   HH22  ARG   9          2HH2      ARG   9  17.230   6.413   4.611
   76    H    GLY  10           H        GLY  10  11.177   0.589  -1.720
   77    HA2  GLY  10           2HA      GLY  10  11.833  -1.602  -1.911
   78    HA3  GLY  10           1HA      GLY  10  13.123  -1.261  -0.778
   79    H    VAL  11           H        VAL  11  10.335  -0.230   0.646
   80    HA   VAL  11           HA       VAL  11  10.007  -2.760   2.083
   81    HB   VAL  11           HB       VAL  11   9.182   0.059   2.872
   82   HG11  VAL  11          1HG1      VAL  11   7.705  -1.616   3.834
   83   HG12  VAL  11          2HG1      VAL  11   8.717  -0.889   5.084
   84   HG13  VAL  11          3HG1      VAL  11   9.096  -2.496   4.464
   85   HG21  VAL  11          3HG2      VAL  11  11.609  -0.191   2.915
   86   HG22  VAL  11          1HG2      VAL  11  11.458  -1.633   3.916
   87   HG23  VAL  11          2HG2      VAL  11  10.971  -0.066   4.555
   88    H    CYS  12           H        CYS  12   8.050  -3.777   1.852
   89    HA   CYS  12           HA       CYS  12   6.130  -2.270   0.299
   90    HB2  CYS  12           2HB      CYS  12   6.523  -5.271   0.371
   91    HB3  CYS  12           1HB      CYS  12   5.271  -4.433  -0.542
   92    H    ARG  13           H        ARG  13   4.441  -1.722   1.184
   93    HA   ARG  13           HA       ARG  13   3.788  -2.752   3.832
   94    HB2  ARG  13           2HB      ARG  13   4.478  -0.448   3.648
   95    HB3  ARG  13           1HB      ARG  13   3.255  -0.132   2.441
   96    HG2  ARG  13           2HG      ARG  13   2.493   0.763   4.551
   97    HG3  ARG  13           1HG      ARG  13   1.501  -0.641   4.153
   98    HD2  ARG  13           2HD      ARG  13   2.149  -0.641   6.508
   99    HD3  ARG  13           1HD      ARG  13   2.840  -2.014   5.650
  100    HE   ARG  13           HE       ARG  13   4.526   0.293   5.774
  101   HH11  ARG  13          1HH1      ARG  13   3.733  -2.835   7.292
  102   HH12  ARG  13          2HH1      ARG  13   5.099  -2.833   8.310
  103   HH21  ARG  13          1HH2      ARG  13   6.451   0.225   7.126
  104   HH22  ARG  13          2HH2      ARG  13   6.680  -1.077   8.193
  105    H    CYS  14           H        CYS  14   1.873  -3.819   3.979
  106    HA   CYS  14           HA       CYS  14   0.156  -3.590   1.681
  107    HB2  CYS  14           2HB      CYS  14   0.169  -5.703   3.831
  108    HB3  CYS  14           1HB      CYS  14  -0.960  -5.613   2.467
  109    H    VAL  15           H        VAL  15  -1.594  -2.515   1.702
  110    HA   VAL  15           HA       VAL  15  -2.749  -1.832   4.287
  111    HB   VAL  15           HB       VAL  15  -1.230  -0.040   3.800
  112   HG11  VAL  15          1HG1      VAL  15  -1.422   1.385   1.807
  113   HG12  VAL  15          2HG1      VAL  15  -2.600   0.249   1.141
  114   HG13  VAL  15          3HG1      VAL  15  -0.944  -0.274   1.444
  115   HG21  VAL  15          3HG2      VAL  15  -3.339   0.621   4.840
  116   HG22  VAL  15          1HG2      VAL  15  -4.060   0.851   3.250
  117   HG23  VAL  15          2HG2      VAL  15  -2.746   1.901   3.784
  118    H    ABA  16           H        ABU  16  -4.879  -1.811   4.367
  119    HA   ABA  16           HA       ABU  16  -6.384  -2.441   1.982
  120    HB3  ABA  16           1HB      ABU  16  -7.354  -2.017   4.822
  121    HB2  ABA  16           2HB      ABU  16  -6.850  -3.574   4.177
  122    HG1  ABA  16           3HG      ABU  16  -9.275  -3.362   4.201
  123    HG3  ABA  16           1HG      ABU  16  -8.668  -3.493   2.550
  124    HG2  ABA  16           2HG      ABU  16  -9.165  -1.927   3.182
  125    H    ARG  17           H        ARG  17  -6.813  -0.875   0.689
  126    HA   ARG  17           HA       ARG  17  -7.616   1.726   1.806
  127    HB2  ARG  17           2HB      ARG  17  -6.352   1.222  -0.891
  128    HB3  ARG  17           1HB      ARG  17  -6.728   2.781  -0.179
  129    HG2  ARG  17           2HG      ARG  17  -5.071   2.291   1.605
  130    HG3  ARG  17           1HG      ARG  17  -4.640   0.829   0.723
  131    HD2  ARG  17           2HD      ARG  17  -3.076   2.566   0.151
  132    HD3  ARG  17           1HD      ARG  17  -4.095   2.231  -1.248
  133    HE   ARG  17           HE       ARG  17  -5.265   4.285   0.220
  134   HH11  ARG  17          1HH1      ARG  17  -2.472   3.743  -1.872
  135   HH12  ARG  17          2HH1      ARG  17  -2.230   5.380  -2.226
  136   HH21  ARG  17          1HH2      ARG  17  -4.990   6.539  -0.312
  137   HH22  ARG  17          2HH2      ARG  17  -3.705   7.011  -1.339
  138    H    ARG  18           H        ARG  18  -9.641   2.226   1.373
  139    HA   ARG  18           HA       ARG  18 -11.718   2.199   0.584
  140    HB2  ARG  18           2HB      ARG  18 -10.632   3.279  -1.329
  141    HB3  ARG  18           1HB      ARG  18 -10.251   1.697  -1.972
  142    HG2  ARG  18           2HG      ARG  18 -12.511   1.327  -2.610
  143    HG3  ARG  18           1HG      ARG  18 -13.065   2.706  -1.665
  144    HD2  ARG  18           2HD      ARG  18 -11.137   3.016  -3.950
  145    HD3  ARG  18           1HD      ARG  18 -12.882   3.036  -4.191
  146    HE   ARG  18           HE       ARG  18 -13.005   4.952  -2.757
  147   HH11  ARG  18          1HH1      ARG  18  -9.685   4.206  -3.813
  148   HH12  ARG  18          2HH1      ARG  18  -9.157   5.812  -3.771
  149   HH21  ARG  18          1HH2      ARG  18 -12.256   7.171  -2.723
  150   HH22  ARG  18          2HH2      ARG  18 -10.661   7.565  -3.110
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -10.551  -0.604   2.547
    2    HA2  GLY   1           2HA      GLY   1 -11.290  -2.788   2.784
    3    HA3  GLY   1           1HA      GLY   1 -12.525  -2.453   1.575
    4    H    VAL   2           H        VAL   2 -10.168  -1.323  -0.120
    5    HA   VAL   2           HA       VAL   2  -9.738  -3.823  -1.503
    6    HB   VAL   2           HB       VAL   2  -8.890  -1.013  -2.276
    7   HG11  VAL   2          1HG1      VAL   2  -9.106  -3.510  -3.950
    8   HG12  VAL   2          2HG1      VAL   2  -7.613  -2.753  -3.411
    9   HG13  VAL   2          3HG1      VAL   2  -8.669  -1.907  -4.545
   10   HG21  VAL   2          3HG2      VAL   2 -11.320  -1.149  -2.078
   11   HG22  VAL   2          1HG2      VAL   2 -11.338  -2.561  -3.134
   12   HG23  VAL   2          2HG2      VAL   2 -10.843  -0.991  -3.770
   13    H    ABA   3           H        ABU   3  -8.074  -4.994  -0.899
   14    HA   ABA   3           HA       ABU   3  -5.820  -3.796   0.447
   15    HB3  ABA   3           1HB      ABU   3  -6.317  -6.682  -0.306
   16    HB2  ABA   3           2HB      ABU   3  -6.734  -5.944   1.236
   17    HG1  ABA   3           3HG      ABU   3  -4.692  -7.237   1.419
   18    HG3  ABA   3           1HG      ABU   3  -4.371  -5.523   1.682
   19    HG2  ABA   3           2HG      ABU   3  -3.950  -6.273   0.142
   20    H    ARG   4           H        ARG   4  -4.404  -2.810  -0.696
   21    HA   ARG   4           HA       ARG   4  -3.325  -4.147  -3.076
   22    HB2  ARG   4           2HB      ARG   4  -3.538  -1.164  -2.540
   23    HB3  ARG   4           1HB      ARG   4  -2.668  -1.874  -3.888
   24    HG2  ARG   4           2HG      ARG   4  -4.772  -2.792  -4.747
   25    HG3  ARG   4           1HG      ARG   4  -5.630  -2.048  -3.395
   26    HD2  ARG   4           2HD      ARG   4  -5.836  -0.679  -5.403
   27    HD3  ARG   4           1HD      ARG   4  -4.915   0.167  -4.162
   28    HE   ARG   4           HE       ARG   4  -3.048  -1.111  -5.726
   29   HH11  ARG   4          1HH1      ARG   4  -5.529   1.350  -6.322
   30   HH12  ARG   4          2HH1      ARG   4  -4.691   2.089  -7.607
   31   HH21  ARG   4          1HH2      ARG   4  -1.915  -0.109  -7.458
   32   HH22  ARG   4          2HH2      ARG   4  -2.588   1.222  -8.292
   33    H    CYS   5           H        CYS   5  -1.155  -4.514  -2.947
   34    HA   CYS   5           HA       CYS   5   0.097  -3.363  -0.597
   35    HB2  CYS   5           2HB      CYS   5   1.124  -5.651  -2.281
   36    HB3  CYS   5           1HB      CYS   5   1.855  -5.061  -0.810
   37    H    VAL   6           H        VAL   6   1.950  -2.272  -0.738
   38    HA   VAL   6           HA       VAL   6   2.990  -1.724  -3.403
   39    HB   VAL   6           HB       VAL   6   1.332   0.022  -2.945
   40   HG11  VAL   6          1HG1      VAL   6   2.997   0.753  -0.545
   41   HG12  VAL   6          2HG1      VAL   6   1.361   0.097  -0.537
   42   HG13  VAL   6          3HG1      VAL   6   1.662   1.709  -1.190
   43   HG21  VAL   6          3HG2      VAL   6   2.756   2.007  -3.345
   44   HG22  VAL   6          1HG2      VAL   6   3.231   0.623  -4.332
   45   HG23  VAL   6          2HG2      VAL   6   4.173   1.051  -2.907
   46    H    CYS   7           H        CYS   7   5.133  -1.645  -3.474
   47    HA   CYS   7           HA       CYS   7   6.572  -1.392  -0.933
   48    HB2  CYS   7           2HB      CYS   7   7.526  -2.555  -3.537
   49    HB3  CYS   7           1HB      CYS   7   8.470  -2.428  -2.067
   50    H    ARG   8           H        ARG   8   7.888   0.167  -0.664
   51    HA   ARG   8           HA       ARG   8   8.748   1.800  -2.899
   52    HB2  ARG   8           2HB      ARG   8   6.468   2.654  -2.245
   53    HB3  ARG   8           1HB      ARG   8   7.140   3.063  -0.676
   54    HG2  ARG   8           2HG      ARG   8   8.682   4.612  -1.701
   55    HG3  ARG   8           1HG      ARG   8   8.117   4.135  -3.301
   56    HD2  ARG   8           2HD      ARG   8   5.846   4.925  -2.661
   57    HD3  ARG   8           1HD      ARG   8   6.540   5.544  -1.163
   58    HE   ARG   8           HE       ARG   8   8.106   6.646  -3.028
   59   HH11  ARG   8          1HH1      ARG   8   4.588   6.578  -2.617
   60   HH12  ARG   8          2HH1      ARG   8   4.307   8.015  -3.466
   61   HH21  ARG   8          1HH2      ARG   8   7.714   8.691  -4.180
   62   HH22  ARG   8          2HH2      ARG   8   6.123   9.248  -4.359
   63    H    ARG   9           H        ARG   9  10.718   2.518  -2.530
   64    HA   ARG   9           HA       ARG   9  12.672   2.995  -1.572
   65    HB2  ARG   9           2HB      ARG   9  11.209   4.747  -0.459
   66    HB3  ARG   9           1HB      ARG   9  11.113   3.643   0.902
   67    HG2  ARG   9           2HG      ARG   9  12.737   5.373   1.384
   68    HG3  ARG   9           1HG      ARG   9  13.565   3.832   1.195
   69    HD2  ARG   9           2HD      ARG   9  13.327   5.949  -0.942
   70    HD3  ARG   9           1HD      ARG   9  14.736   5.744   0.095
   71    HE   ARG   9           HE       ARG   9  14.793   3.418  -0.924
   72   HH11  ARG   9          1HH1      ARG   9  13.800   6.339  -2.677
   73   HH12  ARG   9          2HH1      ARG   9  14.135   5.723  -4.217
   74   HH21  ARG   9          1HH2      ARG   9  15.262   2.546  -3.067
   75   HH22  ARG   9          2HH2      ARG   9  14.982   3.500  -4.449
   76    H    GLY  10           H        GLY  10  11.560   0.285  -1.324
   77    HA2  GLY  10           2HA      GLY  10  12.691  -1.626  -0.675
   78    HA3  GLY  10           1HA      GLY  10  13.553  -0.657   0.510
   79    H    VAL  11           H        VAL  11  10.367   0.144   0.951
   80    HA   VAL  11           HA       VAL  11  10.039  -2.028   2.874
   81    HB   VAL  11           HB       VAL  11  10.494   0.146   4.022
   82   HG11  VAL  11          1HG1      VAL  11   7.959   1.132   2.757
   83   HG12  VAL  11          2HG1      VAL  11   9.594   1.694   2.416
   84   HG13  VAL  11          3HG1      VAL  11   8.885   1.964   4.008
   85   HG21  VAL  11          3HG2      VAL  11   7.694  -0.887   4.421
   86   HG22  VAL  11          1HG2      VAL  11   8.562   0.155   5.546
   87   HG23  VAL  11          2HG2      VAL  11   9.166  -1.462   5.210
   88    H    CYS  12           H        CYS  12   7.935  -2.888   3.086
   89    HA   CYS  12           HA       CYS  12   6.254  -2.125   0.852
   90    HB2  CYS  12           2HB      CYS  12   6.734  -4.901   1.939
   91    HB3  CYS  12           1HB      CYS  12   5.584  -4.504   0.669
   92    H    ARG  13           H        ARG  13   4.166  -1.816   1.268
   93    HA   ARG  13           HA       ARG  13   3.149  -2.616   3.879
   94    HB2  ARG  13           2HB      ARG  13   3.591  -0.286   4.111
   95    HB3  ARG  13           1HB      ARG  13   2.879   0.077   2.552
   96    HG2  ARG  13           2HG      ARG  13   0.663  -0.340   3.373
   97    HG3  ARG  13           1HG      ARG  13   1.284  -1.001   4.885
   98    HD2  ARG  13           2HD      ARG  13   1.656   1.841   3.954
   99    HD3  ARG  13           1HD      ARG  13   0.418   1.310   5.097
  100    HE   ARG  13           HE       ARG  13   2.818   0.402   6.068
  101   HH11  ARG  13          1HH1      ARG  13   1.390   3.606   5.414
  102   HH12  ARG  13          2HH1      ARG  13   2.272   4.374   6.648
  103   HH21  ARG  13          1HH2      ARG  13   3.986   1.493   7.773
  104   HH22  ARG  13          2HH2      ARG  13   3.754   3.149   8.027
  105    H    CYS  14           H        CYS  14   1.347  -3.704   3.766
  106    HA   CYS  14           HA       CYS  14  -0.097  -3.603   1.279
  107    HB2  CYS  14           2HB      CYS  14  -0.309  -5.595   3.535
  108    HB3  CYS  14           1HB      CYS  14  -1.374  -5.505   2.121
  109    H    VAL  15           H        VAL  15  -1.686  -2.393   1.128
  110    HA   VAL  15           HA       VAL  15  -2.818  -1.426   3.643
  111    HB   VAL  15           HB       VAL  15  -1.485   0.295   2.523
  112   HG11  VAL  15          1HG1      VAL  15  -3.408   0.099   0.224
  113   HG12  VAL  15          2HG1      VAL  15  -1.698  -0.326   0.211
  114   HG13  VAL  15          3HG1      VAL  15  -2.187   1.353   0.435
  115   HG21  VAL  15          3HG2      VAL  15  -3.309   1.049   3.897
  116   HG22  VAL  15          1HG2      VAL  15  -4.430   0.901   2.540
  117   HG23  VAL  15          2HG2      VAL  15  -3.146   2.111   2.498
  118    H    ABA  16           H        ABU  16  -4.814  -1.836   4.036
  119    HA   ABA  16           HA       ABU  16  -6.606  -2.716   1.920
  120    HB3  ABA  16           1HB      ABU  16  -8.186  -3.159   3.789
  121    HB2  ABA  16           2HB      ABU  16  -7.026  -2.483   4.926
  122    HG1  ABA  16           3HG      ABU  16  -5.455  -4.272   4.392
  123    HG3  ABA  16           1HG      ABU  16  -6.629  -4.963   3.271
  124    HG2  ABA  16           2HG      ABU  16  -6.989  -4.898   4.996
  125    H    ARG  17           H        ARG  17  -6.758  -0.818   0.822
  126    HA   ARG  17           HA       ARG  17  -7.567   1.547   2.296
  127    HB2  ARG  17           2HB      ARG  17  -5.651   1.356   0.484
  128    HB3  ARG  17           1HB      ARG  17  -6.998   1.510  -0.634
  129    HG2  ARG  17           2HG      ARG  17  -6.000   3.665  -0.233
  130    HG3  ARG  17           1HG      ARG  17  -7.631   3.626   0.448
  131    HD2  ARG  17           2HD      ARG  17  -6.741   3.242   2.673
  132    HD3  ARG  17           1HD      ARG  17  -5.109   3.105   2.022
  133    HE   ARG  17           HE       ARG  17  -6.022   5.557   1.286
  134   HH11  ARG  17          1HH1      ARG  17  -5.606   3.842   4.378
  135   HH12  ARG  17          2HH1      ARG  17  -5.203   5.231   5.253
  136   HH21  ARG  17          1HH2      ARG  17  -5.443   7.488   2.514
  137   HH22  ARG  17          2HH2      ARG  17  -5.070   7.360   4.161
  138    H    ARG  18           H        ARG  18  -9.666   1.777   2.513
  139    HA   ARG  18           HA       ARG  18 -11.878   1.815   2.116
  140    HB2  ARG  18           2HB      ARG  18 -11.055   3.201   0.177
  141    HB3  ARG  18           1HB      ARG  18 -11.065   1.714  -0.751
  142    HG2  ARG  18           2HG      ARG  18 -13.480   1.573  -0.547
  143    HG3  ARG  18           1HG      ARG  18 -13.482   3.035   0.451
  144    HD2  ARG  18           2HD      ARG  18 -12.513   2.853  -2.397
  145    HD3  ARG  18           1HD      ARG  18 -14.057   3.527  -1.876
  146    HE   ARG  18           HE       ARG  18 -12.694   5.130  -0.563
  147   HH11  ARG  18          1HH1      ARG  18 -11.406   3.714  -3.524
  148   HH12  ARG  18          2HH1      ARG  18 -10.424   5.034  -3.924
  149   HH21  ARG  18          1HH2      ARG  18 -11.366   6.974  -1.095
  150   HH22  ARG  18          2HH2      ARG  18 -10.418   6.965  -2.500
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -10.631  -0.073   1.825
    2    HA2  GLY   1           2HA      GLY   1 -11.675  -1.973   2.530
    3    HA3  GLY   1           1HA      GLY   1 -12.611  -1.976   1.047
    4    H    VAL   2           H        VAL   2  -9.645  -1.702  -0.186
    5    HA   VAL   2           HA       VAL   2  -9.417  -4.628  -0.318
    6    HB   VAL   2           HB       VAL   2  -8.563  -2.588  -2.392
    7   HG11  VAL   2          1HG1      VAL   2  -8.143  -4.516  -3.850
    8   HG12  VAL   2          2HG1      VAL   2  -8.556  -5.608  -2.531
    9   HG13  VAL   2          3HG1      VAL   2  -7.129  -4.579  -2.407
   10   HG21  VAL   2          3HG2      VAL   2 -10.871  -4.533  -2.380
   11   HG22  VAL   2          1HG2      VAL   2 -10.390  -3.528  -3.748
   12   HG23  VAL   2          2HG2      VAL   2 -10.982  -2.780  -2.263
   13    H    ABA   3           H        ABU   3  -7.659  -5.549   0.457
   14    HA   ABA   3           HA       ABU   3  -5.479  -3.904   1.374
   15    HB3  ABA   3           1HB      ABU   3  -5.785  -6.925   1.438
   16    HB2  ABA   3           2HB      ABU   3  -6.342  -5.853   2.714
   17    HG1  ABA   3           3HG      ABU   3  -4.223  -6.887   3.299
   18    HG3  ABA   3           1HG      ABU   3  -4.042  -5.137   3.132
   19    HG2  ABA   3           2HG      ABU   3  -3.481  -6.212   1.851
   20    H    ARG   4           H        ARG   4  -4.944  -3.120  -0.635
   21    HA   ARG   4           HA       ARG   4  -3.409  -4.992  -2.254
   22    HB2  ARG   4           2HB      ARG   4  -3.708  -3.438  -4.170
   23    HB3  ARG   4           1HB      ARG   4  -5.225  -4.074  -3.581
   24    HG2  ARG   4           2HG      ARG   4  -5.467  -1.895  -2.300
   25    HG3  ARG   4           1HG      ARG   4  -4.116  -1.305  -3.270
   26    HD2  ARG   4           2HD      ARG   4  -6.772  -2.318  -4.292
   27    HD3  ARG   4           1HD      ARG   4  -6.201  -0.655  -4.308
   28    HE   ARG   4           HE       ARG   4  -4.388  -2.265  -5.713
   29   HH11  ARG   4          1HH1      ARG   4  -7.696  -1.057  -6.061
   30   HH12  ARG   4          2HH1      ARG   4  -7.652  -1.000  -7.753
   31   HH21  ARG   4          1HH2      ARG   4  -4.328  -2.217  -8.040
   32   HH22  ARG   4          2HH2      ARG   4  -5.696  -1.706  -8.910
   33    H    CYS   5           H        CYS   5  -1.338  -4.521  -2.702
   34    HA   CYS   5           HA       CYS   5  -0.238  -2.868  -0.586
   35    HB2  CYS   5           2HB      CYS   5   1.143  -4.966  -2.213
   36    HB3  CYS   5           1HB      CYS   5   1.617  -4.324  -0.636
   37    H    VAL   6           H        VAL   6   1.716  -1.758  -0.869
   38    HA   VAL   6           HA       VAL   6   2.503  -1.087  -3.583
   39    HB   VAL   6           HB       VAL   6   0.883   0.646  -2.863
   40   HG11  VAL   6          1HG1      VAL   6   2.804   1.244  -0.627
   41   HG12  VAL   6          2HG1      VAL   6   1.167   0.602  -0.479
   42   HG13  VAL   6          3HG1      VAL   6   1.423   2.240  -1.086
   43   HG21  VAL   6          3HG2      VAL   6   3.713   1.661  -3.076
   44   HG22  VAL   6          1HG2      VAL   6   2.267   2.640  -3.318
   45   HG23  VAL   6          2HG2      VAL   6   2.624   1.306  -4.416
   46    H    CYS   7           H        CYS   7   4.749  -0.750  -3.740
   47    HA   CYS   7           HA       CYS   7   6.190  -1.095  -1.222
   48    HB2  CYS   7           2HB      CYS   7   7.213  -1.591  -4.015
   49    HB3  CYS   7           1HB      CYS   7   8.093  -1.886  -2.530
   50    H    ARG   8           H        ARG   8   7.661   0.236  -0.555
   51    HA   ARG   8           HA       ARG   8   8.588   2.414  -2.162
   52    HB2  ARG   8           2HB      ARG   8   7.665   4.183  -0.701
   53    HB3  ARG   8           1HB      ARG   8   6.407   3.293  -1.536
   54    HG2  ARG   8           2HG      ARG   8   5.978   2.013   0.523
   55    HG3  ARG   8           1HG      ARG   8   7.213   2.955   1.356
   56    HD2  ARG   8           2HD      ARG   8   4.644   3.977   0.148
   57    HD3  ARG   8           1HD      ARG   8   5.054   3.874   1.861
   58    HE   ARG   8           HE       ARG   8   7.007   5.390   0.657
   59   HH11  ARG   8          1HH1      ARG   8   3.582   5.699   1.438
   60   HH12  ARG   8          2HH1      ARG   8   3.547   7.398   1.296
   61   HH21  ARG   8          1HH2      ARG   8   6.974   7.658   0.459
   62   HH22  ARG   8          2HH2      ARG   8   5.549   8.565   0.720
   63    H    ARG   9           H        ARG   9  10.523   3.069  -1.480
   64    HA   ARG   9           HA       ARG   9  12.460   3.206  -0.324
   65    HB2  ARG   9           2HB      ARG   9  10.989   4.440   1.262
   66    HB3  ARG   9           1HB      ARG   9  10.674   2.919   2.068
   67    HG2  ARG   9           2HG      ARG   9  12.977   2.790   2.800
   68    HG3  ARG   9           1HG      ARG   9  13.369   4.256   1.903
   69    HD2  ARG   9           2HD      ARG   9  11.371   4.099   4.160
   70    HD3  ARG   9           1HD      ARG   9  13.033   4.657   4.336
   71    HE   ARG   9           HE       ARG   9  11.862   6.132   2.312
   72   HH11  ARG   9          1HH1      ARG   9  11.453   5.729   5.828
   73   HH12  ARG   9          2HH1      ARG   9  10.910   7.319   6.077
   74   HH21  ARG   9          1HH2      ARG   9  11.126   8.364   2.716
   75   HH22  ARG   9          2HH2      ARG   9  10.696   8.804   4.302
   76    H    GLY  10           H        GLY  10  11.316   0.561  -1.121
   77    HA2  GLY  10           2HA      GLY  10  12.240  -1.539  -1.165
   78    HA3  GLY  10           1HA      GLY  10  13.274  -1.069   0.177
   79    H    VAL  11           H        VAL  11  10.187  -0.201   0.914
   80    HA   VAL  11           HA       VAL  11   9.770  -2.602   2.523
   81    HB   VAL  11           HB       VAL  11   8.696   0.208   2.929
   82   HG11  VAL  11          1HG1      VAL  11   7.246  -1.482   3.877
   83   HG12  VAL  11          2HG1      VAL  11   8.060  -0.588   5.168
   84   HG13  VAL  11          3HG1      VAL  11   8.611  -2.204   4.733
   85   HG21  VAL  11          3HG2      VAL  11  10.267   0.403   4.811
   86   HG22  VAL  11          1HG2      VAL  11  11.104   0.203   3.271
   87   HG23  VAL  11          2HG2      VAL  11  10.965  -1.159   4.379
   88    H    CYS  12           H        CYS  12   8.088  -3.806   1.868
   89    HA   CYS  12           HA       CYS  12   6.230  -2.487   0.117
   90    HB2  CYS  12           2HB      CYS  12   6.728  -5.435   0.581
   91    HB3  CYS  12           1HB      CYS  12   5.440  -4.784  -0.437
   92    H    ARG  13           H        ARG  13   4.381  -1.873   0.780
   93    HA   ARG  13           HA       ARG  13   3.615  -2.694   3.474
   94    HB2  ARG  13           2HB      ARG  13   4.507  -0.426   3.253
   95    HB3  ARG  13           1HB      ARG  13   3.239  -0.039   2.100
   96    HG2  ARG  13           2HG      ARG  13   1.553  -0.433   3.825
   97    HG3  ARG  13           1HG      ARG  13   2.831  -0.801   4.990
   98    HD2  ARG  13           2HD      ARG  13   3.750   1.496   4.516
   99    HD3  ARG  13           1HD      ARG  13   2.265   1.808   3.617
  100    HE   ARG  13           HE       ARG  13   1.511   0.860   6.089
  101   HH11  ARG  13          1HH1      ARG  13   3.019   3.752   4.718
  102   HH12  ARG  13          2HH1      ARG  13   2.722   4.719   6.091
  103   HH21  ARG  13          1HH2      ARG  13   1.126   2.238   7.991
  104   HH22  ARG  13          2HH2      ARG  13   1.642   3.861   7.942
  105    H    CYS  14           H        CYS  14   1.793  -3.816   3.450
  106    HA   CYS  14           HA       CYS  14   0.015  -3.431   1.256
  107    HB2  CYS  14           2HB      CYS  14  -0.025  -5.441   3.495
  108    HB3  CYS  14           1HB      CYS  14  -1.268  -5.311   2.245
  109    H    VAL  15           H        VAL  15  -1.679  -2.219   1.342
  110    HA   VAL  15           HA       VAL  15  -2.467  -1.139   3.946
  111    HB   VAL  15           HB       VAL  15  -2.487   0.240   1.252
  112   HG11  VAL  15          1HG1      VAL  15  -3.016   2.271   2.496
  113   HG12  VAL  15          2HG1      VAL  15  -3.085   1.336   3.990
  114   HG13  VAL  15          3HG1      VAL  15  -4.259   1.036   2.705
  115   HG21  VAL  15          3HG2      VAL  15  -0.688   1.662   2.139
  116   HG22  VAL  15          1HG2      VAL  15  -0.203  -0.029   2.032
  117   HG23  VAL  15          2HG2      VAL  15  -0.636   0.663   3.593
  118    H    ABA  16           H        ABU  16  -4.542  -1.581   4.413
  119    HA   ABA  16           HA       ABU  16  -6.364  -2.521   2.402
  120    HB3  ABA  16           1HB      ABU  16  -6.938  -1.656   5.256
  121    HB2  ABA  16           2HB      ABU  16  -6.485  -3.293   4.793
  122    HG1  ABA  16           3HG      ABU  16  -8.956  -1.832   3.883
  123    HG3  ABA  16           1HG      ABU  16  -8.897  -3.094   5.112
  124    HG2  ABA  16           2HG      ABU  16  -8.506  -3.476   3.437
  125    H    ARG  17           H        ARG  17  -6.668  -1.041   0.942
  126    HA   ARG  17           HA       ARG  17  -7.592   1.548   1.826
  127    HB2  ARG  17           2HB      ARG  17  -6.495   2.422  -0.341
  128    HB3  ARG  17           1HB      ARG  17  -5.483   2.084   1.051
  129    HG2  ARG  17           2HG      ARG  17  -4.994  -0.158  -0.008
  130    HG3  ARG  17           1HG      ARG  17  -5.778   0.465  -1.465
  131    HD2  ARG  17           2HD      ARG  17  -4.215   2.333  -1.516
  132    HD3  ARG  17           1HD      ARG  17  -3.453   1.750  -0.042
  133    HE   ARG  17           HE       ARG  17  -3.020  -0.337  -1.502
  134   HH11  ARG  17          1HH1      ARG  17  -2.925   3.023  -2.577
  135   HH12  ARG  17          2HH1      ARG  17  -1.714   2.791  -3.744
  136   HH21  ARG  17          1HH2      ARG  17  -1.315  -0.676  -3.183
  137   HH22  ARG  17          2HH2      ARG  17  -0.833   0.670  -4.101
  138    H    ARG  18           H        ARG  18  -9.420   2.115   1.250
  139    HA   ARG  18           HA       ARG  18 -11.467   2.086   0.518
  140    HB2  ARG  18           2HB      ARG  18 -10.343   2.955  -1.578
  141    HB3  ARG  18           1HB      ARG  18 -10.334   1.279  -2.128
  142    HG2  ARG  18           2HG      ARG  18 -12.159   2.647  -3.127
  143    HG3  ARG  18           1HG      ARG  18 -12.723   1.219  -2.260
  144    HD2  ARG  18           2HD      ARG  18 -13.146   2.680  -0.269
  145    HD3  ARG  18           1HD      ARG  18 -12.726   4.075  -1.258
  146    HE   ARG  18           HE       ARG  18 -14.650   2.893  -2.677
  147   HH11  ARG  18          1HH1      ARG  18 -14.445   3.971   0.677
  148   HH12  ARG  18          2HH1      ARG  18 -16.121   4.104   0.910
  149   HH21  ARG  18          1HH2      ARG  18 -16.973   3.111  -2.382
  150   HH22  ARG  18          2HH2      ARG  18 -17.600   3.630  -0.893
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -10.228  -0.538   1.870
    2    HA2  GLY   1           2HA      GLY   1 -11.344  -2.457   2.654
    3    HA3  GLY   1           1HA      GLY   1 -12.403  -2.338   1.250
    4    H    VAL   2           H        VAL   2  -9.796  -1.913  -0.352
    5    HA   VAL   2           HA       VAL   2  -9.383  -4.760  -0.809
    6    HB   VAL   2           HB       VAL   2  -8.530  -2.379  -2.486
    7   HG11  VAL   2          1HG1      VAL   2  -7.132  -4.346  -2.871
    8   HG12  VAL   2          2HG1      VAL   2  -8.151  -4.018  -4.272
    9   HG13  VAL   2          3HG1      VAL   2  -8.572  -5.323  -3.167
   10   HG21  VAL   2          3HG2      VAL   2 -10.878  -4.238  -2.839
   11   HG22  VAL   2          1HG2      VAL   2 -10.374  -2.994  -3.985
   12   HG23  VAL   2          2HG2      VAL   2 -10.951  -2.536  -2.382
   13    H    ABA   3           H        ABU   3  -7.556  -5.689  -0.191
   14    HA   ABA   3           HA       ABU   3  -5.527  -4.132   1.113
   15    HB3  ABA   3           1HB      ABU   3  -5.572  -7.098   0.488
   16    HB2  ABA   3           2HB      ABU   3  -6.189  -6.367   1.968
   17    HG1  ABA   3           3HG      ABU   3  -3.320  -6.318   1.067
   18    HG3  ABA   3           1HG      ABU   3  -3.994  -7.365   2.318
   19    HG2  ABA   3           2HG      ABU   3  -3.952  -5.616   2.554
   20    H    ARG   4           H        ARG   4  -4.616  -2.877  -0.393
   21    HA   ARG   4           HA       ARG   4  -3.245  -4.169  -2.641
   22    HB2  ARG   4           2HB      ARG   4  -4.820  -2.344  -3.277
   23    HB3  ARG   4           1HB      ARG   4  -3.949  -1.238  -2.229
   24    HG2  ARG   4           2HG      ARG   4  -1.954  -1.473  -3.622
   25    HG3  ARG   4           1HG      ARG   4  -2.802  -2.597  -4.670
   26    HD2  ARG   4           2HD      ARG   4  -3.524   0.301  -4.212
   27    HD3  ARG   4           1HD      ARG   4  -2.723  -0.359  -5.634
   28    HE   ARG   4           HE       ARG   4  -5.407  -1.271  -4.878
   29   HH11  ARG   4          1HH1      ARG   4  -3.278   0.253  -7.294
   30   HH12  ARG   4          2HH1      ARG   4  -4.467   0.357  -8.487
   31   HH21  ARG   4          1HH2      ARG   4  -7.057  -1.100  -6.540
   32   HH22  ARG   4          2HH2      ARG   4  -6.669  -0.415  -8.051
   33    H    CYS   5           H        CYS   5  -1.028  -4.090  -2.655
   34    HA   CYS   5           HA       CYS   5   0.054  -2.796  -0.297
   35    HB2  CYS   5           2HB      CYS   5   1.490  -4.850  -1.950
   36    HB3  CYS   5           1HB      CYS   5   1.878  -4.313  -0.335
   37    H    VAL   6           H        VAL   6   1.512  -1.393  -0.374
   38    HA   VAL   6           HA       VAL   6   2.312  -0.342  -3.012
   39    HB   VAL   6           HB       VAL   6   2.096   1.184  -0.395
   40   HG11  VAL   6          1HG1      VAL   6   2.533   2.171  -3.211
   41   HG12  VAL   6          2HG1      VAL   6   3.722   2.156  -1.908
   42   HG13  VAL   6          3HG1      VAL   6   2.304   3.197  -1.798
   43   HG21  VAL   6          3HG2      VAL   6   0.088   2.262  -1.334
   44   HG22  VAL   6          1HG2      VAL   6  -0.137   0.529  -1.127
   45   HG23  VAL   6          2HG2      VAL   6   0.180   1.196  -2.733
   46    H    CYS   7           H        CYS   7   4.461  -0.414  -3.382
   47    HA   CYS   7           HA       CYS   7   6.151  -0.934  -1.058
   48    HB2  CYS   7           2HB      CYS   7   6.823  -1.359  -3.953
   49    HB3  CYS   7           1HB      CYS   7   7.812  -1.817  -2.580
   50    H    ARG   8           H        ARG   8   7.580   0.303  -0.438
   51    HA   ARG   8           HA       ARG   8   8.401   2.623  -2.012
   52    HB2  ARG   8           2HB      ARG   8   6.387   3.367  -0.838
   53    HB3  ARG   8           1HB      ARG   8   7.057   2.821   0.686
   54    HG2  ARG   8           2HG      ARG   8   8.818   4.511   0.518
   55    HG3  ARG   8           1HG      ARG   8   8.146   5.053  -1.020
   56    HD2  ARG   8           2HD      ARG   8   7.396   6.498   0.803
   57    HD3  ARG   8           1HD      ARG   8   6.048   5.614   0.085
   58    HE   ARG   8           HE       ARG   8   7.267   4.423   2.416
   59   HH11  ARG   8          1HH1      ARG   8   4.572   6.351   1.136
   60   HH12  ARG   8          2HH1      ARG   8   3.599   6.170   2.521
   61   HH21  ARG   8          1HH2      ARG   8   5.889   4.176   4.328
   62   HH22  ARG   8          2HH2      ARG   8   4.367   4.947   4.365
   63    H    ARG   9           H        ARG   9  10.509   2.705  -1.855
   64    HA   ARG   9           HA       ARG   9  12.630   2.649  -1.129
   65    HB2  ARG   9           2HB      ARG   9  11.628   4.242   0.582
   66    HB3  ARG   9           1HB      ARG   9  11.476   2.841   1.623
   67    HG2  ARG   9           2HG      ARG   9  13.407   4.198   2.263
   68    HG3  ARG   9           1HG      ARG   9  13.908   2.604   1.696
   69    HD2  ARG   9           2HD      ARG   9  13.898   5.048  -0.066
   70    HD3  ARG   9           1HD      ARG   9  15.295   4.579   0.900
   71    HE   ARG   9           HE       ARG   9  14.885   2.348  -0.420
   72   HH11  ARG   9          1HH1      ARG   9  14.820   5.653  -1.714
   73   HH12  ARG   9          2HH1      ARG   9  15.322   5.189  -3.270
   74   HH21  ARG   9          1HH2      ARG   9  15.592   1.755  -2.551
   75   HH22  ARG   9          2HH2      ARG   9  15.802   2.937  -3.752
   76    H    GLY  10           H        GLY  10  11.243   0.245  -1.553
   77    HA2  GLY  10           2HA      GLY  10  11.951  -1.940  -1.579
   78    HA3  GLY  10           1HA      GLY  10  13.111  -1.533  -0.321
   79    H    VAL  11           H        VAL  11  10.231  -0.367   0.723
   80    HA   VAL  11           HA       VAL  11   9.740  -2.786   2.290
   81    HB   VAL  11           HB       VAL  11   9.013   0.109   2.876
   82   HG11  VAL  11          1HG1      VAL  11   8.636  -2.361   4.576
   83   HG12  VAL  11          2HG1      VAL  11   7.356  -1.418   3.808
   84   HG13  VAL  11          3HG1      VAL  11   8.328  -0.703   5.094
   85   HG21  VAL  11          3HG2      VAL  11  11.396  -0.291   3.113
   86   HG22  VAL  11          1HG2      VAL  11  11.076  -1.679   4.151
   87   HG23  VAL  11          2HG2      VAL  11  10.650  -0.059   4.697
   88    H    CYS  12           H        CYS  12   7.928  -3.836   1.803
   89    HA   CYS  12           HA       CYS  12   6.001  -2.381   0.227
   90    HB2  CYS  12           2HB      CYS  12   6.436  -5.354   0.535
   91    HB3  CYS  12           1HB      CYS  12   5.074  -4.661  -0.338
   92    H    ARG  13           H        ARG  13   4.259  -1.746   1.111
   93    HA   ARG  13           HA       ARG  13   3.539  -2.827   3.731
   94    HB2  ARG  13           2HB      ARG  13   4.461  -0.568   3.710
   95    HB3  ARG  13           1HB      ARG  13   3.209  -0.063   2.584
   96    HG2  ARG  13           2HG      ARG  13   1.498  -0.523   4.235
   97    HG3  ARG  13           1HG      ARG  13   2.734  -1.062   5.379
   98    HD2  ARG  13           2HD      ARG  13   3.753   1.203   5.214
   99    HD3  ARG  13           1HD      ARG  13   2.377   1.694   4.223
  100    HE   ARG  13           HE       ARG  13   1.710   0.513   6.752
  101   HH11  ARG  13          1HH1      ARG  13   2.231   3.552   4.986
  102   HH12  ARG  13          2HH1      ARG  13   1.578   4.525   6.212
  103   HH21  ARG  13          1HH2      ARG  13   0.770   1.886   8.401
  104   HH22  ARG  13          2HH2      ARG  13   0.668   3.566   8.168
  105    H    CYS  14           H        CYS  14   1.582  -3.801   3.777
  106    HA   CYS  14           HA       CYS  14  -0.110  -3.343   1.508
  107    HB2  CYS  14           2HB      CYS  14  -0.331  -5.447   3.652
  108    HB3  CYS  14           1HB      CYS  14  -1.375  -5.269   2.235
  109    H    VAL  15           H        VAL  15  -1.717  -2.116   1.525
  110    HA   VAL  15           HA       VAL  15  -2.684  -1.178   4.146
  111    HB   VAL  15           HB       VAL  15  -2.561   0.454   1.594
  112   HG11  VAL  15          1HG1      VAL  15  -4.301   1.130   3.171
  113   HG12  VAL  15          2HG1      VAL  15  -3.049   2.347   2.991
  114   HG13  VAL  15          3HG1      VAL  15  -3.075   1.325   4.430
  115   HG21  VAL  15          3HG2      VAL  15  -0.693   0.564   3.966
  116   HG22  VAL  15          1HG2      VAL  15  -0.704   1.700   2.620
  117   HG23  VAL  15          2HG2      VAL  15  -0.280   0.008   2.346
  118    H    ABA  16           H        ABU  16  -4.858  -1.083   4.400
  119    HA   ABA  16           HA       ABU  16  -6.508  -2.395   2.464
  120    HB3  ABA  16           1HB      ABU  16  -7.277  -0.945   5.014
  121    HB2  ABA  16           2HB      ABU  16  -6.861  -2.652   4.931
  122    HG1  ABA  16           3HG      ABU  16  -8.793  -3.069   3.509
  123    HG3  ABA  16           1HG      ABU  16  -9.202  -1.356   3.550
  124    HG2  ABA  16           2HG      ABU  16  -9.274  -2.306   5.026
  125    H    ARG  17           H        ARG  17  -6.517  -1.157   0.689
  126    HA   ARG  17           HA       ARG  17  -7.121   1.682   0.858
  127    HB2  ARG  17           2HB      ARG  17  -6.472  -0.041  -1.543
  128    HB3  ARG  17           1HB      ARG  17  -6.662   1.699  -1.537
  129    HG2  ARG  17           2HG      ARG  17  -4.478   0.135  -0.167
  130    HG3  ARG  17           1HG      ARG  17  -4.315   1.106  -1.625
  131    HD2  ARG  17           2HD      ARG  17  -4.943   2.077   1.160
  132    HD3  ARG  17           1HD      ARG  17  -3.462   2.341   0.254
  133    HE   ARG  17           HE       ARG  17  -5.344   3.418  -1.341
  134   HH11  ARG  17          1HH1      ARG  17  -4.402   3.990   2.033
  135   HH12  ARG  17          2HH1      ARG  17  -5.078   5.548   2.095
  136   HH21  ARG  17          1HH2      ARG  17  -6.266   5.561  -1.231
  137   HH22  ARG  17          2HH2      ARG  17  -6.171   6.465   0.201
  138    H    ARG  18           H        ARG  18  -9.224   1.825   1.334
  139    HA   ARG  18           HA       ARG  18 -11.437   1.866   1.092
  140    HB2  ARG  18           2HB      ARG  18 -10.668   2.798  -1.163
  141    HB3  ARG  18           1HB      ARG  18 -10.966   1.176  -1.768
  142    HG2  ARG  18           2HG      ARG  18 -12.809   2.749  -2.278
  143    HG3  ARG  18           1HG      ARG  18 -13.318   1.366  -1.314
  144    HD2  ARG  18           2HD      ARG  18 -14.293   3.499  -0.528
  145    HD3  ARG  18           1HD      ARG  18 -13.325   2.695   0.697
  146    HE   ARG  18           HE       ARG  18 -11.618   4.449  -0.566
  147   HH11  ARG  18          1HH1      ARG  18 -14.669   4.795   1.184
  148   HH12  ARG  18          2HH1      ARG  18 -14.293   6.309   1.844
  149   HH21  ARG  18          1HH2      ARG  18 -11.090   6.514   0.307
  150   HH22  ARG  18          2HH2      ARG  18 -12.211   7.349   1.293
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -10.779  -0.145   1.920
    2    HA2  GLY   1           2HA      GLY   1 -11.690  -2.178   2.423
    3    HA3  GLY   1           1HA      GLY   1 -12.716  -2.050   1.005
    4    H    VAL   2           H        VAL   2  -9.942  -1.491  -0.434
    5    HA   VAL   2           HA       VAL   2  -9.619  -4.323  -1.065
    6    HB   VAL   2           HB       VAL   2  -8.561  -1.877  -2.520
    7   HG11  VAL   2          1HG1      VAL   2  -8.629  -4.769  -3.390
    8   HG12  VAL   2          2HG1      VAL   2  -7.189  -3.858  -2.933
    9   HG13  VAL   2          3HG1      VAL   2  -8.099  -3.409  -4.375
   10   HG21  VAL   2          3HG2      VAL   2 -10.308  -2.311  -4.168
   11   HG22  VAL   2          1HG2      VAL   2 -10.995  -1.995  -2.578
   12   HG23  VAL   2          2HG2      VAL   2 -10.911  -3.648  -3.187
   13    H    ABA   3           H        ABU   3  -7.977  -5.411  -0.273
   14    HA   ABA   3           HA       ABU   3  -5.795  -4.018   1.017
   15    HB3  ABA   3           1HB      ABU   3  -6.312  -6.991   0.674
   16    HB2  ABA   3           2HB      ABU   3  -6.748  -6.040   2.088
   17    HG1  ABA   3           3HG      ABU   3  -4.713  -7.335   2.465
   18    HG3  ABA   3           1HG      ABU   3  -4.399  -5.603   2.546
   19    HG2  ABA   3           2HG      ABU   3  -3.940  -6.517   1.109
   20    H    ARG   4           H        ARG   4  -4.321  -3.249  -0.240
   21    HA   ARG   4           HA       ARG   4  -3.240  -4.900  -2.389
   22    HB2  ARG   4           2HB      ARG   4  -4.886  -3.218  -3.300
   23    HB3  ARG   4           1HB      ARG   4  -3.893  -1.944  -2.611
   24    HG2  ARG   4           2HG      ARG   4  -2.062  -2.552  -4.061
   25    HG3  ARG   4           1HG      ARG   4  -2.997  -3.898  -4.718
   26    HD2  ARG   4           2HD      ARG   4  -4.668  -2.314  -5.564
   27    HD3  ARG   4           1HD      ARG   4  -3.719  -0.969  -4.925
   28    HE   ARG   4           HE       ARG   4  -2.117  -2.544  -6.585
   29   HH11  ARG   4          1HH1      ARG   4  -4.790  -0.238  -6.871
   30   HH12  ARG   4          2HH1      ARG   4  -4.370   0.252  -8.449
   31   HH21  ARG   4          1HH2      ARG   4  -1.546  -1.858  -8.725
   32   HH22  ARG   4          2HH2      ARG   4  -2.452  -0.645  -9.501
   33    H    CYS   5           H        CYS   5  -0.962  -4.561  -2.618
   34    HA   CYS   5           HA       CYS   5   0.052  -3.148  -0.301
   35    HB2  CYS   5           2HB      CYS   5   1.531  -5.192  -1.946
   36    HB3  CYS   5           1HB      CYS   5   1.994  -4.570  -0.370
   37    H    VAL   6           H        VAL   6   1.698  -1.771  -0.402
   38    HA   VAL   6           HA       VAL   6   2.344  -0.682  -3.077
   39    HB   VAL   6           HB       VAL   6   2.153   0.838  -0.455
   40   HG11  VAL   6          1HG1      VAL   6   3.722   1.843  -2.005
   41   HG12  VAL   6          2HG1      VAL   6   2.285   2.854  -1.830
   42   HG13  VAL   6          3HG1      VAL   6   2.491   1.857  -3.270
   43   HG21  VAL   6          3HG2      VAL   6   0.200   0.806  -2.746
   44   HG22  VAL   6          1HG2      VAL   6   0.114   1.854  -1.332
   45   HG23  VAL   6          2HG2      VAL   6  -0.065   0.106  -1.150
   46    H    CYS   7           H        CYS   7   4.517  -0.621  -3.492
   47    HA   CYS   7           HA       CYS   7   6.264  -1.076  -1.198
   48    HB2  CYS   7           2HB      CYS   7   6.891  -1.551  -4.096
   49    HB3  CYS   7           1HB      CYS   7   7.942  -1.908  -2.740
   50    H    ARG   8           H        ARG   8   7.669   0.258  -0.640
   51    HA   ARG   8           HA       ARG   8   8.379   2.580  -2.262
   52    HB2  ARG   8           2HB      ARG   8   6.314   3.296  -1.166
   53    HB3  ARG   8           1HB      ARG   8   6.946   2.805   0.393
   54    HG2  ARG   8           2HG      ARG   8   8.669   4.543   0.254
   55    HG3  ARG   8           1HG      ARG   8   8.051   5.031  -1.322
   56    HD2  ARG   8           2HD      ARG   8   6.516   5.113   1.285
   57    HD3  ARG   8           1HD      ARG   8   7.230   6.502   0.474
   58    HE   ARG   8           HE       ARG   8   5.406   4.996  -1.152
   59   HH11  ARG   8          1HH1      ARG   8   5.600   7.639   1.187
   60   HH12  ARG   8          2HH1      ARG   8   4.183   8.411   0.665
   61   HH21  ARG   8          1HH2      ARG   8   3.483   6.027  -1.902
   62   HH22  ARG   8          2HH2      ARG   8   2.914   7.442  -1.132
   63    H    ARG   9           H        ARG   9  10.438   3.060  -1.916
   64    HA   ARG   9           HA       ARG   9  12.482   3.299  -1.050
   65    HB2  ARG   9           2HB      ARG   9  11.105   4.626   0.620
   66    HB3  ARG   9           1HB      ARG   9  11.179   3.194   1.634
   67    HG2  ARG   9           2HG      ARG   9  12.814   4.929   2.301
   68    HG3  ARG   9           1HG      ARG   9  13.573   3.401   1.844
   69    HD2  ARG   9           2HD      ARG   9  14.114   4.286  -0.344
   70    HD3  ARG   9           1HD      ARG   9  13.264   5.787   0.027
   71    HE   ARG   9           HE       ARG   9  15.020   5.802   1.936
   72   HH11  ARG   9          1HH1      ARG   9  15.521   4.930  -1.474
   73   HH12  ARG   9          2HH1      ARG   9  17.116   5.498  -1.515
   74   HH21  ARG   9          1HH2      ARG   9  17.247   6.629   1.814
   75   HH22  ARG   9          2HH2      ARG   9  18.097   6.484   0.356
   76    H    GLY  10           H        GLY  10  11.278   0.520  -1.226
   77    HA2  GLY  10           2HA      GLY  10  12.586  -1.435  -1.258
   78    HA3  GLY  10           1HA      GLY  10  13.541  -0.726   0.039
   79    H    VAL  11           H        VAL  11  10.232  -0.376   0.615
   80    HA   VAL  11           HA       VAL  11  10.063  -2.945   1.942
   81    HB   VAL  11           HB       VAL  11  10.699  -1.298   3.684
   82   HG11  VAL  11          1HG1      VAL  11   8.170   0.154   2.990
   83   HG12  VAL  11          2HG1      VAL  11   9.818   0.722   2.726
   84   HG13  VAL  11          3HG1      VAL  11   9.215   0.493   4.373
   85   HG21  VAL  11          3HG2      VAL  11   7.852  -2.263   3.968
   86   HG22  VAL  11          1HG2      VAL  11   8.882  -1.720   5.295
   87   HG23  VAL  11          2HG2      VAL  11   9.309  -3.162   4.372
   88    H    CYS  12           H        CYS  12   7.933  -3.779   2.034
   89    HA   CYS  12           HA       CYS  12   6.117  -2.308   0.326
   90    HB2  CYS  12           2HB      CYS  12   6.375  -5.314   0.611
   91    HB3  CYS  12           1HB      CYS  12   5.146  -4.499  -0.340
   92    H    ARG  13           H        ARG  13   4.405  -1.672   1.168
   93    HA   ARG  13           HA       ARG  13   3.611  -2.658   3.796
   94    HB2  ARG  13           2HB      ARG  13   4.308  -0.397   3.728
   95    HB3  ARG  13           1HB      ARG  13   3.248  -0.036   2.383
   96    HG2  ARG  13           2HG      ARG  13   1.282  -0.399   3.784
   97    HG3  ARG  13           1HG      ARG  13   2.317  -0.796   5.169
   98    HD2  ARG  13           2HD      ARG  13   2.124   1.830   3.695
   99    HD3  ARG  13           1HD      ARG  13   1.536   1.492   5.325
  100    HE   ARG  13           HE       ARG  13   4.331   0.985   5.033
  101   HH11  ARG  13          1HH1      ARG  13   1.963   3.539   5.716
  102   HH12  ARG  13          2HH1      ARG  13   3.114   4.602   6.367
  103   HH21  ARG  13          1HH2      ARG  13   5.903   2.462   5.951
  104   HH22  ARG  13          2HH2      ARG  13   5.375   3.984   6.502
  105    H    CYS  14           H        CYS  14   1.940  -3.989   3.653
  106    HA   CYS  14           HA       CYS  14   0.084  -3.703   1.514
  107    HB2  CYS  14           2HB      CYS  14   0.206  -5.705   3.766
  108    HB3  CYS  14           1HB      CYS  14  -1.006  -5.691   2.478
  109    H    VAL  15           H        VAL  15  -1.713  -2.661   1.600
  110    HA   VAL  15           HA       VAL  15  -2.667  -1.809   4.226
  111    HB   VAL  15           HB       VAL  15  -1.177  -0.086   3.309
  112   HG11  VAL  15          1HG1      VAL  15  -1.784   1.234   1.342
  113   HG12  VAL  15          2HG1      VAL  15  -3.079   0.089   1.001
  114   HG13  VAL  15          3HG1      VAL  15  -1.396  -0.445   0.962
  115   HG21  VAL  15          3HG2      VAL  15  -4.077   0.727   3.426
  116   HG22  VAL  15          1HG2      VAL  15  -2.719   1.857   3.460
  117   HG23  VAL  15          2HG2      VAL  15  -2.920   0.676   4.751
  118    H    ABA  16           H        ABU  16  -4.875  -1.407   4.346
  119    HA   ABA  16           HA       ABU  16  -6.444  -2.462   2.123
  120    HB3  ABA  16           1HB      ABU  16  -7.247  -1.891   4.989
  121    HB2  ABA  16           2HB      ABU  16  -6.767  -3.465   4.367
  122    HG1  ABA  16           3HG      ABU  16  -8.694  -3.466   2.871
  123    HG3  ABA  16           1HG      ABU  16  -9.178  -1.890   3.497
  124    HG2  ABA  16           2HG      ABU  16  -9.175  -3.303   4.559
  125    H    ARG  17           H        ARG  17  -6.757  -0.859   0.748
  126    HA   ARG  17           HA       ARG  17  -7.738   1.654   1.841
  127    HB2  ARG  17           2HB      ARG  17  -5.965   1.195  -0.544
  128    HB3  ARG  17           1HB      ARG  17  -6.849   2.708  -0.309
  129    HG2  ARG  17           2HG      ARG  17  -5.798   3.025   1.829
  130    HG3  ARG  17           1HG      ARG  17  -4.955   1.492   1.670
  131    HD2  ARG  17           2HD      ARG  17  -3.603   2.322  -0.078
  132    HD3  ARG  17           1HD      ARG  17  -4.578   3.803  -0.237
  133    HE   ARG  17           HE       ARG  17  -3.668   3.649   2.355
  134   HH11  ARG  17          1HH1      ARG  17  -2.167   3.910  -0.849
  135   HH12  ARG  17          2HH1      ARG  17  -0.867   4.861  -0.326
  136   HH21  ARG  17          1HH2      ARG  17  -1.855   4.948   3.084
  137   HH22  ARG  17          2HH2      ARG  17  -0.691   5.477   1.958
  138    H    ARG  18           H        ARG  18  -9.623   2.199   1.486
  139    HA   ARG  18           HA       ARG  18 -11.771   2.129   0.938
  140    HB2  ARG  18           2HB      ARG  18 -10.749   3.245  -1.135
  141    HB3  ARG  18           1HB      ARG  18 -10.888   1.650  -1.874
  142    HG2  ARG  18           2HG      ARG  18 -13.299   1.684  -1.593
  143    HG3  ARG  18           1HG      ARG  18 -13.203   3.240  -0.778
  144    HD2  ARG  18           2HD      ARG  18 -12.300   4.238  -2.836
  145    HD3  ARG  18           1HD      ARG  18 -12.442   2.676  -3.646
  146    HE   ARG  18           HE       ARG  18 -14.888   3.411  -2.500
  147   HH11  ARG  18          1HH1      ARG  18 -12.861   4.094  -5.307
  148   HH12  ARG  18          2HH1      ARG  18 -14.117   4.756  -6.249
  149   HH21  ARG  18          1HH2      ARG  18 -16.634   4.319  -3.792
  150   HH22  ARG  18          2HH2      ARG  18 -16.316   4.857  -5.373
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -10.436   0.128   1.290
    2    HA2  GLY   1           2HA      GLY   1 -11.514  -1.686   2.232
    3    HA3  GLY   1           1HA      GLY   1 -12.510  -1.790   0.792
    4    H    VAL   2           H        VAL   2  -9.552  -1.676  -0.490
    5    HA   VAL   2           HA       VAL   2  -9.462  -4.600  -0.686
    6    HB   VAL   2           HB       VAL   2  -8.284  -2.571  -2.610
    7   HG11  VAL   2          1HG1      VAL   2  -8.256  -4.423  -4.201
    8   HG12  VAL   2          2HG1      VAL   2  -8.905  -5.492  -2.959
    9   HG13  VAL   2          3HG1      VAL   2  -7.301  -4.780  -2.761
   10   HG21  VAL   2          3HG2      VAL   2 -10.224  -2.970  -4.068
   11   HG22  VAL   2          1HG2      VAL   2 -10.699  -2.238  -2.532
   12   HG23  VAL   2          2HG2      VAL   2 -10.959  -3.960  -2.804
   13    H    ABA   3           H        ABU   3  -7.520  -5.659  -0.293
   14    HA   ABA   3           HA       ABU   3  -5.580  -4.136   1.214
   15    HB3  ABA   3           1HB      ABU   3  -5.659  -7.109   0.608
   16    HB2  ABA   3           2HB      ABU   3  -6.377  -6.354   2.024
   17    HG1  ABA   3           3HG      ABU   3  -4.253  -7.395   2.574
   18    HG3  ABA   3           1HG      ABU   3  -4.156  -5.644   2.781
   19    HG2  ABA   3           2HG      ABU   3  -3.443  -6.410   1.359
   20    H    ARG   4           H        ARG   4  -4.804  -2.869  -0.460
   21    HA   ARG   4           HA       ARG   4  -3.277  -4.195  -2.571
   22    HB2  ARG   4           2HB      ARG   4  -3.699  -1.229  -2.098
   23    HB3  ARG   4           1HB      ARG   4  -2.948  -1.958  -3.509
   24    HG2  ARG   4           2HG      ARG   4  -5.837  -2.195  -2.679
   25    HG3  ARG   4           1HG      ARG   4  -5.197  -1.260  -4.027
   26    HD2  ARG   4           2HD      ARG   4  -5.009  -4.262  -3.755
   27    HD3  ARG   4           1HD      ARG   4  -6.214  -3.416  -4.712
   28    HE   ARG   4           HE       ARG   4  -3.810  -2.518  -5.648
   29   HH11  ARG   4          1HH1      ARG   4  -5.226  -5.745  -5.252
   30   HH12  ARG   4          2HH1      ARG   4  -4.547  -6.363  -6.681
   31   HH21  ARG   4          1HH2      ARG   4  -2.887  -3.397  -7.630
   32   HH22  ARG   4          2HH2      ARG   4  -3.233  -5.011  -8.059
   33    H    CYS   5           H        CYS   5  -1.027  -3.928  -2.730
   34    HA   CYS   5           HA       CYS   5   0.042  -3.048  -0.199
   35    HB2  CYS   5           2HB      CYS   5   1.462  -4.834  -2.143
   36    HB3  CYS   5           1HB      CYS   5   1.892  -4.526  -0.480
   37    H    VAL   6           H        VAL   6   1.411  -1.592  -0.100
   38    HA   VAL   6           HA       VAL   6   2.198  -0.225  -2.575
   39    HB   VAL   6           HB       VAL   6   0.629   1.085  -1.178
   40   HG11  VAL   6          1HG1      VAL   6   2.755   1.024   0.944
   41   HG12  VAL   6          2HG1      VAL   6   1.161   0.273   1.021
   42   HG13  VAL   6          3HG1      VAL   6   1.305   2.031   0.974
   43   HG21  VAL   6          3HG2      VAL   6   1.889   3.179  -1.090
   44   HG22  VAL   6          1HG2      VAL   6   2.202   2.288  -2.578
   45   HG23  VAL   6          2HG2      VAL   6   3.394   2.279  -1.279
   46    H    CYS   7           H        CYS   7   4.349   0.276  -2.851
   47    HA   CYS   7           HA       CYS   7   6.134  -0.576  -0.693
   48    HB2  CYS   7           2HB      CYS   7   6.619  -0.875  -3.648
   49    HB3  CYS   7           1HB      CYS   7   7.743  -1.305  -2.381
   50    H    ARG   8           H        ARG   8   7.706   0.652  -0.169
   51    HA   ARG   8           HA       ARG   8   8.385   2.935  -1.836
   52    HB2  ARG   8           2HB      ARG   8   8.367   4.477   0.142
   53    HB3  ARG   8           1HB      ARG   8   6.770   3.918  -0.321
   54    HG2  ARG   8           2HG      ARG   8   6.794   2.309   1.512
   55    HG3  ARG   8           1HG      ARG   8   8.407   2.856   1.972
   56    HD2  ARG   8           2HD      ARG   8   6.779   3.903   3.407
   57    HD3  ARG   8           1HD      ARG   8   7.478   5.119   2.342
   58    HE   ARG   8           HE       ARG   8   5.259   4.400   1.011
   59   HH11  ARG   8          1HH1      ARG   8   5.830   5.545   4.300
   60   HH12  ARG   8          2HH1      ARG   8   4.267   6.161   4.542
   61   HH21  ARG   8          1HH2      ARG   8   3.097   5.282   1.299
   62   HH22  ARG   8          2HH2      ARG   8   2.660   6.006   2.779
   63    H    ARG   9           H        ARG   9  10.432   3.021  -2.117
   64    HA   ARG   9           HA       ARG   9  12.601   2.631  -2.065
   65    HB2  ARG   9           2HB      ARG   9  12.398   4.060   0.004
   66    HB3  ARG   9           1HB      ARG   9  12.363   2.556   0.917
   67    HG2  ARG   9           2HG      ARG   9  14.602   3.550   0.984
   68    HG3  ARG   9           1HG      ARG   9  14.611   2.007   0.130
   69    HD2  ARG   9           2HD      ARG   9  14.489   3.250  -2.016
   70    HD3  ARG   9           1HD      ARG   9  14.614   4.756  -1.104
   71    HE   ARG   9           HE       ARG   9  16.693   2.859  -0.584
   72   HH11  ARG   9          1HH1      ARG   9  15.718   5.620  -2.621
   73   HH12  ARG   9          2HH1      ARG   9  17.306   5.917  -3.131
   74   HH21  ARG   9          1HH2      ARG   9  18.859   3.341  -1.351
   75   HH22  ARG   9          2HH2      ARG   9  19.072   4.646  -2.426
   76    H    GLY  10           H        GLY  10  10.651   0.342  -1.809
   77    HA2  GLY  10           2HA      GLY  10  11.160  -1.907  -2.264
   78    HA3  GLY  10           1HA      GLY  10  12.672  -1.673  -1.394
   79    H    VAL  11           H        VAL  11  10.455  -0.248   0.499
   80    HA   VAL  11           HA       VAL  11  10.053  -2.683   2.064
   81    HB   VAL  11           HB       VAL  11   9.661   0.212   2.925
   82   HG11  VAL  11          1HG1      VAL  11   9.844  -2.315   4.570
   83   HG12  VAL  11          2HG1      VAL  11   8.365  -1.423   4.218
   84   HG13  VAL  11          3HG1      VAL  11   9.628  -0.681   5.202
   85   HG21  VAL  11          3HG2      VAL  11  11.775  -0.037   4.168
   86   HG22  VAL  11          1HG2      VAL  11  12.004  -0.164   2.423
   87   HG23  VAL  11          2HG2      VAL  11  12.003  -1.619   3.424
   88    H    CYS  12           H        CYS  12   8.025  -3.482   2.163
   89    HA   CYS  12           HA       CYS  12   6.044  -1.904   0.754
   90    HB2  CYS  12           2HB      CYS  12   6.372  -4.904   0.807
   91    HB3  CYS  12           1HB      CYS  12   5.086  -4.032  -0.018
   92    H    ARG  13           H        ARG  13   3.942  -2.045   1.443
   93    HA   ARG  13           HA       ARG  13   3.376  -3.480   3.883
   94    HB2  ARG  13           2HB      ARG  13   3.966  -1.337   4.685
   95    HB3  ARG  13           1HB      ARG  13   3.029  -0.528   3.439
   96    HG2  ARG  13           2HG      ARG  13   0.964  -1.299   4.391
   97    HG3  ARG  13           1HG      ARG  13   1.819  -2.253   5.605
   98    HD2  ARG  13           2HD      ARG  13   2.689  -0.198   6.578
   99    HD3  ARG  13           1HD      ARG  13   1.893   0.745   5.313
  100    HE   ARG  13           HE       ARG  13   0.069  -0.938   6.662
  101   HH11  ARG  13          1HH1      ARG  13   1.839   2.049   7.136
  102   HH12  ARG  13          2HH1      ARG  13   0.625   2.814   8.049
  103   HH21  ARG  13          1HH2      ARG  13  -1.615   0.053   7.893
  104   HH22  ARG  13          2HH2      ARG  13  -1.387   1.622   8.522
  105    H    CYS  14           H        CYS  14   1.472  -4.441   3.784
  106    HA   CYS  14           HA       CYS  14  -0.198  -3.751   1.536
  107    HB2  CYS  14           2HB      CYS  14  -0.377  -6.147   3.360
  108    HB3  CYS  14           1HB      CYS  14  -1.392  -5.797   1.960
  109    H    VAL  15           H        VAL  15  -1.771  -2.562   1.737
  110    HA   VAL  15           HA       VAL  15  -2.913  -2.205   4.415
  111    HB   VAL  15           HB       VAL  15  -1.333  -0.399   4.057
  112   HG11  VAL  15          1HG1      VAL  15  -1.605   1.281   2.292
  113   HG12  VAL  15          2HG1      VAL  15  -2.871   0.284   1.574
  114   HG13  VAL  15          3HG1      VAL  15  -1.223  -0.324   1.670
  115   HG21  VAL  15          3HG2      VAL  15  -2.831   1.574   4.348
  116   HG22  VAL  15          1HG2      VAL  15  -3.265   0.195   5.360
  117   HG23  VAL  15          2HG2      VAL  15  -4.197   0.546   3.909
  118    H    ABA  16           H        ABU  16  -5.059  -1.992   4.566
  119    HA   ABA  16           HA       ABU  16  -6.574  -2.657   2.219
  120    HB3  ABA  16           1HB      ABU  16  -8.502  -2.757   3.787
  121    HB2  ABA  16           2HB      ABU  16  -7.435  -2.198   5.074
  122    HG1  ABA  16           3HG      ABU  16  -7.124  -4.772   3.546
  123    HG3  ABA  16           1HG      ABU  16  -7.767  -4.606   5.179
  124    HG2  ABA  16           2HG      ABU  16  -6.082  -4.207   4.851
  125    H    ARG  17           H        ARG  17  -6.417  -0.969   0.963
  126    HA   ARG  17           HA       ARG  17  -7.677   1.526   1.829
  127    HB2  ARG  17           2HB      ARG  17  -5.528   1.010  -0.210
  128    HB3  ARG  17           1HB      ARG  17  -6.431   2.520  -0.157
  129    HG2  ARG  17           2HG      ARG  17  -5.676   2.867   2.155
  130    HG3  ARG  17           1HG      ARG  17  -4.738   1.384   2.050
  131    HD2  ARG  17           2HD      ARG  17  -3.256   2.274   0.524
  132    HD3  ARG  17           1HD      ARG  17  -4.327   3.619   0.084
  133    HE   ARG  17           HE       ARG  17  -2.607   3.355   2.414
  134   HH11  ARG  17          1HH1      ARG  17  -5.075   5.261   0.722
  135   HH12  ARG  17          2HH1      ARG  17  -4.790   6.688   1.577
  136   HH21  ARG  17          1HH2      ARG  17  -2.229   5.282   3.615
  137   HH22  ARG  17          2HH2      ARG  17  -3.124   6.699   3.306
  138    H    ARG  18           H        ARG  18  -9.398   2.236   0.749
  139    HA   ARG  18           HA       ARG  18 -11.236   2.189  -0.510
  140    HB2  ARG  18           2HB      ARG  18  -9.609   2.464  -2.423
  141    HB3  ARG  18           1HB      ARG  18  -9.529   0.713  -2.487
  142    HG2  ARG  18           2HG      ARG  18 -10.913   1.592  -4.303
  143    HG3  ARG  18           1HG      ARG  18 -11.868   0.621  -3.192
  144    HD2  ARG  18           2HD      ARG  18 -12.646   2.652  -2.088
  145    HD3  ARG  18           1HD      ARG  18 -11.729   3.630  -3.243
  146    HE   ARG  18           HE       ARG  18 -13.331   1.993  -4.744
  147   HH11  ARG  18          1HH1      ARG  18 -13.898   4.513  -2.299
  148   HH12  ARG  18          2HH1      ARG  18 -15.426   4.916  -2.890
  149   HH21  ARG  18          1HH2      ARG  18 -15.405   2.525  -5.513
  150   HH22  ARG  18          2HH2      ARG  18 -16.347   3.741  -4.767
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -10.381  -0.826   1.906
    2    HA2  GLY   1           2HA      GLY   1 -11.916  -2.636   2.030
    3    HA3  GLY   1           1HA      GLY   1 -12.555  -2.099   0.483
    4    H    VAL   2           H        VAL   2  -9.792  -1.754  -0.594
    5    HA   VAL   2           HA       VAL   2  -9.463  -4.570  -1.339
    6    HB   VAL   2           HB       VAL   2  -8.415  -2.060  -2.689
    7   HG11  VAL   2          1HG1      VAL   2  -7.882  -3.533  -4.576
    8   HG12  VAL   2          2HG1      VAL   2  -8.405  -4.920  -3.622
    9   HG13  VAL   2          3HG1      VAL   2  -6.992  -3.989  -3.120
   10   HG21  VAL   2          3HG2      VAL   2 -10.846  -2.213  -2.836
   11   HG22  VAL   2          1HG2      VAL   2 -10.713  -3.856  -3.463
   12   HG23  VAL   2          2HG2      VAL   2 -10.105  -2.499  -4.414
   13    H    ABA   3           H        ABU   3  -7.766  -5.640  -0.488
   14    HA   ABA   3           HA       ABU   3  -5.816  -4.117   0.983
   15    HB3  ABA   3           1HB      ABU   3  -5.900  -7.113   0.521
   16    HB2  ABA   3           2HB      ABU   3  -6.691  -6.296   1.866
   17    HG1  ABA   3           3HG      ABU   3  -3.733  -6.342   1.326
   18    HG3  ABA   3           1HG      ABU   3  -4.579  -7.270   2.566
   19    HG2  ABA   3           2HG      ABU   3  -4.515  -5.508   2.659
   20    H    ARG   4           H        ARG   4  -4.533  -3.054  -0.276
   21    HA   ARG   4           HA       ARG   4  -3.175  -4.454  -2.469
   22    HB2  ARG   4           2HB      ARG   4  -4.821  -2.700  -3.188
   23    HB3  ARG   4           1HB      ARG   4  -3.886  -1.513  -2.300
   24    HG2  ARG   4           2HG      ARG   4  -3.447  -1.457  -4.720
   25    HG3  ARG   4           1HG      ARG   4  -1.998  -1.841  -3.790
   26    HD2  ARG   4           2HD      ARG   4  -2.277  -3.257  -5.813
   27    HD3  ARG   4           1HD      ARG   4  -2.208  -4.165  -4.306
   28    HE   ARG   4           HE       ARG   4  -4.755  -3.512  -5.598
   29   HH11  ARG   4          1HH1      ARG   4  -2.556  -5.957  -4.200
   30   HH12  ARG   4          2HH1      ARG   4  -3.673  -7.217  -4.336
   31   HH21  ARG   4          1HH2      ARG   4  -6.275  -5.310  -5.792
   32   HH22  ARG   4          2HH2      ARG   4  -5.831  -6.852  -5.244
   33    H    CYS   5           H        CYS   5  -0.924  -4.264  -2.448
   34    HA   CYS   5           HA       CYS   5   0.045  -2.866  -0.113
   35    HB2  CYS   5           2HB      CYS   5   1.588  -4.857  -1.740
   36    HB3  CYS   5           1HB      CYS   5   1.947  -4.296  -0.123
   37    H    VAL   6           H        VAL   6   1.402  -1.393  -0.158
   38    HA   VAL   6           HA       VAL   6   2.053  -0.142  -2.756
   39    HB   VAL   6           HB       VAL   6   1.886   1.128   0.006
   40   HG11  VAL   6          1HG1      VAL   6   2.147   2.428  -2.696
   41   HG12  VAL   6          2HG1      VAL   6   3.409   2.317  -1.467
   42   HG13  VAL   6          3HG1      VAL   6   1.957   3.272  -1.161
   43   HG21  VAL   6          3HG2      VAL   6  -0.102   1.257  -2.262
   44   HG22  VAL   6          1HG2      VAL   6  -0.203   2.179  -0.763
   45   HG23  VAL   6          2HG2      VAL   6  -0.323   0.422  -0.724
   46    H    CYS   7           H        CYS   7   4.207   0.056  -3.248
   47    HA   CYS   7           HA       CYS   7   6.083  -0.733  -1.119
   48    HB2  CYS   7           2HB      CYS   7   6.361  -1.151  -4.078
   49    HB3  CYS   7           1HB      CYS   7   7.525  -1.633  -2.854
   50    H    ARG   8           H        ARG   8   7.843   0.358  -0.772
   51    HA   ARG   8           HA       ARG   8   8.915   2.298  -2.565
   52    HB2  ARG   8           2HB      ARG   8   6.933   3.561  -1.664
   53    HB3  ARG   8           1HB      ARG   8   7.640   3.431  -0.059
   54    HG2  ARG   8           2HG      ARG   8   9.580   4.705  -0.793
   55    HG3  ARG   8           1HG      ARG   8   8.909   4.809  -2.420
   56    HD2  ARG   8           2HD      ARG   8   8.429   6.870  -1.336
   57    HD3  ARG   8           1HD      ARG   8   6.923   5.966  -1.426
   58    HE   ARG   8           HE       ARG   8   8.521   5.792   1.002
   59   HH11  ARG   8          1HH1      ARG   8   5.524   6.871  -0.557
   60   HH12  ARG   8          2HH1      ARG   8   4.848   7.517   0.855
   61   HH21  ARG   8          1HH2      ARG   8   7.559   6.670   2.971
   62   HH22  ARG   8          2HH2      ARG   8   6.029   7.394   2.920
   63    H    ARG   9           H        ARG   9  10.988   2.779  -2.047
   64    HA   ARG   9           HA       ARG   9  12.998   2.707  -1.081
   65    HB2  ARG   9           2HB      ARG   9  11.743   4.232   0.513
   66    HB3  ARG   9           1HB      ARG   9  11.558   2.816   1.539
   67    HG2  ARG   9           2HG      ARG   9  13.383   4.189   2.358
   68    HG3  ARG   9           1HG      ARG   9  14.018   2.665   1.736
   69    HD2  ARG   9           2HD      ARG   9  15.409   4.533   1.028
   70    HD3  ARG   9           1HD      ARG   9  14.627   3.796  -0.364
   71    HE   ARG   9           HE       ARG   9  13.057   5.904   0.647
   72   HH11  ARG   9          1HH1      ARG   9  16.064   5.420  -1.144
   73   HH12  ARG   9          2HH1      ARG   9  15.943   6.877  -2.007
   74   HH21  ARG   9          1HH2      ARG   9  12.907   7.891  -0.503
   75   HH22  ARG   9          2HH2      ARG   9  14.126   8.345  -1.606
   76    H    GLY  10           H        GLY  10  11.647   0.175  -1.585
   77    HA2  GLY  10           2HA      GLY  10  12.586  -1.920  -1.544
   78    HA3  GLY  10           1HA      GLY  10  13.552  -1.416  -0.166
   79    H    VAL  11           H        VAL  11  10.364  -0.572   0.487
   80    HA   VAL  11           HA       VAL  11   9.852  -3.196   1.649
   81    HB   VAL  11           HB       VAL  11   8.899  -2.171   3.675
   82   HG11  VAL  11          1HG1      VAL  11  10.978  -1.440   4.762
   83   HG12  VAL  11          2HG1      VAL  11  11.744  -1.337   3.179
   84   HG13  VAL  11          3HG1      VAL  11  11.195  -2.896   3.791
   85   HG21  VAL  11          3HG2      VAL  11   9.948   0.446   2.591
   86   HG22  VAL  11          1HG2      VAL  11   9.288   0.199   4.208
   87   HG23  VAL  11          2HG2      VAL  11   8.253   0.005   2.794
   88    H    CYS  12           H        CYS  12   7.526  -3.504   2.183
   89    HA   CYS  12           HA       CYS  12   5.896  -1.891   0.452
   90    HB2  CYS  12           2HB      CYS  12   5.888  -4.916   0.580
   91    HB3  CYS  12           1HB      CYS  12   4.685  -3.946  -0.258
   92    H    ARG  13           H        ARG  13   4.056  -1.334   1.413
   93    HA   ARG  13           HA       ARG  13   3.358  -2.617   3.954
   94    HB2  ARG  13           2HB      ARG  13   3.940  -0.384   4.371
   95    HB3  ARG  13           1HB      ARG  13   3.074   0.206   2.965
   96    HG2  ARG  13           2HG      ARG  13   0.967  -0.087   4.009
   97    HG3  ARG  13           1HG      ARG  13   1.647  -1.042   5.327
   98    HD2  ARG  13           2HD      ARG  13   1.121   1.236   6.038
   99    HD3  ARG  13           1HD      ARG  13   2.862   0.945   6.107
  100    HE   ARG  13           HE       ARG  13   1.806   2.201   3.711
  101   HH11  ARG  13          1HH1      ARG  13   3.455   2.662   6.832
  102   HH12  ARG  13          2HH1      ARG  13   4.026   4.212   6.418
  103   HH21  ARG  13          1HH2      ARG  13   2.677   4.306   3.173
  104   HH22  ARG  13          2HH2      ARG  13   3.631   5.126   4.326
  105    H    CYS  14           H        CYS  14   1.516  -3.728   3.984
  106    HA   CYS  14           HA       CYS  14  -0.163  -3.427   1.692
  107    HB2  CYS  14           2HB      CYS  14  -0.272  -5.487   3.887
  108    HB3  CYS  14           1HB      CYS  14  -1.334  -5.420   2.472
  109    H    VAL  15           H        VAL  15  -1.841  -2.335   1.602
  110    HA   VAL  15           HA       VAL  15  -2.841  -1.089   4.068
  111    HB   VAL  15           HB       VAL  15  -2.910  -0.059   1.222
  112   HG11  VAL  15          1HG1      VAL  15  -4.719   0.816   2.614
  113   HG12  VAL  15          2HG1      VAL  15  -3.570   2.068   2.154
  114   HG13  VAL  15          3HG1      VAL  15  -3.532   1.397   3.786
  115   HG21  VAL  15          3HG2      VAL  15  -0.617  -0.145   2.036
  116   HG22  VAL  15          1HG2      VAL  15  -1.084   0.765   3.474
  117   HG23  VAL  15          2HG2      VAL  15  -1.175   1.516   1.875
  118    H    ABA  16           H        ABU  16  -4.983  -1.222   4.475
  119    HA   ABA  16           HA       ABU  16  -6.636  -2.648   2.597
  120    HB3  ABA  16           1HB      ABU  16  -7.154  -3.154   4.918
  121    HB2  ABA  16           2HB      ABU  16  -8.491  -2.197   4.304
  122    HG1  ABA  16           3HG      ABU  16  -6.293  -1.200   6.077
  123    HG3  ABA  16           1HG      ABU  16  -7.960  -1.521   6.542
  124    HG2  ABA  16           2HG      ABU  16  -7.593  -0.209   5.416
  125    H    ARG  17           H        ARG  17  -6.505  -1.417   0.888
  126    HA   ARG  17           HA       ARG  17  -6.737   1.438   0.917
  127    HB2  ARG  17           2HB      ARG  17  -5.215  -0.140  -0.501
  128    HB3  ARG  17           1HB      ARG  17  -6.642  -0.358  -1.490
  129    HG2  ARG  17           2HG      ARG  17  -5.282   1.276  -2.525
  130    HG3  ARG  17           1HG      ARG  17  -6.674   2.116  -1.840
  131    HD2  ARG  17           2HD      ARG  17  -5.363   2.883   0.030
  132    HD3  ARG  17           1HD      ARG  17  -3.994   1.895  -0.445
  133    HE   ARG  17           HE       ARG  17  -4.470   3.471  -2.612
  134   HH11  ARG  17          1HH1      ARG  17  -3.882   4.222   0.809
  135   HH12  ARG  17          2HH1      ARG  17  -2.931   5.580   0.468
  136   HH21  ARG  17          1HH2      ARG  17  -3.213   5.402  -3.039
  137   HH22  ARG  17          2HH2      ARG  17  -2.563   6.266  -1.711
  138    H    ARG  18           H        ARG  18  -8.836   1.514   1.722
  139    HA   ARG  18           HA       ARG  18 -11.083   1.744   1.691
  140    HB2  ARG  18           2HB      ARG  18 -10.300   3.242  -0.240
  141    HB3  ARG  18           1HB      ARG  18 -10.868   1.930  -1.268
  142    HG2  ARG  18           2HG      ARG  18 -13.109   2.158  -0.360
  143    HG3  ARG  18           1HG      ARG  18 -12.560   3.466   0.688
  144    HD2  ARG  18           2HD      ARG  18 -11.887   4.706  -1.376
  145    HD3  ARG  18           1HD      ARG  18 -12.673   3.436  -2.313
  146    HE   ARG  18           HE       ARG  18 -14.340   4.552  -0.296
  147   HH11  ARG  18          1HH1      ARG  18 -13.273   4.889  -3.654
  148   HH12  ARG  18          2HH1      ARG  18 -14.547   5.923  -4.095
  149   HH21  ARG  18          1HH2      ARG  18 -16.092   6.017  -0.921
  150   HH22  ARG  18          2HH2      ARG  18 -16.160   6.603  -2.504
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -11.181  -1.200   1.929
    2    HA2  GLY   1           2HA      GLY   1 -11.833  -3.416   2.216
    3    HA3  GLY   1           1HA      GLY   1 -12.764  -3.290   0.733
    4    H    VAL   2           H        VAL   2 -10.116  -2.100  -0.587
    5    HA   VAL   2           HA       VAL   2  -9.213  -4.751  -1.183
    6    HB   VAL   2           HB       VAL   2  -8.112  -3.734  -3.145
    7   HG11  VAL   2          1HG1      VAL   2 -11.077  -3.336  -2.907
    8   HG12  VAL   2          2HG1      VAL   2 -10.235  -4.808  -3.414
    9   HG13  VAL   2          3HG1      VAL   2 -10.196  -3.369  -4.434
   10   HG21  VAL   2          3HG2      VAL   2  -7.925  -1.421  -2.381
   11   HG22  VAL   2          1HG2      VAL   2  -9.674  -1.260  -2.433
   12   HG23  VAL   2          2HG2      VAL   2  -8.776  -1.508  -3.928
   13    H    ABA   3           H        ABU   3  -7.227  -5.440  -0.890
   14    HA   ABA   3           HA       ABU   3  -5.559  -3.826   0.789
   15    HB3  ABA   3           1HB      ABU   3  -5.717  -6.104   1.500
   16    HB2  ABA   3           2HB      ABU   3  -4.083  -5.873   0.911
   17    HG1  ABA   3           3HG      ABU   3  -4.927  -8.023   0.214
   18    HG3  ABA   3           1HG      ABU   3  -4.668  -6.986  -1.186
   19    HG2  ABA   3           2HG      ABU   3  -6.301  -7.258  -0.579
   20    H    ARG   4           H        ARG   4  -4.925  -2.225  -0.458
   21    HA   ARG   4           HA       ARG   4  -3.466  -2.708  -2.903
   22    HB2  ARG   4           2HB      ARG   4  -4.103  -0.191  -1.344
   23    HB3  ARG   4           1HB      ARG   4  -3.129  -0.196  -2.806
   24    HG2  ARG   4           2HG      ARG   4  -4.990  -1.010  -4.099
   25    HG3  ARG   4           1HG      ARG   4  -5.954  -1.196  -2.635
   26    HD2  ARG   4           2HD      ARG   4  -6.529   0.837  -3.939
   27    HD3  ARG   4           1HD      ARG   4  -5.994   1.190  -2.299
   28    HE   ARG   4           HE       ARG   4  -3.729   1.539  -3.527
   29   HH11  ARG   4          1HH1      ARG   4  -6.876   2.447  -4.903
   30   HH12  ARG   4          2HH1      ARG   4  -6.296   3.859  -5.630
   31   HH21  ARG   4          1HH2      ARG   4  -2.955   3.465  -4.542
   32   HH22  ARG   4          2HH2      ARG   4  -4.008   4.461  -5.443
   33    H    CYS   5           H        CYS   5  -1.427  -3.363  -2.755
   34    HA   CYS   5           HA       CYS   5  -0.029  -2.527  -0.370
   35    HB2  CYS   5           2HB      CYS   5   0.840  -4.667  -2.300
   36    HB3  CYS   5           1HB      CYS   5   1.577  -4.297  -0.764
   37    H    VAL   6           H        VAL   6   1.761  -1.477  -0.422
   38    HA   VAL   6           HA       VAL   6   2.656  -0.397  -3.005
   39    HB   VAL   6           HB       VAL   6   2.491   1.097  -0.367
   40   HG11  VAL   6          1HG1      VAL   6   3.171   2.071  -3.129
   41   HG12  VAL   6          2HG1      VAL   6   4.286   1.882  -1.777
   42   HG13  VAL   6          3HG1      VAL   6   2.997   3.083  -1.697
   43   HG21  VAL   6          3HG2      VAL   6   0.684   2.419  -1.368
   44   HG22  VAL   6          1HG2      VAL   6   0.243   0.718  -1.223
   45   HG23  VAL   6          2HG2      VAL   6   0.711   1.374  -2.789
   46    H    CYS   7           H        CYS   7   4.857  -0.450  -3.236
   47    HA   CYS   7           HA       CYS   7   6.409  -0.991  -0.832
   48    HB2  CYS   7           2HB      CYS   7   6.908  -2.137  -3.558
   49    HB3  CYS   7           1HB      CYS   7   7.950  -2.338  -2.164
   50    H    ARG   8           H        ARG   8   8.059   0.189  -0.561
   51    HA   ARG   8           HA       ARG   8   9.025   1.930  -2.674
   52    HB2  ARG   8           2HB      ARG   8   8.764   3.972  -1.240
   53    HB3  ARG   8           1HB      ARG   8   7.259   3.278  -1.811
   54    HG2  ARG   8           2HG      ARG   8   6.926   2.214   0.384
   55    HG3  ARG   8           1HG      ARG   8   8.419   2.962   0.955
   56    HD2  ARG   8           2HD      ARG   8   6.454   4.230   1.671
   57    HD3  ARG   8           1HD      ARG   8   7.467   5.166   0.573
   58    HE   ARG   8           HE       ARG   8   5.708   4.117  -1.116
   59   HH11  ARG   8          1HH1      ARG   8   5.167   5.779   1.963
   60   HH12  ARG   8          2HH1      ARG   8   3.670   6.437   1.493
   61   HH21  ARG   8          1HH2      ARG   8   3.685   5.033  -1.744
   62   HH22  ARG   8          2HH2      ARG   8   2.788   5.986  -0.655
   63    H    ARG   9           H        ARG   9  11.131   2.134  -2.587
   64    HA   ARG   9           HA       ARG   9  13.289   2.059  -1.951
   65    HB2  ARG   9           2HB      ARG   9  12.428   3.924  -0.434
   66    HB3  ARG   9           1HB      ARG   9  12.332   2.693   0.814
   67    HG2  ARG   9           2HG      ARG   9  14.748   2.324   0.640
   68    HG3  ARG   9           1HG      ARG   9  14.845   3.585  -0.588
   69    HD2  ARG   9           2HD      ARG   9  13.986   5.204   1.084
   70    HD3  ARG   9           1HD      ARG   9  13.987   3.907   2.277
   71    HE   ARG   9           HE       ARG   9  16.437   4.716   0.889
   72   HH11  ARG   9          1HH1      ARG   9  14.669   4.239   3.913
   73   HH12  ARG   9          2HH1      ARG   9  16.015   4.379   4.930
   74   HH21  ARG   9          1HH2      ARG   9  18.317   4.950   2.270
   75   HH22  ARG   9          2HH2      ARG   9  18.164   4.809   3.957
   76    H    GLY  10           H        GLY  10  11.657  -0.356  -1.786
   77    HA2  GLY  10           2HA      GLY  10  12.295  -2.556  -1.404
   78    HA3  GLY  10           1HA      GLY  10  13.552  -1.949  -0.346
   79    H    VAL  11           H        VAL  11  10.703  -0.471   0.560
   80    HA   VAL  11           HA       VAL  11  10.229  -2.496   2.635
   81    HB   VAL  11           HB       VAL  11   9.575   0.478   2.696
   82   HG11  VAL  11          1HG1      VAL  11   9.198   0.140   5.103
   83   HG12  VAL  11          2HG1      VAL  11   9.480  -1.586   4.896
   84   HG13  VAL  11          3HG1      VAL  11   8.098  -0.818   4.115
   85   HG21  VAL  11          3HG2      VAL  11  11.847  -0.979   4.038
   86   HG22  VAL  11          1HG2      VAL  11  11.432   0.718   4.289
   87   HG23  VAL  11          2HG2      VAL  11  11.990   0.168   2.706
   88    H    CYS  12           H        CYS  12   8.090  -3.237   2.827
   89    HA   CYS  12           HA       CYS  12   6.314  -2.112   0.817
   90    HB2  CYS  12           2HB      CYS  12   6.549  -4.983   1.711
   91    HB3  CYS  12           1HB      CYS  12   5.206  -4.372   0.759
   92    H    ARG  13           H        ARG  13   4.153  -1.867   1.346
   93    HA   ARG  13           HA       ARG  13   3.291  -2.529   4.036
   94    HB2  ARG  13           2HB      ARG  13   4.127  -0.271   4.236
   95    HB3  ARG  13           1HB      ARG  13   3.261   0.233   2.803
   96    HG2  ARG  13           2HG      ARG  13   2.214   1.045   4.895
   97    HG3  ARG  13           1HG      ARG  13   1.131   0.026   3.957
   98    HD2  ARG  13           2HD      ARG  13   1.067  -0.450   6.394
   99    HD3  ARG  13           1HD      ARG  13   1.523  -1.842   5.417
  100    HE   ARG  13           HE       ARG  13   3.844  -0.514   6.255
  101   HH11  ARG  13          1HH1      ARG  13   1.205  -2.307   7.789
  102   HH12  ARG  13          2HH1      ARG  13   2.223  -3.094   8.910
  103   HH21  ARG  13          1HH2      ARG  13   5.199  -1.567   7.828
  104   HH22  ARG  13          2HH2      ARG  13   4.519  -2.621   8.971
  105    H    CYS  14           H        CYS  14   1.469  -3.648   3.762
  106    HA   CYS  14           HA       CYS  14  -0.154  -3.061   1.464
  107    HB2  CYS  14           2HB      CYS  14  -0.364  -5.281   3.500
  108    HB3  CYS  14           1HB      CYS  14  -1.543  -4.956   2.220
  109    H    VAL  15           H        VAL  15  -1.742  -1.777   1.492
  110    HA   VAL  15           HA       VAL  15  -2.900  -1.214   4.097
  111    HB   VAL  15           HB       VAL  15  -1.572   0.698   3.442
  112   HG11  VAL  15          1HG1      VAL  15  -2.082   2.092   1.506
  113   HG12  VAL  15          2HG1      VAL  15  -3.258   0.892   0.963
  114   HG13  VAL  15          3HG1      VAL  15  -1.548   0.476   1.043
  115   HG21  VAL  15          3HG2      VAL  15  -3.313   2.469   3.555
  116   HG22  VAL  15          1HG2      VAL  15  -3.525   1.174   4.733
  117   HG23  VAL  15          2HG2      VAL  15  -4.530   1.219   3.292
  118    H    ABA  16           H        ABU  16  -4.894  -1.744   4.333
  119    HA   ABA  16           HA       ABU  16  -6.507  -2.464   2.070
  120    HB3  ABA  16           1HB      ABU  16  -7.202  -2.382   5.022
  121    HB2  ABA  16           2HB      ABU  16  -6.574  -3.787   4.173
  122    HG1  ABA  16           3HG      ABU  16  -8.577  -3.853   2.780
  123    HG3  ABA  16           1HG      ABU  16  -9.220  -2.453   3.636
  124    HG2  ABA  16           2HG      ABU  16  -8.973  -3.977   4.492
  125    H    ARG  17           H        ARG  17  -7.431  -0.963   0.942
  126    HA   ARG  17           HA       ARG  17  -8.601   1.364   2.307
  127    HB2  ARG  17           2HB      ARG  17  -7.219   1.316  -0.394
  128    HB3  ARG  17           1HB      ARG  17  -7.983   2.715   0.340
  129    HG2  ARG  17           2HG      ARG  17  -6.328   2.707   2.130
  130    HG3  ARG  17           1HG      ARG  17  -5.596   1.254   1.449
  131    HD2  ARG  17           2HD      ARG  17  -4.307   3.216   0.844
  132    HD3  ARG  17           1HD      ARG  17  -5.031   2.497  -0.586
  133    HE   ARG  17           HE       ARG  17  -6.624   4.554   0.582
  134   HH11  ARG  17          1HH1      ARG  17  -3.845   4.051  -1.583
  135   HH12  ARG  17          2HH1      ARG  17  -4.103   5.473  -2.467
  136   HH21  ARG  17          1HH2      ARG  17  -6.973   6.512  -0.647
  137   HH22  ARG  17          2HH2      ARG  17  -5.964   6.868  -1.976
  138    H    ARG  18           H        ARG  18 -10.725   1.245   2.059
  139    HA   ARG  18           HA       ARG  18 -12.803   0.995   1.165
  140    HB2  ARG  18           2HB      ARG  18 -11.650   2.336  -0.701
  141    HB3  ARG  18           1HB      ARG  18 -11.513   0.778  -1.511
  142    HG2  ARG  18           2HG      ARG  18 -13.975   0.589  -1.481
  143    HG3  ARG  18           1HG      ARG  18 -14.063   2.198  -0.758
  144    HD2  ARG  18           2HD      ARG  18 -13.016   1.458  -3.488
  145    HD3  ARG  18           1HD      ARG  18 -14.426   2.442  -3.093
  146    HE   ARG  18           HE       ARG  18 -11.811   3.375  -2.209
  147   HH11  ARG  18          1HH1      ARG  18 -14.513   3.792  -4.454
  148   HH12  ARG  18          2HH1      ARG  18 -13.998   5.315  -5.005
  149   HH21  ARG  18          1HH2      ARG  18 -11.063   5.370  -3.001
  150   HH22  ARG  18          2HH2      ARG  18 -11.907   6.232  -4.199
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -9.923   0.637   1.597
    2    HA2  GLY   1           2HA      GLY   1 -11.201  -1.044   2.537
    3    HA3  GLY   1           1HA      GLY   1 -12.246  -0.973   1.127
    4    H    VAL   2           H        VAL   2  -9.406  -1.217  -0.378
    5    HA   VAL   2           HA       VAL   2  -9.610  -4.116  -0.268
    6    HB   VAL   2           HB       VAL   2 -10.216  -3.193  -2.472
    7   HG11  VAL   2          1HG1      VAL   2  -8.571  -2.152  -3.949
    8   HG12  VAL   2          2HG1      VAL   2  -7.415  -2.113  -2.620
    9   HG13  VAL   2          3HG1      VAL   2  -8.904  -1.174  -2.521
   10   HG21  VAL   2          3HG2      VAL   2  -7.631  -4.736  -2.517
   11   HG22  VAL   2          1HG2      VAL   2  -8.729  -4.553  -3.886
   12   HG23  VAL   2          2HG2      VAL   2  -9.259  -5.405  -2.433
   13    H    ABA   3           H        ABU   3  -7.938  -5.303   0.306
   14    HA   ABA   3           HA       ABU   3  -5.592  -4.058   1.343
   15    HB3  ABA   3           1HB      ABU   3  -6.135  -7.007   0.874
   16    HB2  ABA   3           2HB      ABU   3  -6.538  -6.120   2.338
   17    HG1  ABA   3           3HG      ABU   3  -4.187  -5.700   2.766
   18    HG3  ABA   3           1HG      ABU   3  -3.755  -6.554   1.286
   19    HG2  ABA   3           2HG      ABU   3  -4.507  -7.427   2.621
   20    H    ARG   4           H        ARG   4  -4.491  -3.069  -0.121
   21    HA   ARG   4           HA       ARG   4  -3.579  -4.514  -2.497
   22    HB2  ARG   4           2HB      ARG   4  -4.874  -2.456  -2.915
   23    HB3  ARG   4           1HB      ARG   4  -3.761  -1.553  -1.902
   24    HG2  ARG   4           2HG      ARG   4  -1.959  -2.013  -3.480
   25    HG3  ARG   4           1HG      ARG   4  -3.088  -2.915  -4.493
   26    HD2  ARG   4           2HD      ARG   4  -3.313   0.006  -3.769
   27    HD3  ARG   4           1HD      ARG   4  -2.767  -0.626  -5.317
   28    HE   ARG   4           HE       ARG   4  -5.179  -1.755  -5.072
   29   HH11  ARG   4          1HH1      ARG   4  -4.104   1.620  -4.817
   30   HH12  ARG   4          2HH1      ARG   4  -5.606   2.269  -5.310
   31   HH21  ARG   4          1HH2      ARG   4  -7.241  -0.800  -5.770
   32   HH22  ARG   4          2HH2      ARG   4  -7.382   0.897  -5.838
   33    H    CYS   5           H        CYS   5  -1.382  -4.918  -2.566
   34    HA   CYS   5           HA       CYS   5   0.057  -3.769  -0.351
   35    HB2  CYS   5           2HB      CYS   5   1.089  -5.883  -2.227
   36    HB3  CYS   5           1HB      CYS   5   1.741  -5.459  -0.665
   37    H    VAL   6           H        VAL   6   1.680  -2.535  -0.530
   38    HA   VAL   6           HA       VAL   6   2.286  -1.472  -3.220
   39    HB   VAL   6           HB       VAL   6   1.973   0.195  -0.704
   40   HG11  VAL   6          1HG1      VAL   6   2.154   2.140  -2.181
   41   HG12  VAL   6          2HG1      VAL   6   2.442   1.064  -3.548
   42   HG13  VAL   6          3HG1      VAL   6   3.608   1.137  -2.226
   43   HG21  VAL   6          3HG2      VAL   6  -0.212  -0.579  -1.457
   44   HG22  VAL   6          1HG2      VAL   6   0.120   0.001  -3.087
   45   HG23  VAL   6          2HG2      VAL   6  -0.043   1.146  -1.757
   46    H    CYS   7           H        CYS   7   4.419  -1.279  -3.628
   47    HA   CYS   7           HA       CYS   7   6.245  -1.433  -1.348
   48    HB2  CYS   7           2HB      CYS   7   6.879  -1.829  -4.257
   49    HB3  CYS   7           1HB      CYS   7   7.985  -2.020  -2.908
   50    H    ARG   8           H        ARG   8   7.396   0.127  -0.832
   51    HA   ARG   8           HA       ARG   8   7.991   2.405  -2.420
   52    HB2  ARG   8           2HB      ARG   8   5.588   2.806  -2.178
   53    HB3  ARG   8           1HB      ARG   8   5.702   2.591  -0.446
   54    HG2  ARG   8           2HG      ARG   8   6.760   4.677  -0.156
   55    HG3  ARG   8           1HG      ARG   8   7.125   4.813  -1.880
   56    HD2  ARG   8           2HD      ARG   8   4.341   4.767  -0.717
   57    HD3  ARG   8           1HD      ARG   8   5.205   6.234  -1.191
   58    HE   ARG   8           HE       ARG   8   5.300   4.530  -3.340
   59   HH11  ARG   8          1HH1      ARG   8   2.678   6.153  -1.586
   60   HH12  ARG   8          2HH1      ARG   8   1.690   6.328  -2.946
   61   HH21  ARG   8          1HH2      ARG   8   3.973   4.746  -5.188
   62   HH22  ARG   8          2HH2      ARG   8   2.459   5.527  -5.084
   63    H    ARG   9           H        ARG   9   9.382   3.816  -1.267
   64    HA   ARG   9           HA       ARG   9  10.896   4.453   0.293
   65    HB2  ARG   9           2HB      ARG   9   8.829   4.693   1.697
   66    HB3  ARG   9           1HB      ARG   9   9.086   3.047   2.222
   67    HG2  ARG   9           2HG      ARG   9   9.736   4.683   3.947
   68    HG3  ARG   9           1HG      ARG   9  11.101   3.703   3.423
   69    HD2  ARG   9           2HD      ARG   9  10.540   6.400   2.241
   70    HD3  ARG   9           1HD      ARG   9  11.448   6.231   3.743
   71    HE   ARG   9           HE       ARG   9  12.871   4.662   2.286
   72   HH11  ARG   9          1HH1      ARG   9  11.397   7.668   1.160
   73   HH12  ARG   9          2HH1      ARG   9  12.618   8.028   0.042
   74   HH21  ARG   9          1HH2      ARG   9  14.568   5.150   0.801
   75   HH22  ARG   9          2HH2      ARG   9  14.505   6.544  -0.179
   76    H    GLY  10           H        GLY  10  10.768   1.700  -0.956
   77    HA2  GLY  10           2HA      GLY  10  12.524   0.206  -1.185
   78    HA3  GLY  10           1HA      GLY  10  13.073   0.683   0.415
   79    H    VAL  11           H        VAL  11   9.857   0.127   0.846
   80    HA   VAL  11           HA       VAL  11  10.323  -2.712   1.363
   81    HB   VAL  11           HB       VAL  11   9.085  -2.514   3.507
   82   HG11  VAL  11          1HG1      VAL  11  10.905  -1.509   4.822
   83   HG12  VAL  11          2HG1      VAL  11  11.561  -0.807   3.342
   84   HG13  VAL  11          3HG1      VAL  11  11.511  -2.560   3.539
   85   HG21  VAL  11          3HG2      VAL  11   7.849  -0.458   3.039
   86   HG22  VAL  11          1HG2      VAL  11   9.348   0.465   3.068
   87   HG23  VAL  11          2HG2      VAL  11   8.757  -0.308   4.543
   88    H    CYS  12           H        CYS  12   8.156  -3.799   1.912
   89    HA   CYS  12           HA       CYS  12   6.125  -2.585   0.227
   90    HB2  CYS  12           2HB      CYS  12   6.760  -5.535   0.496
   91    HB3  CYS  12           1HB      CYS  12   5.483  -4.845  -0.496
   92    H    ARG  13           H        ARG  13   4.133  -2.527   1.042
   93    HA   ARG  13           HA       ARG  13   3.627  -3.922   3.568
   94    HB2  ARG  13           2HB      ARG  13   4.176  -1.640   4.170
   95    HB3  ARG  13           1HB      ARG  13   3.065  -1.014   2.958
   96    HG2  ARG  13           2HG      ARG  13   1.185  -1.988   4.181
   97    HG3  ARG  13           1HG      ARG  13   2.293  -2.594   5.409
   98    HD2  ARG  13           2HD      ARG  13   2.956  -0.313   5.911
   99    HD3  ARG  13           1HD      ARG  13   1.830   0.299   4.691
  100    HE   ARG  13           HE       ARG  13   0.699  -1.411   6.713
  101   HH11  ARG  13          1HH1      ARG  13   1.465   1.970   5.957
  102   HH12  ARG  13          2HH1      ARG  13   0.214   2.611   6.905
  103   HH21  ARG  13          1HH2      ARG  13  -1.022  -0.502   8.019
  104   HH22  ARG  13          2HH2      ARG  13  -1.232   1.178   8.105
  105    H    CYS  14           H        CYS  14   1.680  -4.877   3.621
  106    HA   CYS  14           HA       CYS  14  -0.080  -4.308   1.444
  107    HB2  CYS  14           2HB      CYS  14  -0.243  -6.465   3.548
  108    HB3  CYS  14           1HB      CYS  14  -1.396  -6.201   2.224
  109    H    VAL  15           H        VAL  15  -1.609  -3.006   1.580
  110    HA   VAL  15           HA       VAL  15  -2.603  -2.252   4.232
  111    HB   VAL  15           HB       VAL  15  -0.855  -0.686   3.734
  112   HG11  VAL  15          1HG1      VAL  15  -2.226  -0.154   1.115
  113   HG12  VAL  15          2HG1      VAL  15  -0.641  -0.887   1.372
  114   HG13  VAL  15          3HG1      VAL  15  -0.901   0.810   1.769
  115   HG21  VAL  15          3HG2      VAL  15  -2.763   0.280   4.859
  116   HG22  VAL  15          1HG2      VAL  15  -3.549   0.607   3.311
  117   HG23  VAL  15          2HG2      VAL  15  -2.072   1.461   3.747
  118    H    ABA  16           H        ABU  16  -4.727  -1.789   4.354
  119    HA   ABA  16           HA       ABU  16  -6.366  -2.373   2.055
  120    HB3  ABA  16           1HB      ABU  16  -8.253  -2.110   3.643
  121    HB2  ABA  16           2HB      ABU  16  -7.110  -1.628   4.893
  122    HG1  ABA  16           3HG      ABU  16  -7.755  -3.935   5.177
  123    HG3  ABA  16           1HG      ABU  16  -6.046  -3.819   4.763
  124    HG2  ABA  16           2HG      ABU  16  -7.218  -4.311   3.539
  125    H    ARG  17           H        ARG  17  -6.082  -0.759   0.667
  126    HA   ARG  17           HA       ARG  17  -6.794   1.935   1.564
  127    HB2  ARG  17           2HB      ARG  17  -5.343   1.044  -0.932
  128    HB3  ARG  17           1HB      ARG  17  -5.798   2.707  -0.590
  129    HG2  ARG  17           2HG      ARG  17  -4.400   2.647   1.431
  130    HG3  ARG  17           1HG      ARG  17  -3.913   1.006   1.018
  131    HD2  ARG  17           2HD      ARG  17  -2.213   2.553   0.312
  132    HD3  ARG  17           1HD      ARG  17  -2.995   1.869  -1.111
  133    HE   ARG  17           HE       ARG  17  -4.322   4.225  -0.479
  134   HH11  ARG  17          1HH1      ARG  17  -1.093   3.248  -1.611
  135   HH12  ARG  17          2HH1      ARG  17  -0.756   4.722  -2.371
  136   HH21  ARG  17          1HH2      ARG  17  -3.808   6.308  -1.527
  137   HH22  ARG  17          2HH2      ARG  17  -2.308   6.489  -2.300
  138    H    ARG  18           H        ARG  18  -8.655   2.739   0.979
  139    HA   ARG  18           HA       ARG  18 -10.731   2.908   0.133
  140    HB2  ARG  18           2HB      ARG  18  -9.450   3.354  -1.982
  141    HB3  ARG  18           1HB      ARG  18  -9.522   1.627  -2.288
  142    HG2  ARG  18           2HG      ARG  18 -11.877   1.706  -2.661
  143    HG3  ARG  18           1HG      ARG  18 -11.961   3.376  -2.100
  144    HD2  ARG  18           2HD      ARG  18 -10.423   2.465  -4.530
  145    HD3  ARG  18           1HD      ARG  18 -12.058   3.124  -4.583
  146    HE   ARG  18           HE       ARG  18 -10.412   4.892  -3.191
  147   HH11  ARG  18          1HH1      ARG  18 -10.814   3.722  -6.513
  148   HH12  ARG  18          2HH1      ARG  18 -10.331   5.202  -7.222
  149   HH21  ARG  18          1HH2      ARG  18  -9.732   6.913  -4.210
  150   HH22  ARG  18          2HH2      ARG  18  -9.693   7.013  -5.911
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -10.533   0.245   1.272
    2    HA2  GLY   1           2HA      GLY   1 -11.414  -1.655   2.273
    3    HA3  GLY   1           1HA      GLY   1 -12.641  -1.653   1.013
    4    H    VAL   2           H        VAL   2  -9.438  -1.599  -0.098
    5    HA   VAL   2           HA       VAL   2  -9.529  -4.469  -0.696
    6    HB   VAL   2           HB       VAL   2  -8.270  -2.232  -2.325
    7   HG11  VAL   2          1HG1      VAL   2  -8.558  -5.156  -2.963
    8   HG12  VAL   2          2HG1      VAL   2  -7.059  -4.321  -2.556
    9   HG13  VAL   2          3HG1      VAL   2  -7.912  -3.925  -4.049
   10   HG21  VAL   2          3HG2      VAL   2 -10.766  -3.832  -2.904
   11   HG22  VAL   2          1HG2      VAL   2 -10.014  -2.676  -4.005
   12   HG23  VAL   2          2HG2      VAL   2 -10.697  -2.124  -2.475
   13    H    ABA   3           H        ABU   3  -7.831  -5.573   0.129
   14    HA   ABA   3           HA       ABU   3  -5.711  -4.102   1.402
   15    HB3  ABA   3           1HB      ABU   3  -6.037  -7.108   1.059
   16    HB2  ABA   3           2HB      ABU   3  -6.651  -6.191   2.429
   17    HG1  ABA   3           3HG      ABU   3  -3.755  -6.491   1.680
   18    HG3  ABA   3           1HG      ABU   3  -4.578  -7.326   2.995
   19    HG2  ABA   3           2HG      ABU   3  -4.374  -5.574   3.050
   20    H    ARG   4           H        ARG   4  -4.780  -3.080  -0.288
   21    HA   ARG   4           HA       ARG   4  -3.453  -4.789  -2.244
   22    HB2  ARG   4           2HB      ARG   4  -3.340  -2.869  -3.769
   23    HB3  ARG   4           1HB      ARG   4  -4.997  -3.240  -3.341
   24    HG2  ARG   4           2HG      ARG   4  -5.043  -1.321  -1.831
   25    HG3  ARG   4           1HG      ARG   4  -3.350  -0.981  -2.205
   26    HD2  ARG   4           2HD      ARG   4  -3.971  -0.730  -4.601
   27    HD3  ARG   4           1HD      ARG   4  -5.657  -0.957  -4.158
   28    HE   ARG   4           HE       ARG   4  -5.112   1.092  -2.649
   29   HH11  ARG   4          1HH1      ARG   4  -4.210   0.566  -6.048
   30   HH12  ARG   4          2HH1      ARG   4  -4.095   2.216  -6.423
   31   HH21  ARG   4          1HH2      ARG   4  -4.954   3.424  -3.216
   32   HH22  ARG   4          2HH2      ARG   4  -4.483   3.838  -4.789
   33    H    CYS   5           H        CYS   5  -1.266  -4.353  -2.709
   34    HA   CYS   5           HA       CYS   5  -0.062  -3.244  -0.325
   35    HB2  CYS   5           2HB      CYS   5   1.232  -5.149  -2.256
   36    HB3  CYS   5           1HB      CYS   5   1.776  -4.724  -0.643
   37    H    VAL   6           H        VAL   6   1.516  -1.896  -0.362
   38    HA   VAL   6           HA       VAL   6   2.147  -0.545  -2.903
   39    HB   VAL   6           HB       VAL   6   1.962   0.756  -0.157
   40   HG11  VAL   6          1HG1      VAL   6   1.940   2.877  -1.380
   41   HG12  VAL   6          2HG1      VAL   6   2.119   1.990  -2.896
   42   HG13  VAL   6          3HG1      VAL   6   3.404   1.941  -1.692
   43   HG21  VAL   6          3HG2      VAL   6  -0.133   0.788  -2.331
   44   HG22  VAL   6          1HG2      VAL   6  -0.166   1.785  -0.878
   45   HG23  VAL   6          2HG2      VAL   6  -0.275   0.029  -0.747
   46    H    CYS   7           H        CYS   7   4.329   0.364  -2.845
   47    HA   CYS   7           HA       CYS   7   6.051  -0.697  -0.765
   48    HB2  CYS   7           2HB      CYS   7   6.661  -0.859  -3.723
   49    HB3  CYS   7           1HB      CYS   7   7.755  -1.303  -2.426
   50    H    ARG   8           H        ARG   8   7.729   0.538  -0.222
   51    HA   ARG   8           HA       ARG   8   8.191   3.013  -1.672
   52    HB2  ARG   8           2HB      ARG   8   6.343   3.515  -0.069
   53    HB3  ARG   8           1HB      ARG   8   7.374   2.976   1.248
   54    HG2  ARG   8           2HG      ARG   8   7.367   5.371   1.183
   55    HG3  ARG   8           1HG      ARG   8   8.961   4.791   0.688
   56    HD2  ARG   8           2HD      ARG   8   8.288   5.112  -1.675
   57    HD3  ARG   8           1HD      ARG   8   6.739   5.747  -1.121
   58    HE   ARG   8           HE       ARG   8   8.994   7.098   0.001
   59   HH11  ARG   8          1HH1      ARG   8   6.862   7.023  -2.834
   60   HH12  ARG   8          2HH1      ARG   8   7.188   8.629  -3.281
   61   HH21  ARG   8          1HH2      ARG   8   9.463   9.248  -0.634
   62   HH22  ARG   8          2HH2      ARG   8   8.733   9.935  -2.017
   63    H    ARG   9           H        ARG   9  10.303   3.264  -1.758
   64    HA   ARG   9           HA       ARG   9  12.504   3.054  -1.452
   65    HB2  ARG   9           2HB      ARG   9  11.884   4.543   0.494
   66    HB3  ARG   9           1HB      ARG   9  11.856   3.078   1.471
   67    HG2  ARG   9           2HG      ARG   9  14.251   2.722   0.971
   68    HG3  ARG   9           1HG      ARG   9  14.254   4.238   0.074
   69    HD2  ARG   9           2HD      ARG   9  13.531   3.985   2.982
   70    HD3  ARG   9           1HD      ARG   9  15.138   4.400   2.404
   71    HE   ARG   9           HE       ARG   9  13.723   6.274   1.228
   72   HH11  ARG   9          1HH1      ARG   9  13.328   5.056   4.515
   73   HH12  ARG   9          2HH1      ARG   9  13.034   6.594   5.203
   74   HH21  ARG   9          1HH2      ARG   9  13.325   8.393   2.184
   75   HH22  ARG   9          2HH2      ARG   9  13.062   8.534   3.869
   76    H    GLY  10           H        GLY  10  11.127   0.652  -1.830
   77    HA2  GLY  10           2HA      GLY  10  11.902  -1.511  -2.076
   78    HA3  GLY  10           1HA      GLY  10  13.149  -1.142  -0.896
   79    H    VAL  11           H        VAL  11  10.513  -0.123   0.668
   80    HA   VAL  11           HA       VAL  11  10.202  -2.725   1.979
   81    HB   VAL  11           HB       VAL  11   9.464   0.039   3.005
   82   HG11  VAL  11          1HG1      VAL  11   9.202  -1.055   5.186
   83   HG12  VAL  11          2HG1      VAL  11   9.548  -2.615   4.446
   84   HG13  VAL  11          3HG1      VAL  11   8.093  -1.732   3.991
   85   HG21  VAL  11          3HG2      VAL  11  11.872  -0.200   2.804
   86   HG22  VAL  11          1HG2      VAL  11  11.820  -1.698   3.735
   87   HG23  VAL  11          2HG2      VAL  11  11.386  -0.169   4.501
   88    H    CYS  12           H        CYS  12   8.253  -3.718   1.868
   89    HA   CYS  12           HA       CYS  12   6.253  -2.203   0.442
   90    HB2  CYS  12           2HB      CYS  12   6.766  -5.174   0.434
   91    HB3  CYS  12           1HB      CYS  12   5.360  -4.410  -0.316
   92    H    ARG  13           H        ARG  13   4.107  -2.363   1.059
   93    HA   ARG  13           HA       ARG  13   3.613  -3.536   3.652
   94    HB2  ARG  13           2HB      ARG  13   2.726  -1.407   4.513
   95    HB3  ARG  13           1HB      ARG  13   4.416  -1.292   3.994
   96    HG2  ARG  13           2HG      ARG  13   3.818  -0.103   2.025
   97    HG3  ARG  13           1HG      ARG  13   2.098  -0.307   2.363
   98    HD2  ARG  13           2HD      ARG  13   2.843   1.925   3.024
   99    HD3  ARG  13           1HD      ARG  13   2.354   0.975   4.429
  100    HE   ARG  13           HE       ARG  13   5.170   0.916   3.792
  101   HH11  ARG  13          1HH1      ARG  13   2.658   2.461   5.732
  102   HH12  ARG  13          2HH1      ARG  13   3.719   3.105   6.888
  103   HH21  ARG  13          1HH2      ARG  13   6.640   1.763   5.351
  104   HH22  ARG  13          2HH2      ARG  13   6.084   2.681   6.668
  105    H    CYS  14           H        CYS  14   1.596  -4.399   3.753
  106    HA   CYS  14           HA       CYS  14  -0.118  -3.827   1.495
  107    HB2  CYS  14           2HB      CYS  14  -0.275  -6.122   3.438
  108    HB3  CYS  14           1HB      CYS  14  -1.375  -5.802   2.079
  109    H    VAL  15           H        VAL  15  -1.663  -2.567   1.654
  110    HA   VAL  15           HA       VAL  15  -2.620  -1.858   4.354
  111    HB   VAL  15           HB       VAL  15  -2.233   0.060   2.039
  112   HG11  VAL  15          1HG1      VAL  15  -2.845   0.588   4.941
  113   HG12  VAL  15          2HG1      VAL  15  -3.974   0.753   3.593
  114   HG13  VAL  15          3HG1      VAL  15  -2.561   1.806   3.698
  115   HG21  VAL  15          3HG2      VAL  15  -0.059  -0.717   2.825
  116   HG22  VAL  15          1HG2      VAL  15  -0.494  -0.292   4.481
  117   HG23  VAL  15          2HG2      VAL  15  -0.314   0.970   3.261
  118    H    ABA  16           H        ABU  16  -4.773  -1.559   4.572
  119    HA   ABA  16           HA       ABU  16  -6.446  -2.368   2.367
  120    HB3  ABA  16           1HB      ABU  16  -7.233  -1.484   5.158
  121    HB2  ABA  16           2HB      ABU  16  -6.875  -3.145   4.714
  122    HG1  ABA  16           3HG      ABU  16  -9.271  -2.752   4.805
  123    HG3  ABA  16           1HG      ABU  16  -8.752  -3.147   3.165
  124    HG2  ABA  16           2HG      ABU  16  -9.114  -1.475   3.597
  125    H    ARG  17           H        ARG  17  -6.794  -0.926   0.897
  126    HA   ARG  17           HA       ARG  17  -7.603   1.793   1.634
  127    HB2  ARG  17           2HB      ARG  17  -5.793   1.037  -0.685
  128    HB3  ARG  17           1HB      ARG  17  -6.385   2.650  -0.344
  129    HG2  ARG  17           2HG      ARG  17  -5.109   2.656   1.771
  130    HG3  ARG  17           1HG      ARG  17  -4.515   1.044   1.387
  131    HD2  ARG  17           2HD      ARG  17  -2.842   2.696   0.825
  132    HD3  ARG  17           1HD      ARG  17  -3.454   1.946  -0.647
  133    HE   ARG  17           HE       ARG  17  -4.943   4.252  -0.175
  134   HH11  ARG  17          1HH1      ARG  17  -1.581   3.402  -0.992
  135   HH12  ARG  17          2HH1      ARG  17  -1.255   4.866  -1.781
  136   HH21  ARG  17          1HH2      ARG  17  -4.447   6.307  -1.278
  137   HH22  ARG  17          2HH2      ARG  17  -2.923   6.551  -1.952
  138    H    ARG  18           H        ARG  18  -9.455   2.375   0.606
  139    HA   ARG  18           HA       ARG  18 -11.341   2.224  -0.641
  140    HB2  ARG  18           2HB      ARG  18  -9.762   2.412  -2.548
  141    HB3  ARG  18           1HB      ARG  18  -9.574   0.669  -2.488
  142    HG2  ARG  18           2HG      ARG  18 -11.972   0.453  -3.137
  143    HG3  ARG  18           1HG      ARG  18 -12.019   2.207  -3.347
  144    HD2  ARG  18           2HD      ARG  18 -10.285   2.089  -5.030
  145    HD3  ARG  18           1HD      ARG  18 -10.119   0.353  -4.766
  146    HE   ARG  18           HE       ARG  18 -12.759   1.054  -5.454
  147   HH11  ARG  18          1HH1      ARG  18  -9.558   0.462  -6.859
  148   HH12  ARG  18          2HH1      ARG  18 -10.179   0.122  -8.415
  149   HH21  ARG  18          1HH2      ARG  18 -13.569   0.536  -7.625
  150   HH22  ARG  18          2HH2      ARG  18 -12.433   0.132  -8.832