*HEADER    UNKNOWN FUNCTION                        27-APR-17   5XIV              
*TITLE     BETA-GINKGOTIDES: HYPERDISULFIDE-CONSTRAINED PEPTIDES FROM GINKGO     
*TITLE    2 BILOBA                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA-GINKGOTIDE, BETA-GB1;                                 
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GINKGO BILOBA;                                  
*SOURCE   3 ORGANISM_TAXID: 3311                                                 
*KEYWDS    GINKGO BILOBA, CYSTEINE-RICH PEPTIDES, HERBAL MEDICINE, CYSTINE KNOT  
*KEYWDS   2 PEPTIDES, UNKNOWN FUNCTION                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.H.WONG,W.L.TAN,T.XIAO,J.P.TAM                                       
*REVDAT   1   31-MAY-17 5XIV    0                                                
# Restraints file 1: bl1_noe.txt
assign (resid 2 and name HG#) (resid 2 and name HN) 5 3.4 1
assign (resid 17 and name HA) (resid 2 and name HN) 5 3.4 0
assign (resid 16 and name HB#) (resid 2 and name HN) 5 1.8 1
assign (resid 1 and name HD#) (resid 2 and name HN) 3.4 1.8 1
assign (resid 2 and name HB#) (resid 2 and name HN) 3.4 1.8 0.6
assign (resid 2 and name HA) (resid 2 and name HN) 3.4 1.8 0
assign (resid 1 and name HB#) (resid 2 and name HN) 3.4 1.8 1
assign (resid 1 and name HA) (resid 2 and name HN) 3.4 1.8 0
assign (resid 2 and name HB#) (resid 3 and name HN) 3.4 1.8 1
assign (resid 2 and name HA) (resid 3 and name HN) 3.4 1.8 0
assign (resid 3 and name HG#) (resid 4 and name HN) 3.4 1.8 1
assign (resid 3 and name HB) (resid 4 and name HN) 3.4 1.8 0
assign (resid 5 and name HN) (resid 4 and name HN) 5 3.4 0
assign (resid 3 and name HA) (resid 4 and name HN) 3.4 1.8 0
assign (resid 4 and name HA#) (resid 4 and name HN) 3.4 1.8 0.6
assign (resid 19 and name HN) (resid 5 and name HN) 5 3.4 0
assign (resid 3 and name HA) (resid 5 and name HN) 5 3.4 0
assign (resid 4 and name HA#) (resid 5 and name HN) 3.4 1.8 1
assign (resid 5 and name HB#) (resid 5 and name HN) 3.4 1.8 0.6
assign (resid 5 and name HA) (resid 5 and name HN) 3.4 1.8 0
assign (resid 2 and name HG#) (resid 6 and name HN) 5 3.4 1
assign (resid 6 and name HG#) (resid 6 and name HN) 3.4 1.8 1
assign (resid 6 and name HA) (resid 6 and name HN) 3.4 1.8 0
assign (resid 5 and name HB#) (resid 6 and name HN) 3.4 1.8 1
assign (resid 6 and name HB#) (resid 6 and name HN) 3.4 1.8 0.6
assign (resid 5 and name HA) (resid 6 and name HN) 3.4 1.8 0
assign (resid 6 and name HA) (resid 7 and name HN) 3.4 1.8 0
assign (resid 5 and name HB#) (resid 7 and name HN) 5 3.4 1
assign (resid 20 and name HN) (resid 7 and name HN) 5 3.4 0
assign (resid 7 and name HA) (resid 7 and name HN) 3.4 1.8 0
assign (resid 6 and name HB#) (resid 7 and name HN) 3.4 1.8 1
assign (resid 19 and name HA) (resid 7 and name HN) 5 3.4 0
assign (resid 19 and name HN) (resid 7 and name HN) 5 3.4 0
assign (resid 8 and name HA) (resid 8 and name HN) 3.4 1.8 0
assign (resid 7 and name HB#) (resid 8 and name HN) 3.4 1.8 1
assign (resid 7 and name HG#) (resid 8 and name HN) 3.4 1.8 1
assign (resid 8 and name HB#) (resid 8 and name HN) 3.4 1.8 0.6
assign (resid 7 and name HA) (resid 8 and name HN) 3.4 1.8 0
assign (resid 7 and name HN) (resid 8 and name HN) 5 3.4 0
assign (resid 9 and name HN) (resid 8 and name HN) 5 3.4 0
assign (resid 11 and name HD##) (resid 9 and name HN) 5 3.4 2.4
assign (resid 8 and name HB#) (resid 9 and name HN) 3.4 1.8 1
assign (resid 9 and name HB#) (resid 9 and name HN) 3.4 1.8 0.6
assign (resid 8 and name HA) (resid 9 and name HN) 3.4 1.8 0
assign (resid 9 and name HA) (resid 9 and name HN) 3.4 1.8 0
assign (resid 10 and name HN) (resid 9 and name HN) 5 3.4 0
assign (resid 8 and name HA) (resid 10 and name HN) 5 3.4 0
assign (resid 8 and name HB#) (resid 10 and name HN) 5 3.4 1
assign (resid 9 and name HB#) (resid 10 and name HN) 3.4 1.8 1
assign (resid 11 and name HN) (resid 10 and name HN) 5 3.4 0
assign (resid 11 and name HD##) (resid 10 and name HN) 5 3.4 2.4
assign (resid 10 and name HA) (resid 10 and name HN) 3.4 1.8 0
assign (resid 9 and name HA) (resid 10 and name HN) 3.4 1.8 0
assign (resid 10 and name HB#) (resid 10 and name HN) 3.4 1.8 0.6
assign (resid 18 and name HN) (resid 10 and name HN) 5 3.4 0
assign (resid 18 and name HB#) (resid 10 and name HN) 5 3.4 1
assign (resid 17 and name HN) (resid 10 and name HN) 5 3.4 0
assign (resid 17 and name HB) (resid 10 and name HN) 5 3.4 0
assign (resid 17 and name HD#) (resid 11 and name HN) 5 3.4 1
assign (resid 10 and name HD#) (resid 11 and name HN) 5 1.8 1
assign (resid 11 and name HD##) (resid 11 and name HN) 3.4 1.8 1.7
assign (resid 11 and name HA) (resid 11 and name HN) 3.4 1.8 0
assign (resid 11 and name HB#) (resid 11 and name HN) 3.4 1.8 0.6
assign (resid 11 and name HG) (resid 11 and name HN) 3.4 1.8 0
assign (resid 10 and name HB#) (resid 11 and name HN) 5 1.8 1
assign (resid 10 and name HA) (resid 11 and name HN) 3.4 1.8 0
assign (resid 12 and name HB#) (resid 12 and name HN) 3.4 1.8 0.6
assign (resid 12 and name HA) (resid 12 and name HN) 3.4 1.8 0
assign (resid 17 and name HD#) (resid 12 and name HN) 5 3.4 1
assign (resid 17 and name HG1#) (resid 12 and name HN) 5 3.4 1
assign (resid 17 and name HG2#) (resid 12 and name HN) 5 3.4 1
assign (resid 11 and name HB#) (resid 12 and name HN) 5 1.8 1
assign (resid 11 and name HD##) (resid 12 and name HN) 5 1.8 2.4
assign (resid 15 and name HN) (resid 12 and name HN) 5 3.4 0
assign (resid 11 and name HG) (resid 12 and name HN) 5 1.8 0
assign (resid 11 and name HA) (resid 12 and name HN) 3.4 1.8 0
assign (resid 14 and name HN) (resid 12 and name HN) 5 3.4 0
assign (resid 11 and name HD##) (resid 13 and name HN) 5 3.4 2.4
assign (resid 13 and name HB#) (resid 13 and name HN) 3.4 1.8 0.6
assign (resid 14 and name HN) (resid 13 and name HN) 5 3.4 0
assign (resid 13 and name HA) (resid 13 and name HN) 3.4 1.8 0
assign (resid 13 and name HG#) (resid 13 and name HN) 3.4 1.8 1
assign (resid 12 and name HB#) (resid 13 and name HN) 3.4 1.8 1
assign (resid 15 and name HN) (resid 13 and name HN) 5 3.4 0
assign (resid 12 and name HB#) (resid 14 and name HN) 5 3.4 1
assign (resid 13 and name HB#) (resid 14 and name HN) 3.4 1.8 1
assign (resid 13 and name HA) (resid 14 and name HN) 3.4 1.8 0
assign (resid 14 and name HA) (resid 14 and name HN) 3.4 1.8 0
assign (resid 14 and name HB#) (resid 14 and name HN) 3.4 1.8 0.6
assign (resid 13 and name HG#) (resid 14 and name HN) 3.4 1.8 1
assign (resid 14 and name HD#) (resid 14 and name HN) 3.4 1.8 1
assign (resid 15 and name HN) (resid 14 and name HN) 5 3.4 0
assign (resid 11 and name HD##) (resid 15 and name HN) 5 3.4 2.4
assign (resid 14 and name HD#) (resid 15 and name HN) 5 1.8 1
assign (resid 13 and name HA) (resid 15 and name HN) 5 3.4 0
assign (resid 14 and name HB#) (resid 15 and name HN) 3.4 1.8 1
assign (resid 14 and name HA) (resid 15 and name HN) 3.4 1.8 0
assign (resid 15 and name HA#) (resid 15 and name HN) 3.4 1.8 0.6
assign (resid 1 and name HB#) (resid 16 and name HN) 5 3.4 1
assign (resid 1 and name HD#) (resid 16 and name HN) 5 3.4 1
assign (resid 16 and name HA) (resid 16 and name HN) 3.4 1.8 0
assign (resid 15 and name HA#) (resid 16 and name HN) 3.4 1.8 1
assign (resid 16 and name HB#) (resid 16 and name HN) 3.4 1.8 0.6
assign (resid 15 and name HN) (resid 16 and name HN) 5 3.4 0
assign (resid 11 and name HD##) (resid 17 and name HN) 5 3.4 2.4
assign (resid 12 and name HN) (resid 17 and name HN) 5 3.4 0
assign (resid 17 and name HD#) (resid 17 and name HN) 5 3.4 1
assign (resid 17 and name HG2#) (resid 17 and name HN) 3.4 1.8 1
assign (resid 17 and name HG1#) (resid 17 and name HN) 5 1.8 1
assign (resid 17 and name HA) (resid 17 and name HN) 3.4 1.8 0
assign (resid 17 and name HB) (resid 17 and name HN) 3.4 1.8 0
assign (resid 16 and name HB#) (resid 17 and name HN) 3.4 1.8 1
assign (resid 16 and name HA) (resid 17 and name HN) 3.4 1.8 0
assign (resid 18 and name HN) (resid 17 and name HN) 5 3.4 0
assign (resid 10 and name HB#) (resid 18 and name HN) 5 1.8 1
assign (resid 17 and name HA) (resid 18 and name HN) 3.4 1.8 0
assign (resid 18 and name HB#) (resid 18 and name HN) 3.4 1.8 0.6
assign (resid 18 and name HA) (resid 18 and name HN) 3.4 1.8 0
assign (resid 18 and name HG#) (resid 19 and name HN) 5 1.8 1
assign (resid 18 and name HB#) (resid 19 and name HN) 3.4 1.8 1
assign (resid 19 and name HB#) (resid 19 and name HN) 3.4 1.8 0.6
assign (resid 19 and name HA) (resid 19 and name HN) 3.4 1.8 0
assign (resid 18 and name HA) (resid 19 and name HN) 3.4 1.8 0
assign (resid 5 and name HA) (resid 20 and name HN) 5 3.4 0
assign (resid 7 and name HG#) (resid 20 and name HN) 5 3.4 1
assign (resid 20 and name HB#) (resid 20 and name HN) 3.4 1.8 0.6
assign (resid 20 and name HA) (resid 20 and name HN) 3.4 1.8 0
assign (resid 19 and name HB#) (resid 20 and name HN) 3.4 1.8 1
assign (resid 19 and name HA) (resid 20 and name HN) 3.4 1.8 0
assign (resid 15 and name HN) (resid 1 and name HD#) 5 3.4 1
assign (resid 17 and name HD#) (resid 1 and name HD#) 5 1.8 3
assign (resid 15 and name HA#) (resid 1 and name HD#) 5 1.8 3
assign (resid 17 and name HG2#) (resid 1 and name HD#) 5 1.8 3
assign (resid 17 and name HA) (resid 1 and name HA) 5 1.8 0
assign (resid 17 and name HG1#) (resid 1 and name HD#) 5 1.8 3
assign (resid 17 and name HA) (resid 1 and name HD#) 5 1.8 1
assign (resid 1 and name HA) (resid 1 and name HB#) 3.4 1 0.6
assign (resid 1 and name HB) (resid 1 and name HD) 3.4 1 0
assign (resid 1 and name HA) (resid 1 and name HD#) 3.4 1 1
assign (resid 16 and name HB#) (resid 2 and name HB#) 5 1.8 3
assign (resid 3 and name HA) (resid 3 and name HB) 3.4 1 0
assign (resid 3 and name HA) (resid 3 and name HG#) 3.4 1 1
assign (resid 3 and name HB) (resid 3 and name HG#) 3.4 1 1
assign (resid 6 and name HA) (resid 4 and name HA#) 5 3.4 1
assign (resid 19 and name HA) (resid 5 and name HB#) 5 1.8 1
assign (resid 19 and name HA) (resid 5 and name HB#) 5 3.4 1
assign (resid 19 and name HB#) (resid 5 and name HB#) 5 1.8 3
assign (resid 5 and name HA) (resid 5 and name HB#) 3.4 1 0.6
assign (resid 6 and name HA) (resid 6 and name HG#) 3.4 1 1
assign (resid 17 and name HG2#) (resid 6 and name HB#) 5 1.8 3
assign (resid 18 and name HA) (resid 6 and name HB#) 5 1.8 1
assign (resid 8 and name HB#) (resid 7 and name HE#) 5 1.8 3
assign (resid 20 and name HB#) (resid 7 and name HB#) 5 1.8 3
assign (resid 20 and name HB#) (resid 7 and name HG#) 5 1.8 3
assign (resid 7 and name HA) (resid 7 and name HB#) 3.4 1 0.6
assign (resid 7 and name HA) (resid 7 and name HG#) 3.4 1 1
assign (resid 7 and name HA) (resid 8 and name HB#) 5 1.8 1
assign (resid 17 and name HG2#) (resid 8 and name HB#) 5 1.8 3
assign (resid 11 and name HD##) (resid 8 and name HB#) 5 1.8 3.4
assign (resid 19 and name HB#) (resid 8 and name HB#) 5 1.8 3
assign (resid 7 and name HG#) (resid 8 and name HB#) 3.4 1 3
assign (resid 19 and name HB#) (resid 9 and name HB#) 5 1.8 3
assign (resid 1 and name HB#) (resid 9 and name HB#) 5 1.8 3
assign (resid 20 and name HA) (resid 9 and name HB#) 5 3.4 1
assign (resid 9 and name HA) (resid 9 and name HB#) 3.4 1 0.6
assign (resid 17 and name HD#) (resid 10 and name HB#) 5 1.8 3
assign (resid 17 and name HG2#) (resid 10 and name HB#) 5 1.8 3
assign (resid 18 and name HB#) (resid 10 and name HD#) 5 1.8 3
assign (resid 18 and name HB#) (resid 10 and name HB#) 3.4 1 3
assign (resid 17 and name HD#) (resid 10 and name HD#) 3.4 1 3
assign (resid 11 and name HG) (resid 10 and name HD#) 5 3.4 1
assign (resid 17 and name HG2#) (resid 10 and name HD#) 3.4 1 3
assign (resid 10 and name HA) (resid 10 and name HD#) 3.4 1 1
assign (resid 18 and name HB#) (resid 10 and name HB#) 3.4 1 3
assign (resid 10 and name HA) (resid 10 and name HB#) 3.4 1 0.6
assign (resid 17 and name HB) (resid 10 and name HB#) 3.4 1 1
assign (resid 10 and name HB) (resid 10 and name HD) 3.4 1 0
assign (resid 11 and name HG) (resid 10 and name HB#) 5 1.8 1
assign (resid 11 and name HD##) (resid 10 and name HB#) 3.4 1 3.4
assign (resid 11 and name HA) (resid 11 and name HD##) 3.4 1 1.7
assign (resid 11 and name HA) (resid 11 and name HB#) 3.4 1 0.6
assign (resid 11 and name HB#) (resid 11 and name HD##) 3.4 1 0
assign (resid 2 and name HB#) (resid 12 and name HB#) 5 1.8 3
assign (resid 13 and name HA) (resid 13 and name HB#) 3.4 1 0.6
assign (resid 13 and name HG#) (resid 14 and name HD#) 3.4 1 3
assign (resid 14 and name HB) (resid 14 and name HD) 3.4 1 0
assign (resid 14 and name HA) (resid 14 and name HD#) 3.4 1 1
assign (resid 17 and name HA) (resid 17 and name HG#) 3.4 1.8 1
assign (resid 18 and name HB#) (resid 17 and name HG2#) 3.4 1 3
assign (resid 17 and name HD#) (resid 17 and name HA) 3.4 1 1
assign (resid 17 and name HD#) (resid 17 and name HB) 3.4 1 1
assign (resid 17 and name HG2#) (resid 17 and name HB) 3.4 1 1
assign (resid 17 and name HD#) (resid 17 and name HG1#) 3.4 1 0
assign (resid 17 and name HA) (resid 17 and name HG2#) 3.4 1 1
assign (resid 17 and name HD#) (resid 17 and name HG2#) 3.4 1 0
assign (resid 17 and name HG2#) (resid 17 and name HG1#) 3.4 1 0
assign (resid 20 and name HB#) (resid 18 and name HE#) 5 1.8 3
assign (resid 18 and name HA) (resid 18 and name HB#) 3.4 1 0.6
assign (resid 18 and name HA) (resid 19 and name HB#) 5 1.8 1
assign (resid 17 and name HG1#) (resid 19 and name HB#) 5 1.8 3
assign (resid 5 and name HA) (resid 19 and name HB#) 5 1.8 1
assign (resid 17 and name HD#) (resid 19 and name HB#) 5 3.4 3
assign (resid 19 and name HA) (resid 19 and name HB#) 3.4 1 0.6
assign (resid 16 and name HB#) (resid 20 and name HB#) 5 3.4 3
assign (resid 9 and name HB#) (resid 20 and name HB#) 3.4 1 3
assign (resid 20 and name HA) (resid 20 and name HB#) 3.4 1 0.6
# Restraints file 2: bl1angle.txt
assign (resid   2 and name C    ) (resid   3 and name N    )
       (resid   3 and name CA   ) (resid   3 and name C    )    1.0  -160.0   20.0 2
assign (resid   7 and name C    ) (resid   8 and name N    )
       (resid   8 and name CA   ) (resid   8 and name C    )    1.0  -160.0   20.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -160.0   20.0 2
assign (resid   1 and name C    ) (resid   2 and name N    )
       (resid   2 and name CA   ) (resid   2 and name C    )    1.0  -160.0   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -100.0   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  -100.0   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -100.0   20.0 2
assign (resid   6 and name C    ) (resid   7 and name N    )
       (resid   7 and name CA   ) (resid   7 and name C    )    1.0  -100.0   20.0 2
assign (resid   8 and name C    ) (resid   9 and name N    )
       (resid   9 and name CA   ) (resid   9 and name C    )    1.0  -120.0   20.0 2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1           HT1      TYR   1   7.537   2.594  -3.280
    2    H2   TYR   1           HT2      TYR   1   7.441   0.905  -3.300
    3    H3   TYR   1           HT3      TYR   1   7.795   1.715  -1.857
    4    HA   TYR   1           HA       TYR   1   5.266   1.938  -3.370
    5    HB2  TYR   1           HB2      TYR   1   4.341   0.695  -1.290
    6    HB3  TYR   1           HB1      TYR   1   5.221  -0.249  -2.474
    7    HD1  TYR   1           HD1      TYR   1   7.472  -1.112  -1.944
    8    HD2  TYR   1           HD2      TYR   1   5.180   1.011   0.945
    9    HE1  TYR   1           HE1      TYR   1   8.956  -1.939  -0.167
   10    HE2  TYR   1           HE2      TYR   1   6.659   0.190   2.728
   11    HH   TYR   1           HH       TYR   1   8.195  -1.682   3.129
   12    H    GLU   2           HN       GLU   2   4.218   2.074  -0.402
   13    HA   GLU   2           HA       GLU   2   4.963   4.845   0.211
   14    HB2  GLU   2           HB2      GLU   2   2.878   4.701  -1.281
   15    HB3  GLU   2           HB1      GLU   2   2.072   3.935   0.073
   16    HG2  GLU   2           HG2      GLU   2   1.429   6.215   0.053
   17    HG3  GLU   2           HG1      GLU   2   2.523   6.000   1.413
   18    H    THR   3           HN       THR   3   3.733   5.466   2.371
   19    HA   THR   3           HA       THR   3   3.550   3.173   4.181
   20    HB   THR   3           HB       THR   3   4.753   4.691   5.922
   21    HG1  THR   3           HG1      THR   3   5.869   5.689   3.484
   22   HG21  THR   3          HG21      THR   3   6.287   3.323   3.690
   23   HG22  THR   3          HG22      THR   3   5.617   2.535   5.117
   24   HG23  THR   3          HG23      THR   3   6.926   3.704   5.288
   25    H    GLY   4           HN       GLY   4   1.830   3.241   5.319
   26    HA2  GLY   4           HA2      GLY   4   0.618   4.850   6.960
   27    HA3  GLY   4           HA1      GLY   4   0.256   5.717   5.474
   28    H    CYS   5           HN       CYS   5  -0.173   3.544   3.749
   29    HA   CYS   5           HA       CYS   5  -1.848   2.265   2.951
   30    HB2  CYS   5           HB2      CYS   5  -1.367   1.178   5.675
   31    HB3  CYS   5           HB1      CYS   5  -2.822   0.636   4.847
   32    H    LYS   6           HN       LYS   6  -3.372   3.725   2.380
   33    HA   LYS   6           HA       LYS   6  -5.259   4.790   4.262
   34    HB2  LYS   6           HB2      LYS   6  -4.351   5.804   2.010
   35    HB3  LYS   6           HB1      LYS   6  -5.695   4.918   1.307
   36    HG2  LYS   6           HG2      LYS   6  -7.249   6.127   2.766
   37    HG3  LYS   6           HG1      LYS   6  -5.895   7.024   3.454
   38    HD2  LYS   6           HD2      LYS   6  -5.392   7.956   1.248
   39    HD3  LYS   6           HD1      LYS   6  -6.735   7.046   0.554
   40    HE2  LYS   6           HE2      LYS   6  -8.296   8.262   1.999
   41    HE3  LYS   6           HE1      LYS   6  -6.951   9.175   2.681
   42    HZ1  LYS   6           HZ1      LYS   6  -7.796   9.210  -0.167
   43    HZ2  LYS   6           HZ2      LYS   6  -6.507  10.087   0.487
   44    HZ3  LYS   6           HZ3      LYS   6  -8.092  10.432   0.966
   45    H    ARG   7           HN       ARG   7  -5.973   3.057   1.265
   46    HA   ARG   7           HA       ARG   7  -8.013   1.483   2.690
   47    HB2  ARG   7           HB2      ARG   7  -9.025   3.203   1.226
   48    HB3  ARG   7           HB1      ARG   7  -8.157   2.545  -0.152
   49    HG2  ARG   7           HG2      ARG   7  -9.488   0.657  -0.258
   50    HG3  ARG   7           HG1      ARG   7 -10.017   0.811   1.416
   51    HD2  ARG   7           HD2      ARG   7 -11.308   2.817   0.804
   52    HD3  ARG   7           HD1      ARG   7 -10.793   2.623  -0.872
   53    HE   ARG   7           HE       ARG   7 -11.969   0.234  -0.168
   54   HH11  ARG   7          HH11      ARG   7 -13.029   3.578  -0.352
   55   HH12  ARG   7          HH12      ARG   7 -14.674   3.157  -0.694
   56   HH21  ARG   7          HH21      ARG   7 -14.127  -0.291  -0.617
   57   HH22  ARG   7          HH22      ARG   7 -15.294   0.968  -0.845
   58    H    CYS   8           HN       CYS   8  -7.735   0.695  -0.609
   59    HA   CYS   8           HA       CYS   8  -5.586  -1.216  -0.238
   60    HB2  CYS   8           HB2      CYS   8  -7.665  -2.438   0.396
   61    HB3  CYS   8           HB1      CYS   8  -8.284  -2.145  -1.227
   62    H    CYS   9           HN       CYS   9  -4.255  -0.832  -1.821
   63    HA   CYS   9           HA       CYS   9  -5.329  -0.259  -4.487
   64    HB2  CYS   9           HB2      CYS   9  -3.121   1.036  -2.951
   65    HB3  CYS   9           HB1      CYS   9  -3.003   0.965  -4.707
   66    H    TYR  10           HN       TYR  10  -2.487  -1.499  -2.800
   67    HA   TYR  10           HA       TYR  10  -2.222  -3.764  -4.535
   68    HB2  TYR  10           HB2      TYR  10  -0.847  -1.320  -5.241
   69    HB3  TYR  10           HB1      TYR  10   0.311  -2.595  -4.892
   70    HD1  TYR  10           HD1      TYR  10   0.191  -4.740  -6.204
   71    HD2  TYR  10           HD2      TYR  10  -2.085  -1.302  -7.256
   72    HE1  TYR  10           HE1      TYR  10  -0.152  -5.665  -8.458
   73    HE2  TYR  10           HE2      TYR  10  -2.438  -2.219  -9.510
   74    HH   TYR  10           HH       TYR  10  -1.748  -5.441 -10.315
   75    H    LEU  11           HN       LEU  11  -0.026  -4.906  -4.114
   76    HA   LEU  11           HA       LEU  11   0.909  -4.430  -1.369
   77    HB2  LEU  11           HB2      LEU  11   0.400  -7.137  -2.611
   78    HB3  LEU  11           HB1      LEU  11   0.994  -6.838  -0.990
   79    HG   LEU  11           HG       LEU  11  -1.673  -5.776  -1.851
   80   HD11  LEU  11          HD11      LEU  11  -2.700  -7.813  -0.965
   81   HD12  LEU  11          HD12      LEU  11  -1.097  -8.533  -0.797
   82   HD13  LEU  11          HD13      LEU  11  -1.719  -8.125  -2.397
   83   HD21  LEU  11          HD21      LEU  11  -0.703  -4.957   0.243
   84   HD22  LEU  11          HD22      LEU  11  -0.573  -6.615   0.829
   85   HD23  LEU  11          HD23      LEU  11  -2.160  -5.908   0.529
   86    H    ASP  12           HN       ASP  12   2.942  -3.820  -1.502
   87    HA   ASP  12           HA       ASP  12   4.559  -4.575  -3.788
   88    HB2  ASP  12           HB2      ASP  12   4.400  -2.266  -2.562
   89    HB3  ASP  12           HB1      ASP  12   5.640  -2.956  -1.521
   90    H    GLU  13           HN       GLU  13   5.559  -4.510  -0.335
   91    HA   GLU  13           HA       GLU  13   6.918  -7.067  -0.804
   92    HB2  GLU  13           HB2      GLU  13   8.203  -4.716  -0.409
   93    HB3  GLU  13           HB1      GLU  13   8.064  -5.290   1.248
   94    HG2  GLU  13           HG2      GLU  13   9.136  -7.391   0.593
   95    HG3  GLU  13           HG1      GLU  13   9.310  -6.773  -1.049
   96    H    TYR  14           HN       TYR  14   6.140  -5.018   1.967
   97    HA   TYR  14           HA       TYR  14   5.553  -7.308   3.629
   98    HB2  TYR  14           HB2      TYR  14   5.475  -4.333   4.152
   99    HB3  TYR  14           HB1      TYR  14   5.028  -5.533   5.360
  100    HD1  TYR  14           HD1      TYR  14   7.799  -4.069   3.455
  101    HD2  TYR  14           HD2      TYR  14   6.711  -6.910   6.429
  102    HE1  TYR  14           HE1      TYR  14  10.158  -4.273   4.114
  103    HE2  TYR  14           HE2      TYR  14   9.068  -7.121   7.098
  104    HH   TYR  14           HH       TYR  14  11.469  -4.953   6.081
  105    H    GLY  15           HN       GLY  15   3.823  -5.104   1.658
  106    HA2  GLY  15           HA2      GLY  15   1.603  -5.772   0.937
  107    HA3  GLY  15           HA1      GLY  15   1.277  -6.268   2.588
  108    H    CYS  16           HN       CYS  16   2.929  -3.276   1.830
  109    HA   CYS  16           HA       CYS  16   0.474  -1.755   2.312
  110    HB2  CYS  16           HB2      CYS  16   1.858  -2.051   4.451
  111    HB3  CYS  16           HB1      CYS  16   3.044  -0.994   3.692
  112    H    ILE  17           HN       ILE  17   0.201  -0.233   0.915
  113    HA   ILE  17           HA       ILE  17   2.462   1.173  -0.287
  114    HB   ILE  17           HB       ILE  17   1.734  -0.703  -1.798
  115   HG12  ILE  17          HG12      ILE  17   1.276   2.041  -2.999
  116   HG13  ILE  17          HG11      ILE  17   2.856   1.365  -2.650
  117   HG21  ILE  17          HG21      ILE  17  -0.832   0.862  -2.040
  118   HG22  ILE  17          HG22      ILE  17  -0.636  -0.760  -1.375
  119   HG23  ILE  17          HG23      ILE  17  -0.353  -0.470  -3.092
  120   HD11  ILE  17          HD11      ILE  17   2.321   1.131  -5.001
  121   HD12  ILE  17          HD12      ILE  17   0.840   0.264  -4.598
  122   HD13  ILE  17          HD13      ILE  17   2.408  -0.457  -4.238
  123    H    ARG  18           HN       ARG  18   0.413   2.489  -2.117
  124    HA   ARG  18           HA       ARG  18  -0.148   4.798  -0.651
  125    HB2  ARG  18           HB2      ARG  18   0.027   4.416  -3.186
  126    HB3  ARG  18           HB1      ARG  18  -1.646   3.892  -3.105
  127    HG2  ARG  18           HG2      ARG  18  -2.103   6.174  -2.010
  128    HG3  ARG  18           HG1      ARG  18  -0.510   6.626  -2.620
  129    HD2  ARG  18           HD2      ARG  18  -2.146   7.319  -4.224
  130    HD3  ARG  18           HD1      ARG  18  -1.264   5.950  -4.897
  131    HE   ARG  18           HE       ARG  18  -3.362   4.702  -3.855
  132   HH11  ARG  18          HH11      ARG  18  -3.287   7.646  -5.773
  133   HH12  ARG  18          HH12      ARG  18  -4.860   7.383  -6.446
  134   HH21  ARG  18          HH21      ARG  18  -5.422   4.382  -4.749
  135   HH22  ARG  18          HH22      ARG  18  -6.067   5.537  -5.867
  136    H    CYS  19           HN       CYS  19  -1.804   1.814  -0.749
  137    HA   CYS  19           HA       CYS  19  -3.970   2.828   0.878
  138    HB2  CYS  19           HB2      CYS  19  -4.734   1.107  -1.460
  139    HB3  CYS  19           HB1      CYS  19  -5.754   2.150  -0.480
  140    H    CYS  20           HN       CYS  20  -3.859  -0.241  -0.861
  141    HA   CYS  20           HA       CYS  20  -4.205  -1.839   1.412
  142    HB2  CYS  20           HB2      CYS  20  -4.134  -2.312  -1.348
  143    HB3  CYS  20           HB1      CYS  20  -2.849  -3.309  -0.684
  Start of MODEL    2
    1    H1   TYR   1           HT1      TYR   1   7.657   1.013  -2.419
    2    H2   TYR   1           HT2      TYR   1   7.689   1.784  -0.915
    3    H3   TYR   1           HT3      TYR   1   7.768   2.699  -2.335
    4    HA   TYR   1           HA       TYR   1   5.566   2.079  -2.950
    5    HB2  TYR   1           HB2      TYR   1   4.232   0.903  -0.972
    6    HB3  TYR   1           HB1      TYR   1   5.088  -0.053  -2.167
    7    HD1  TYR   1           HD1      TYR   1   7.271  -1.105  -1.551
    8    HD2  TYR   1           HD2      TYR   1   4.860   0.884   1.337
    9    HE1  TYR   1           HE1      TYR   1   8.527  -2.207   0.250
   10    HE2  TYR   1           HE2      TYR   1   6.112  -0.212   3.143
   11    HH   TYR   1           HH       TYR   1   9.037  -1.846   2.628
   12    H    GLU   2           HN       GLU   2   4.552   2.075   0.292
   13    HA   GLU   2           HA       GLU   2   4.762   4.981   0.583
   14    HB2  GLU   2           HB2      GLU   2   2.518   4.017  -0.506
   15    HB3  GLU   2           HB1      GLU   2   2.112   3.729   1.179
   16    HG2  GLU   2           HG2      GLU   2   1.185   5.806   0.768
   17    HG3  GLU   2           HG1      GLU   2   2.724   6.210   1.522
   18    H    THR   3           HN       THR   3   3.175   5.266   2.850
   19    HA   THR   3           HA       THR   3   4.199   3.370   4.831
   20    HB   THR   3           HB       THR   3   4.594   5.471   6.320
   21    HG1  THR   3           HG1      THR   3   5.381   6.709   3.929
   22   HG21  THR   3          HG21      THR   3   6.953   5.567   5.591
   23   HG22  THR   3          HG22      THR   3   6.522   4.729   4.100
   24   HG23  THR   3          HG23      THR   3   6.368   3.903   5.651
   25    H    GLY   4           HN       GLY   4   2.039   5.970   4.018
   26    HA2  GLY   4           HA2      GLY   4   0.473   6.025   6.367
   27    HA3  GLY   4           HA1      GLY   4  -0.010   6.646   4.801
   28    H    CYS   5           HN       CYS   5  -0.229   4.454   3.215
   29    HA   CYS   5           HA       CYS   5  -1.685   2.834   2.587
   30    HB2  CYS   5           HB2      CYS   5  -1.355   1.843   5.433
   31    HB3  CYS   5           HB1      CYS   5  -1.986   0.907   4.083
   32    H    LYS   6           HN       LYS   6  -3.559   3.784   2.103
   33    HA   LYS   6           HA       LYS   6  -5.384   4.758   4.098
   34    HB2  LYS   6           HB2      LYS   6  -4.887   5.641   1.669
   35    HB3  LYS   6           HB1      LYS   6  -6.138   4.493   1.218
   36    HG2  LYS   6           HG2      LYS   6  -7.709   5.608   2.723
   37    HG3  LYS   6           HG1      LYS   6  -6.452   6.758   3.182
   38    HD2  LYS   6           HD2      LYS   6  -6.308   7.522   0.859
   39    HD3  LYS   6           HD1      LYS   6  -7.568   6.374   0.404
   40    HE2  LYS   6           HE2      LYS   6  -9.137   7.505   1.903
   41    HE3  LYS   6           HE1      LYS   6  -7.877   8.649   2.359
   42    HZ1  LYS   6           HZ1      LYS   6  -9.347   9.575   0.684
   43    HZ2  LYS   6           HZ2      LYS   6  -8.990   8.304  -0.373
   44    HZ3  LYS   6           HZ3      LYS   6  -7.781   9.403   0.065
   45    H    ARG   7           HN       ARG   7  -6.300   2.742   1.351
   46    HA   ARG   7           HA       ARG   7  -7.773   0.980   3.187
   47    HB2  ARG   7           HB2      ARG   7  -9.269   0.558   1.064
   48    HB3  ARG   7           HB1      ARG   7  -9.548   1.977   2.056
   49    HG2  ARG   7           HG2      ARG   7  -8.256   3.325   0.442
   50    HG3  ARG   7           HG1      ARG   7  -8.057   1.891  -0.565
   51    HD2  ARG   7           HD2      ARG   7 -10.490   1.717  -0.788
   52    HD3  ARG   7           HD1      ARG   7 -10.681   3.157   0.209
   53    HE   ARG   7           HE       ARG   7  -9.024   3.860  -1.897
   54   HH11  ARG   7          HH11      ARG   7 -12.342   2.769  -1.527
   55   HH12  ARG   7          HH12      ARG   7 -12.894   3.593  -2.946
   56   HH21  ARG   7          HH21      ARG   7  -9.768   4.930  -3.753
   57   HH22  ARG   7          HH22      ARG   7 -11.437   4.816  -4.204
   58    H    CYS   8           HN       CYS   8  -7.327   0.481  -0.263
   59    HA   CYS   8           HA       CYS   8  -5.039  -1.141  -0.067
   60    HB2  CYS   8           HB2      CYS   8  -7.624  -2.543   0.154
   61    HB3  CYS   8           HB1      CYS   8  -6.465  -3.236  -0.980
   62    H    CYS   9           HN       CYS   9  -4.010  -0.860  -1.788
   63    HA   CYS   9           HA       CYS   9  -5.438  -0.456  -4.314
   64    HB2  CYS   9           HB2      CYS   9  -3.129   0.923  -3.055
   65    HB3  CYS   9           HB1      CYS   9  -3.080   0.722  -4.804
   66    H    TYR  10           HN       TYR  10  -2.343  -1.545  -3.021
   67    HA   TYR  10           HA       TYR  10  -2.308  -3.898  -4.693
   68    HB2  TYR  10           HB2      TYR  10  -0.929  -1.474  -5.496
   69    HB3  TYR  10           HB1      TYR  10   0.202  -2.802  -5.271
   70    HD1  TYR  10           HD1      TYR  10  -2.516  -1.474  -7.298
   71    HD2  TYR  10           HD2      TYR  10   0.033  -4.822  -6.672
   72    HE1  TYR  10           HE1      TYR  10  -3.123  -2.344  -9.517
   73    HE2  TYR  10           HE2      TYR  10  -0.566  -5.701  -8.889
   74    HH   TYR  10           HH       TYR  10  -2.191  -3.853 -11.222
   75    H    LEU  11           HN       LEU  11  -0.073  -5.063  -4.392
   76    HA   LEU  11           HA       LEU  11   0.861  -4.650  -1.629
   77    HB2  LEU  11           HB2      LEU  11   0.663  -7.297  -3.071
   78    HB3  LEU  11           HB1      LEU  11   1.091  -7.042  -1.391
   79    HG   LEU  11           HG       LEU  11  -1.585  -6.149  -2.387
   80   HD11  LEU  11          HD11      LEU  11  -0.867  -8.953  -1.567
   81   HD12  LEU  11          HD12      LEU  11  -1.391  -8.424  -3.167
   82   HD13  LEU  11          HD13      LEU  11  -2.504  -8.340  -1.801
   83   HD21  LEU  11          HD21      LEU  11  -0.826  -5.495  -0.142
   84   HD22  LEU  11          HD22      LEU  11  -0.649  -7.198   0.281
   85   HD23  LEU  11          HD23      LEU  11  -2.244  -6.543  -0.090
   86    H    ASP  12           HN       ASP  12   2.853  -3.911  -1.631
   87    HA   ASP  12           HA       ASP  12   4.589  -4.369  -3.914
   88    HB2  ASP  12           HB2      ASP  12   4.223  -2.146  -2.596
   89    HB3  ASP  12           HB1      ASP  12   5.424  -2.811  -1.494
   90    H    GLU  13           HN       GLU  13   5.370  -4.500  -0.398
   91    HA   GLU  13           HA       GLU  13   6.986  -6.878  -0.974
   92    HB2  GLU  13           HB2      GLU  13   8.013  -4.478  -0.268
   93    HB3  GLU  13           HB1      GLU  13   7.799  -5.212   1.315
   94    HG2  GLU  13           HG2      GLU  13   9.105  -7.149   0.567
   95    HG3  GLU  13           HG1      GLU  13   9.359  -6.354  -0.985
   96    H    TYR  14           HN       TYR  14   5.796  -5.189   1.896
   97    HA   TYR  14           HA       TYR  14   5.275  -7.712   3.238
   98    HB2  TYR  14           HB2      TYR  14   5.089  -4.844   4.162
   99    HB3  TYR  14           HB1      TYR  14   4.644  -6.214   5.173
  100    HD1  TYR  14           HD1      TYR  14   6.345  -7.702   6.071
  101    HD2  TYR  14           HD2      TYR  14   7.414  -4.388   3.626
  102    HE1  TYR  14           HE1      TYR  14   8.686  -7.934   6.790
  103    HE2  TYR  14           HE2      TYR  14   9.758  -4.612   4.336
  104    HH   TYR  14           HH       TYR  14  11.029  -5.549   6.219
  105    H    GLY  15           HN       GLY  15   3.547  -5.317   1.504
  106    HA2  GLY  15           HA2      GLY  15   1.352  -6.058   0.662
  107    HA3  GLY  15           HA1      GLY  15   0.989  -6.557   2.303
  108    H    CYS  16           HN       CYS  16   2.700  -3.590   1.797
  109    HA   CYS  16           HA       CYS  16   0.226  -2.049   2.169
  110    HB2  CYS  16           HB2      CYS  16   2.127  -2.414   4.160
  111    HB3  CYS  16           HB1      CYS  16   2.535  -0.842   3.482
  112    H    ILE  17           HN       ILE  17  -0.005  -0.462   0.791
  113    HA   ILE  17           HA       ILE  17   2.319   0.838  -0.392
  114    HB   ILE  17           HB       ILE  17   1.454  -1.030  -1.888
  115   HG12  ILE  17          HG12      ILE  17   1.466   1.768  -3.059
  116   HG13  ILE  17          HG11      ILE  17   2.892   0.814  -2.694
  117   HG21  ILE  17          HG21      ILE  17  -0.931  -0.766  -1.574
  118   HG22  ILE  17          HG22      ILE  17  -0.522  -0.580  -3.279
  119   HG23  ILE  17          HG23      ILE  17  -0.876   0.842  -2.298
  120   HD11  ILE  17          HD11      ILE  17   0.780   0.123  -4.730
  121   HD12  ILE  17          HD12      ILE  17   2.215  -0.837  -4.368
  122   HD13  ILE  17          HD13      ILE  17   2.385   0.772  -5.070
  123    H    ARG  18           HN       ARG  18   0.488   2.290  -2.251
  124    HA   ARG  18           HA       ARG  18   0.019   4.637  -0.857
  125    HB2  ARG  18           HB2      ARG  18   0.198   4.153  -3.376
  126    HB3  ARG  18           HB1      ARG  18  -1.515   3.774  -3.301
  127    HG2  ARG  18           HG2      ARG  18  -1.770   6.127  -2.267
  128    HG3  ARG  18           HG1      ARG  18  -0.153   6.417  -2.910
  129    HD2  ARG  18           HD2      ARG  18  -1.759   7.186  -4.518
  130    HD3  ARG  18           HD1      ARG  18  -0.986   5.735  -5.152
  131    HE   ARG  18           HE       ARG  18  -3.152   4.672  -4.056
  132   HH11  ARG  18          HH11      ARG  18  -2.902   7.558  -6.046
  133   HH12  ARG  18          HH12      ARG  18  -4.501   7.392  -6.689
  134   HH21  ARG  18          HH21      ARG  18  -5.243   4.479  -4.911
  135   HH22  ARG  18          HH22      ARG  18  -5.825   5.650  -6.046
  136    H    CYS  19           HN       CYS  19  -1.845   1.783  -0.775
  137    HA   CYS  19           HA       CYS  19  -3.993   3.125   0.642
  138    HB2  CYS  19           HB2      CYS  19  -4.675   1.116  -1.488
  139    HB3  CYS  19           HB1      CYS  19  -5.755   2.219  -0.648
  140    H    CYS  20           HN       CYS  20  -2.895  -0.023  -0.529
  141    HA   CYS  20           HA       CYS  20  -4.069  -1.493   1.630
  142    HB2  CYS  20           HB2      CYS  20  -3.283  -2.161  -0.879
  143    HB3  CYS  20           HB1      CYS  20  -1.928  -2.775   0.052
  Start of MODEL    3
    1    H1   TYR   1           HT1      TYR   1   7.485   0.927  -2.797
    2    H2   TYR   1           HT2      TYR   1   7.713   1.749  -1.337
    3    H3   TYR   1           HT3      TYR   1   7.563   2.617  -2.780
    4    HA   TYR   1           HA       TYR   1   5.314   1.933  -3.052
    5    HB2  TYR   1           HB2      TYR   1   4.292   0.763  -0.905
    6    HB3  TYR   1           HB1      TYR   1   5.053  -0.197  -2.157
    7    HD1  TYR   1           HD1      TYR   1   5.220   0.915   1.306
    8    HD2  TYR   1           HD2      TYR   1   7.295  -1.180  -1.763
    9    HE1  TYR   1           HE1      TYR   1   6.717  -0.061   2.992
   10    HE2  TYR   1           HE2      TYR   1   8.796  -2.162  -0.083
   11    HH   TYR   1           HH       TYR   1   9.594  -1.669   2.190
   12    H    GLU   2           HN       GLU   2   4.511   2.017   0.183
   13    HA   GLU   2           HA       GLU   2   4.871   4.909   0.470
   14    HB2  GLU   2           HB2      GLU   2   2.565   4.066  -0.574
   15    HB3  GLU   2           HB1      GLU   2   2.177   3.771   1.112
   16    HG2  GLU   2           HG2      GLU   2   1.319   5.889   0.688
   17    HG3  GLU   2           HG1      GLU   2   2.845   6.207   1.510
   18    H    THR   3           HN       THR   3   3.266   5.198   2.776
   19    HA   THR   3           HA       THR   3   4.331   3.293   4.726
   20    HB   THR   3           HB       THR   3   4.729   5.382   6.229
   21    HG1  THR   3           HG1      THR   3   5.478   6.656   3.846
   22   HG21  THR   3          HG21      THR   3   6.509   3.841   5.523
   23   HG22  THR   3          HG22      THR   3   7.077   5.509   5.463
   24   HG23  THR   3          HG23      THR   3   6.632   4.675   3.974
   25    H    GLY   4           HN       GLY   4   2.143   5.892   3.967
   26    HA2  GLY   4           HA2      GLY   4   0.595   5.860   6.341
   27    HA3  GLY   4           HA1      GLY   4   0.108   6.555   4.806
   28    H    CYS   5           HN       CYS   5  -0.127   4.464   3.113
   29    HA   CYS   5           HA       CYS   5  -1.588   2.887   2.400
   30    HB2  CYS   5           HB2      CYS   5  -1.120   1.708   5.153
   31    HB3  CYS   5           HB1      CYS   5  -1.830   0.855   3.785
   32    H    LYS   6           HN       LYS   6  -3.463   3.865   2.032
   33    HA   LYS   6           HA       LYS   6  -5.270   4.668   4.107
   34    HB2  LYS   6           HB2      LYS   6  -4.836   5.679   1.715
   35    HB3  LYS   6           HB1      LYS   6  -6.090   4.544   1.240
   36    HG2  LYS   6           HG2      LYS   6  -7.627   5.565   2.847
   37    HG3  LYS   6           HG1      LYS   6  -6.367   6.705   3.324
   38    HD2  LYS   6           HD2      LYS   6  -6.303   7.586   1.041
   39    HD3  LYS   6           HD1      LYS   6  -7.560   6.444   0.563
   40    HE2  LYS   6           HE2      LYS   6  -9.100   7.474   2.162
   41    HE3  LYS   6           HE1      LYS   6  -7.843   8.615   2.638
   42    HZ1  LYS   6           HZ1      LYS   6  -7.827   9.482   0.383
   43    HZ2  LYS   6           HZ2      LYS   6  -9.375   9.598   1.053
   44    HZ3  LYS   6           HZ3      LYS   6  -9.031   8.385  -0.075
   45    H    ARG   7           HN       ARG   7  -6.279   2.815   1.282
   46    HA   ARG   7           HA       ARG   7  -7.715   0.967   3.063
   47    HB2  ARG   7           HB2      ARG   7  -9.249   2.424   1.836
   48    HB3  ARG   7           HB1      ARG   7  -8.514   1.957   0.311
   49    HG2  ARG   7           HG2      ARG   7  -9.472  -0.156   0.347
   50    HG3  ARG   7           HG1      ARG   7  -9.765  -0.102   2.085
   51    HD2  ARG   7           HD2      ARG   7 -11.151   1.728   0.135
   52    HD3  ARG   7           HD1      ARG   7 -11.800   0.153   0.589
   53    HE   ARG   7           HE       ARG   7 -11.241   1.618   2.921
   54   HH11  ARG   7          HH11      ARG   7 -13.521   1.657   0.250
   55   HH12  ARG   7          HH12      ARG   7 -14.773   2.413   1.179
   56   HH21  ARG   7          HH21      ARG   7 -12.893   2.607   4.117
   57   HH22  ARG   7          HH22      ARG   7 -14.415   2.950   3.366
   58    H    CYS   8           HN       CYS   8  -7.709   0.315  -0.330
   59    HA   CYS   8           HA       CYS   8  -5.431  -1.473  -0.143
   60    HB2  CYS   8           HB2      CYS   8  -7.478  -2.797   0.499
   61    HB3  CYS   8           HB1      CYS   8  -8.071  -2.536  -1.141
   62    H    CYS   9           HN       CYS   9  -4.183  -0.954  -1.740
   63    HA   CYS   9           HA       CYS   9  -5.364  -0.330  -4.349
   64    HB2  CYS   9           HB2      CYS   9  -3.189   1.011  -2.813
   65    HB3  CYS   9           HB1      CYS   9  -3.056   0.966  -4.568
   66    H    TYR  10           HN       TYR  10  -2.422  -1.495  -2.792
   67    HA   TYR  10           HA       TYR  10  -2.149  -3.702  -4.599
   68    HB2  TYR  10           HB2      TYR  10  -0.938  -1.228  -5.342
   69    HB3  TYR  10           HB1      TYR  10   0.346  -2.348  -4.903
   70    HD1  TYR  10           HD1      TYR  10   0.703  -4.386  -6.182
   71    HD2  TYR  10           HD2      TYR  10  -2.325  -1.607  -7.266
   72    HE1  TYR  10           HE1      TYR  10   0.519  -5.462  -8.391
   73    HE2  TYR  10           HE2      TYR  10  -2.523  -2.672  -9.479
   74    HH   TYR  10           HH       TYR  10  -1.155  -4.055 -10.985
   75    H    LEU  11           HN       LEU  11   0.068  -4.808  -4.242
   76    HA   LEU  11           HA       LEU  11   1.000  -4.446  -1.479
   77    HB2  LEU  11           HB2      LEU  11   0.502  -7.110  -2.816
   78    HB3  LEU  11           HB1      LEU  11   1.088  -6.864  -1.181
   79    HG   LEU  11           HG       LEU  11  -1.276  -5.448  -1.204
   80   HD11  LEU  11          HD11      LEU  11  -1.673  -7.984  -2.771
   81   HD12  LEU  11          HD12      LEU  11  -1.861  -6.338  -3.379
   82   HD13  LEU  11          HD13      LEU  11  -2.949  -6.948  -2.133
   83   HD21  LEU  11          HD21      LEU  11  -0.696  -6.735   0.665
   84   HD22  LEU  11          HD22      LEU  11  -0.569  -8.216  -0.282
   85   HD23  LEU  11          HD23      LEU  11  -2.151  -7.502   0.031
   86    H    ASP  12           HN       ASP  12   2.998  -3.710  -1.698
   87    HA   ASP  12           HA       ASP  12   4.624  -4.505  -3.972
   88    HB2  ASP  12           HB2      ASP  12   4.390  -2.136  -2.993
   89    HB3  ASP  12           HB1      ASP  12   5.530  -2.677  -1.767
   90    H    GLU  13           HN       GLU  13   5.204  -4.494  -0.414
   91    HA   GLU  13           HA       GLU  13   7.037  -6.745  -0.840
   92    HB2  GLU  13           HB2      GLU  13   7.821  -4.296  -0.018
   93    HB3  GLU  13           HB1      GLU  13   7.486  -5.053   1.534
   94    HG2  GLU  13           HG2      GLU  13   8.988  -6.896   0.932
   95    HG3  GLU  13           HG1      GLU  13   9.355  -6.076  -0.585
   96    H    TYR  14           HN       TYR  14   5.781  -5.276   2.105
   97    HA   TYR  14           HA       TYR  14   5.043  -7.886   3.142
   98    HB2  TYR  14           HB2      TYR  14   5.059  -5.132   4.381
   99    HB3  TYR  14           HB1      TYR  14   4.489  -6.565   5.228
  100    HD1  TYR  14           HD1      TYR  14   6.049  -8.275   5.973
  101    HD2  TYR  14           HD2      TYR  14   7.424  -4.808   3.926
  102    HE1  TYR  14           HE1      TYR  14   8.350  -8.772   6.688
  103    HE2  TYR  14           HE2      TYR  14   9.728  -5.296   4.634
  104    HH   TYR  14           HH       TYR  14  10.884  -6.534   6.416
  105    H    GLY  15           HN       GLY  15   3.541  -5.206   1.637
  106    HA2  GLY  15           HA2      GLY  15   1.311  -5.678   0.703
  107    HA3  GLY  15           HA1      GLY  15   0.878  -6.320   2.280
  108    H    CYS  16           HN       CYS  16   2.730  -3.384   1.673
  109    HA   CYS  16           HA       CYS  16   0.428  -1.751   2.455
  110    HB2  CYS  16           HB2      CYS  16   2.269  -2.375   4.326
  111    HB3  CYS  16           HB1      CYS  16   3.035  -0.951   3.629
  112    H    ILE  17           HN       ILE  17   0.113  -0.380   0.899
  113    HA   ILE  17           HA       ILE  17   2.349   1.164  -0.200
  114    HB   ILE  17           HB       ILE  17   1.690  -0.754  -1.730
  115   HG12  ILE  17          HG12      ILE  17   1.427   2.056  -2.839
  116   HG13  ILE  17          HG11      ILE  17   2.933   1.212  -2.535
  117   HG21  ILE  17          HG21      ILE  17  -0.327  -0.502  -3.119
  118   HG22  ILE  17          HG22      ILE  17  -0.827   0.867  -2.125
  119   HG23  ILE  17          HG23      ILE  17  -0.715  -0.744  -1.415
  120   HD11  ILE  17          HD11      ILE  17   2.384   1.203  -4.897
  121   HD12  ILE  17          HD12      ILE  17   0.838   0.427  -4.552
  122   HD13  ILE  17          HD13      ILE  17   2.347  -0.436  -4.250
  123    H    ARG  18           HN       ARG  18   0.444   2.495  -2.085
  124    HA   ARG  18           HA       ARG  18  -0.277   4.768  -0.720
  125    HB2  ARG  18           HB2      ARG  18  -1.020   3.494  -3.294
  126    HB3  ARG  18           HB1      ARG  18  -2.072   4.784  -2.735
  127    HG2  ARG  18           HG2      ARG  18  -0.543   5.862  -4.120
  128    HG3  ARG  18           HG1      ARG  18   0.071   6.178  -2.500
  129    HD2  ARG  18           HD2      ARG  18   1.893   5.590  -3.994
  130    HD3  ARG  18           HD1      ARG  18   1.688   4.343  -2.767
  131    HE   ARG  18           HE       ARG  18   0.348   3.180  -4.642
  132   HH11  ARG  18          HH11      ARG  18   3.211   5.143  -5.179
  133   HH12  ARG  18          HH12      ARG  18   3.664   4.293  -6.618
  134   HH21  ARG  18          HH21      ARG  18   0.959   2.085  -6.530
  135   HH22  ARG  18          HH22      ARG  18   2.389   2.563  -7.381
  136    H    CYS  19           HN       CYS  19  -1.894   1.750  -0.774
  137    HA   CYS  19           HA       CYS  19  -4.003   2.735   0.955
  138    HB2  CYS  19           HB2      CYS  19  -4.748   0.964  -1.356
  139    HB3  CYS  19           HB1      CYS  19  -5.807   1.895  -0.308
  140    H    CYS  20           HN       CYS  20  -3.788  -0.362  -0.726
  141    HA   CYS  20           HA       CYS  20  -4.037  -1.943   1.558
  142    HB2  CYS  20           HB2      CYS  20  -3.902  -2.449  -1.200
  143    HB3  CYS  20           HB1      CYS  20  -2.578  -3.367  -0.500
  Start of MODEL    4
    1    H1   TYR   1           HT1      TYR   1   7.598   1.772  -1.588
    2    H2   TYR   1           HT2      TYR   1   7.290   2.631  -3.012
    3    H3   TYR   1           HT3      TYR   1   7.244   0.939  -3.019
    4    HA   TYR   1           HA       TYR   1   5.039   1.903  -3.059
    5    HB2  TYR   1           HB2      TYR   1   4.215   0.688  -0.893
    6    HB3  TYR   1           HB1      TYR   1   5.000  -0.259  -2.143
    7    HD1  TYR   1           HD1      TYR   1   7.328  -1.063  -1.790
    8    HD2  TYR   1           HD2      TYR   1   5.170   0.926   1.288
    9    HE1  TYR   1           HE1      TYR   1   8.932  -1.906  -0.130
   10    HE2  TYR   1           HE2      TYR   1   6.769   0.091   2.957
   11    HH   TYR   1           HH       TYR   1   9.738  -1.318   2.117
   12    H    GLU   2           HN       GLU   2   4.348   2.001   0.142
   13    HA   GLU   2           HA       GLU   2   4.829   4.873   0.485
   14    HB2  GLU   2           HB2      GLU   2   2.492   4.158  -0.568
   15    HB3  GLU   2           HB1      GLU   2   2.093   3.816   1.106
   16    HG2  GLU   2           HG2      GLU   2   1.305   5.977   0.736
   17    HG3  GLU   2           HG1      GLU   2   2.822   6.208   1.599
   18    H    THR   3           HN       THR   3   3.200   5.140   2.812
   19    HA   THR   3           HA       THR   3   4.251   3.173   4.707
   20    HB   THR   3           HB       THR   3   4.682   5.212   6.267
   21    HG1  THR   3           HG1      THR   3   5.435   6.556   3.929
   22   HG21  THR   3          HG21      THR   3   6.442   3.676   5.499
   23   HG22  THR   3          HG22      THR   3   7.025   5.341   5.489
   24   HG23  THR   3          HG23      THR   3   6.561   4.560   3.978
   25    H    GLY   4           HN       GLY   4   2.090   5.823   4.043
   26    HA2  GLY   4           HA2      GLY   4   0.555   5.724   6.425
   27    HA3  GLY   4           HA1      GLY   4   0.071   6.487   4.921
   28    H    CYS   5           HN       CYS   5  -0.172   4.447   3.155
   29    HA   CYS   5           HA       CYS   5  -1.650   2.918   2.380
   30    HB2  CYS   5           HB2      CYS   5  -1.295   1.617   5.094
   31    HB3  CYS   5           HB1      CYS   5  -1.887   0.832   3.632
   32    H    LYS   6           HN       LYS   6  -3.515   3.927   2.025
   33    HA   LYS   6           HA       LYS   6  -5.319   4.730   4.089
   34    HB2  LYS   6           HB2      LYS   6  -4.895   5.713   1.686
   35    HB3  LYS   6           HB1      LYS   6  -6.157   4.581   1.230
   36    HG2  LYS   6           HG2      LYS   6  -7.680   5.629   2.832
   37    HG3  LYS   6           HG1      LYS   6  -6.408   6.763   3.294
   38    HD2  LYS   6           HD2      LYS   6  -6.347   7.621   0.999
   39    HD3  LYS   6           HD1      LYS   6  -7.619   6.487   0.541
   40    HE2  LYS   6           HE2      LYS   6  -9.137   7.550   2.138
   41    HE3  LYS   6           HE1      LYS   6  -7.865   8.681   2.597
   42    HZ1  LYS   6           HZ1      LYS   6  -7.851   9.525   0.331
   43    HZ2  LYS   6           HZ2      LYS   6  -9.393   9.669   1.011
   44    HZ3  LYS   6           HZ3      LYS   6  -9.074   8.440  -0.106
   45    H    ARG   7           HN       ARG   7  -6.362   2.846   1.294
   46    HA   ARG   7           HA       ARG   7  -7.790   1.039   3.121
   47    HB2  ARG   7           HB2      ARG   7  -9.362   0.697   1.053
   48    HB3  ARG   7           HB1      ARG   7  -9.561   2.120   2.058
   49    HG2  ARG   7           HG2      ARG   7  -8.288   3.437   0.411
   50    HG3  ARG   7           HG1      ARG   7  -8.150   2.003  -0.605
   51    HD2  ARG   7           HD2      ARG   7 -10.591   1.888  -0.767
   52    HD3  ARG   7           HD1      ARG   7 -10.723   3.329   0.241
   53    HE   ARG   7           HE       ARG   7  -9.100   3.986  -1.914
   54   HH11  ARG   7          HH11      ARG   7 -12.444   3.033  -1.422
   55   HH12  ARG   7          HH12      ARG   7 -13.013   3.890  -2.816
   56   HH21  ARG   7          HH21      ARG   7  -9.867   5.101  -3.733
   57   HH22  ARG   7          HH22      ARG   7 -11.554   5.060  -4.122
   58    H    CYS   8           HN       CYS   8  -7.568   0.496  -0.334
   59    HA   CYS   8           HA       CYS   8  -5.348  -1.317  -0.097
   60    HB2  CYS   8           HB2      CYS   8  -7.318  -2.704   0.624
   61    HB3  CYS   8           HB1      CYS   8  -7.980  -2.491  -0.996
   62    H    CYS   9           HN       CYS   9  -4.140  -0.901  -1.776
   63    HA   CYS   9           HA       CYS   9  -5.412  -0.358  -4.362
   64    HB2  CYS   9           HB2      CYS   9  -3.169   1.020  -2.963
   65    HB3  CYS   9           HB1      CYS   9  -3.107   0.915  -4.720
   66    H    TYR  10           HN       TYR  10  -2.395  -1.468  -2.908
   67    HA   TYR  10           HA       TYR  10  -2.199  -3.731  -4.682
   68    HB2  TYR  10           HB2      TYR  10  -0.856  -1.253  -5.349
   69    HB3  TYR  10           HB1      TYR  10   0.312  -2.542  -5.083
   70    HD1  TYR  10           HD1      TYR  10   0.287  -4.551  -6.521
   71    HD2  TYR  10           HD2      TYR  10  -2.313  -1.263  -7.254
   72    HE1  TYR  10           HE1      TYR  10  -0.142  -5.404  -8.787
   73    HE2  TYR  10           HE2      TYR  10  -2.751  -2.109  -9.522
   74    HH   TYR  10           HH       TYR  10  -1.875  -5.229 -10.522
   75    H    LEU  11           HN       LEU  11   0.025  -4.872  -4.317
   76    HA   LEU  11           HA       LEU  11   0.924  -4.467  -1.545
   77    HB2  LEU  11           HB2      LEU  11   0.539  -7.152  -2.874
   78    HB3  LEU  11           HB1      LEU  11   1.015  -6.864  -1.213
   79    HG   LEU  11           HG       LEU  11  -1.616  -5.839  -2.200
   80   HD11  LEU  11          HD11      LEU  11  -1.578  -8.155  -2.885
   81   HD12  LEU  11          HD12      LEU  11  -2.662  -7.940  -1.510
   82   HD13  LEU  11          HD13      LEU  11  -1.063  -8.647  -1.272
   83   HD21  LEU  11          HD21      LEU  11  -2.253  -6.142   0.135
   84   HD22  LEU  11          HD22      LEU  11  -0.817  -5.128  -0.005
   85   HD23  LEU  11          HD23      LEU  11  -0.661  -6.813   0.490
   86    H    ASP  12           HN       ASP  12   2.956  -3.826  -1.604
   87    HA   ASP  12           HA       ASP  12   4.642  -4.507  -3.865
   88    HB2  ASP  12           HB2      ASP  12   4.793  -2.560  -1.635
   89    HB3  ASP  12           HB1      ASP  12   6.317  -3.087  -2.343
   90    H    GLU  13           HN       GLU  13   5.486  -4.603  -0.366
   91    HA   GLU  13           HA       GLU  13   6.899  -7.123  -0.920
   92    HB2  GLU  13           HB2      GLU  13   7.793  -4.807   0.783
   93    HB3  GLU  13           HB1      GLU  13   8.510  -6.405   0.918
   94    HG2  GLU  13           HG2      GLU  13   8.402  -4.961  -1.706
   95    HG3  GLU  13           HG1      GLU  13   9.686  -4.657  -0.538
   96    H    TYR  14           HN       TYR  14   5.878  -5.235   1.885
   97    HA   TYR  14           HA       TYR  14   5.234  -7.658   3.355
   98    HB2  TYR  14           HB2      TYR  14   5.222  -4.745   4.160
   99    HB3  TYR  14           HB1      TYR  14   4.760  -6.056   5.238
  100    HD1  TYR  14           HD1      TYR  14   7.544  -4.406   3.525
  101    HD2  TYR  14           HD2      TYR  14   6.434  -7.576   6.137
  102    HE1  TYR  14           HE1      TYR  14   9.901  -4.697   4.167
  103    HE2  TYR  14           HE2      TYR  14   8.786  -7.875   6.787
  104    HH   TYR  14           HH       TYR  14  11.021  -7.402   5.878
  105    H    GLY  15           HN       GLY  15   3.644  -5.210   1.553
  106    HA2  GLY  15           HA2      GLY  15   1.404  -5.734   0.740
  107    HA3  GLY  15           HA1      GLY  15   1.028  -6.329   2.347
  108    H    CYS  16           HN       CYS  16   2.819  -3.371   1.750
  109    HA   CYS  16           HA       CYS  16   0.454  -1.779   2.426
  110    HB2  CYS  16           HB2      CYS  16   2.310  -2.319   4.330
  111    HB3  CYS  16           HB1      CYS  16   2.982  -0.846   3.640
  112    H    ILE  17           HN       ILE  17   0.135  -0.349   0.943
  113    HA   ILE  17           HA       ILE  17   2.349   1.166  -0.213
  114    HB   ILE  17           HB       ILE  17   1.647  -0.745  -1.735
  115   HG12  ILE  17          HG12      ILE  17   1.355   2.060  -2.853
  116   HG13  ILE  17          HG11      ILE  17   2.874   1.238  -2.551
  117   HG21  ILE  17          HG21      ILE  17  -0.747  -0.725  -1.370
  118   HG22  ILE  17          HG22      ILE  17  -0.395  -0.476  -3.079
  119   HG23  ILE  17          HG23      ILE  17  -0.868   0.890  -2.071
  120   HD11  ILE  17          HD11      ILE  17   2.301   1.195  -4.912
  121   HD12  ILE  17          HD12      ILE  17   0.774   0.396  -4.541
  122   HD13  ILE  17          HD13      ILE  17   2.298  -0.437  -4.243
  123    H    ARG  18           HN       ARG  18   0.460   2.545  -2.038
  124    HA   ARG  18           HA       ARG  18  -0.228   4.785  -0.584
  125    HB2  ARG  18           HB2      ARG  18  -0.041   4.386  -3.125
  126    HB3  ARG  18           HB1      ARG  18  -1.723   3.889  -3.038
  127    HG2  ARG  18           HG2      ARG  18  -2.159   6.170  -1.958
  128    HG3  ARG  18           HG1      ARG  18  -0.546   6.604  -2.525
  129    HD2  ARG  18           HD2      ARG  18  -2.127   7.336  -4.165
  130    HD3  ARG  18           HD1      ARG  18  -1.255   5.955  -4.827
  131    HE   ARG  18           HE       ARG  18  -3.395   4.735  -3.847
  132   HH11  ARG  18          HH11      ARG  18  -3.237   7.705  -5.717
  133   HH12  ARG  18          HH12      ARG  18  -4.803   7.479  -6.422
  134   HH21  ARG  18          HH21      ARG  18  -5.442   4.463  -4.781
  135   HH22  ARG  18          HH22      ARG  18  -6.049   5.645  -5.892
  136    H    CYS  19           HN       CYS  19  -1.914   1.798  -0.787
  137    HA   CYS  19           HA       CYS  19  -4.058   2.820   0.873
  138    HB2  CYS  19           HB2      CYS  19  -4.810   1.064  -1.431
  139    HB3  CYS  19           HB1      CYS  19  -5.835   2.118  -0.468
  140    H    CYS  20           HN       CYS  20  -3.004  -0.135  -0.794
  141    HA   CYS  20           HA       CYS  20  -3.772  -1.737   1.516
  142    HB2  CYS  20           HB2      CYS  20  -3.835  -2.274  -1.209
  143    HB3  CYS  20           HB1      CYS  20  -2.459  -3.205  -0.640
  Start of MODEL    5
    1    H1   TYR   1           HT1      TYR   1   7.555   0.956  -2.279
    2    H2   TYR   1           HT2      TYR   1   7.562   1.810  -0.820
    3    H3   TYR   1           HT3      TYR   1   7.711   2.641  -2.286
    4    HA   TYR   1           HA       TYR   1   5.513   2.048  -2.935
    5    HB2  TYR   1           HB2      TYR   1   4.061   1.006  -0.994
    6    HB3  TYR   1           HB1      TYR   1   4.995  -0.043  -2.041
    7    HD1  TYR   1           HD1      TYR   1   7.208  -0.953  -1.170
    8    HD2  TYR   1           HD2      TYR   1   4.411   1.026   1.355
    9    HE1  TYR   1           HE1      TYR   1   8.300  -1.930   0.801
   10    HE2  TYR   1           HE2      TYR   1   5.501   0.057   3.329
   11    HH   TYR   1           HH       TYR   1   6.907  -1.880   3.889
   12    H    GLU   2           HN       GLU   2   4.560   2.236   0.340
   13    HA   GLU   2           HA       GLU   2   4.727   5.156   0.423
   14    HB2  GLU   2           HB2      GLU   2   2.458   4.097  -0.508
   15    HB3  GLU   2           HB1      GLU   2   2.124   3.898   1.206
   16    HG2  GLU   2           HG2      GLU   2   1.143   5.935   0.693
   17    HG3  GLU   2           HG1      GLU   2   2.688   6.398   1.400
   18    H    THR   3           HN       THR   3   3.117   5.448   2.756
   19    HA   THR   3           HA       THR   3   4.391   3.755   4.777
   20    HB   THR   3           HB       THR   3   4.628   5.952   6.156
   21    HG1  THR   3           HG1      THR   3   5.208   7.145   3.685
   22   HG21  THR   3          HG21      THR   3   6.939   6.240   5.335
   23   HG22  THR   3          HG22      THR   3   6.544   5.294   3.900
   24   HG23  THR   3          HG23      THR   3   6.523   4.533   5.490
   25    H    GLY   4           HN       GLY   4   1.960   6.090   3.932
   26    HA2  GLY   4           HA2      GLY   4   0.484   6.005   6.366
   27    HA3  GLY   4           HA1      GLY   4  -0.071   6.671   4.842
   28    H    CYS   5           HN       CYS   5  -0.198   4.525   3.157
   29    HA   CYS   5           HA       CYS   5  -1.595   2.875   2.489
   30    HB2  CYS   5           HB2      CYS   5  -1.030   1.791   5.262
   31    HB3  CYS   5           HB1      CYS   5  -1.806   0.879   3.971
   32    H    LYS   6           HN       LYS   6  -3.493   3.787   2.104
   33    HA   LYS   6           HA       LYS   6  -5.313   4.635   4.141
   34    HB2  LYS   6           HB2      LYS   6  -4.890   5.636   1.793
   35    HB3  LYS   6           HB1      LYS   6  -5.995   4.392   1.227
   36    HG2  LYS   6           HG2      LYS   6  -7.746   5.281   2.694
   37    HG3  LYS   6           HG1      LYS   6  -6.633   6.530   3.257
   38    HD2  LYS   6           HD2      LYS   6  -6.457   7.400   0.974
   39    HD3  LYS   6           HD1      LYS   6  -7.570   6.149   0.413
   40    HE2  LYS   6           HE2      LYS   6  -9.317   7.054   1.869
   41    HE3  LYS   6           HE1      LYS   6  -8.204   8.302   2.429
   42    HZ1  LYS   6           HZ1      LYS   6  -9.145   7.954  -0.367
   43    HZ2  LYS   6           HZ2      LYS   6  -8.079   9.152   0.169
   44    HZ3  LYS   6           HZ3      LYS   6  -9.680   9.141   0.715
   45    H    ARG   7           HN       ARG   7  -6.315   2.670   1.393
   46    HA   ARG   7           HA       ARG   7  -7.642   0.816   3.250
   47    HB2  ARG   7           HB2      ARG   7  -9.303   0.485   1.236
   48    HB3  ARG   7           HB1      ARG   7  -9.506   1.854   2.314
   49    HG2  ARG   7           HG2      ARG   7  -8.443   3.320   0.693
   50    HG3  ARG   7           HG1      ARG   7  -8.146   1.950  -0.378
   51    HD2  ARG   7           HD2      ARG   7 -10.563   1.582  -0.561
   52    HD3  ARG   7           HD1      ARG   7 -10.850   2.962   0.498
   53    HE   ARG   7           HE       ARG   7  -9.314   3.910  -1.587
   54   HH11  ARG   7          HH11      ARG   7 -12.481   2.426  -1.282
   55   HH12  ARG   7          HH12      ARG   7 -13.120   3.234  -2.675
   56   HH21  ARG   7          HH21      ARG   7 -10.171   4.956  -3.406
   57   HH22  ARG   7          HH22      ARG   7 -11.813   4.664  -3.875
   58    H    CYS   8           HN       CYS   8  -7.502   0.462  -0.242
   59    HA   CYS   8           HA       CYS   8  -5.234  -1.279  -0.181
   60    HB2  CYS   8           HB2      CYS   8  -7.215  -2.743   0.538
   61    HB3  CYS   8           HB1      CYS   8  -7.758  -2.598  -1.134
   62    H    CYS   9           HN       CYS   9  -4.146  -1.135  -1.959
   63    HA   CYS   9           HA       CYS   9  -5.493  -0.352  -4.440
   64    HB2  CYS   9           HB2      CYS   9  -3.267   0.990  -2.997
   65    HB3  CYS   9           HB1      CYS   9  -3.166   0.937  -4.754
   66    H    TYR  10           HN       TYR  10  -2.484  -1.516  -3.052
   67    HA   TYR  10           HA       TYR  10  -2.214  -3.659  -4.955
   68    HB2  TYR  10           HB2      TYR  10  -0.906  -1.115  -5.426
   69    HB3  TYR  10           HB1      TYR  10   0.288  -2.386  -5.195
   70    HD1  TYR  10           HD1      TYR  10  -2.347  -1.096  -7.360
   71    HD2  TYR  10           HD2      TYR  10   0.419  -4.273  -6.762
   72    HE1  TYR  10           HE1      TYR  10  -2.687  -1.821  -9.685
   73    HE2  TYR  10           HE2      TYR  10   0.088  -5.007  -9.086
   74    HH   TYR  10           HH       TYR  10  -1.614  -4.820 -10.851
   75    H    LEU  11           HN       LEU  11   0.135  -4.691  -4.581
   76    HA   LEU  11           HA       LEU  11   0.840  -4.486  -1.737
   77    HB2  LEU  11           HB2      LEU  11   0.645  -7.070  -3.290
   78    HB3  LEU  11           HB1      LEU  11   1.066  -6.899  -1.595
   79    HG   LEU  11           HG       LEU  11  -1.591  -5.923  -2.571
   80   HD11  LEU  11          HD11      LEU  11  -0.918  -8.767  -1.855
   81   HD12  LEU  11          HD12      LEU  11  -1.418  -8.171  -3.438
   82   HD13  LEU  11          HD13      LEU  11  -2.543  -8.122  -2.081
   83   HD21  LEU  11          HD21      LEU  11  -0.687  -7.096   0.057
   84   HD22  LEU  11          HD22      LEU  11  -2.267  -6.395  -0.295
   85   HD23  LEU  11          HD23      LEU  11  -0.829  -5.374  -0.296
   86    H    ASP  12           HN       ASP  12   2.866  -3.866  -1.550
   87    HA   ASP  12           HA       ASP  12   4.683  -4.189  -3.794
   88    HB2  ASP  12           HB2      ASP  12   4.317  -2.101  -2.248
   89    HB3  ASP  12           HB1      ASP  12   5.513  -2.897  -1.233
   90    H    GLU  13           HN       GLU  13   5.409  -4.590  -0.295
   91    HA   GLU  13           HA       GLU  13   6.900  -7.024  -1.009
   92    HB2  GLU  13           HB2      GLU  13   7.677  -4.854   0.930
   93    HB3  GLU  13           HB1      GLU  13   8.451  -6.432   0.903
   94    HG2  GLU  13           HG2      GLU  13   9.138  -6.037  -1.416
   95    HG3  GLU  13           HG1      GLU  13   8.394  -4.441  -1.350
   96    H    TYR  14           HN       TYR  14   5.841  -5.403   1.934
   97    HA   TYR  14           HA       TYR  14   5.229  -7.935   3.204
   98    HB2  TYR  14           HB2      TYR  14   5.039  -5.107   4.252
   99    HB3  TYR  14           HB1      TYR  14   4.774  -6.557   5.213
  100    HD1  TYR  14           HD1      TYR  14   7.278  -4.457   3.559
  101    HD2  TYR  14           HD2      TYR  14   6.643  -7.968   5.876
  102    HE1  TYR  14           HE1      TYR  14   9.683  -4.552   4.067
  103    HE2  TYR  14           HE2      TYR  14   9.045  -8.071   6.391
  104    HH   TYR  14           HH       TYR  14  11.168  -5.496   5.781
  105    H    GLY  15           HN       GLY  15   3.542  -5.316   1.703
  106    HA2  GLY  15           HA2      GLY  15   1.287  -6.157   0.872
  107    HA3  GLY  15           HA1      GLY  15   0.957  -6.442   2.571
  108    H    CYS  16           HN       CYS  16   2.811  -3.714   2.460
  109    HA   CYS  16           HA       CYS  16   0.430  -2.009   2.593
  110    HB2  CYS  16           HB2      CYS  16   2.563  -2.228   4.333
  111    HB3  CYS  16           HB1      CYS  16   2.964  -0.787   3.403
  112    H    ILE  17           HN       ILE  17   0.054  -0.535   1.139
  113    HA   ILE  17           HA       ILE  17   2.168   0.456  -0.600
  114    HB   ILE  17           HB       ILE  17   0.555  -1.553  -1.419
  115   HG12  ILE  17          HG12      ILE  17   2.581  -0.560  -2.551
  116   HG13  ILE  17          HG11      ILE  17   1.359  -1.243  -3.602
  117   HG21  ILE  17          HG21      ILE  17  -1.053  -0.565  -3.116
  118   HG22  ILE  17          HG22      ILE  17  -0.951   0.918  -2.169
  119   HG23  ILE  17          HG23      ILE  17  -1.541  -0.566  -1.421
  120   HD11  ILE  17          HD11      ILE  17   2.145   0.751  -4.625
  121   HD12  ILE  17          HD12      ILE  17   1.953   1.674  -3.135
  122   HD13  ILE  17          HD13      ILE  17   0.530   1.102  -4.006
  123    H    ARG  18           HN       ARG  18   0.480   2.042  -2.253
  124    HA   ARG  18           HA       ARG  18   0.144   4.394  -0.796
  125    HB2  ARG  18           HB2      ARG  18  -0.930   3.443  -3.437
  126    HB3  ARG  18           HB1      ARG  18  -1.309   5.046  -2.823
  127    HG2  ARG  18           HG2      ARG  18   0.992   5.684  -2.859
  128    HG3  ARG  18           HG1      ARG  18   1.499   4.031  -3.211
  129    HD2  ARG  18           HD2      ARG  18  -0.268   5.646  -5.039
  130    HD3  ARG  18           HD1      ARG  18   1.489   5.619  -5.172
  131    HE   ARG  18           HE       ARG  18   0.373   2.989  -5.179
  132   HH11  ARG  18          HH11      ARG  18   0.972   5.759  -7.256
  133   HH12  ARG  18          HH12      ARG  18   1.001   4.810  -8.705
  134   HH21  ARG  18          HH21      ARG  18   0.416   1.769  -7.088
  135   HH22  ARG  18          HH22      ARG  18   0.686   2.553  -8.609
  136    H    CYS  19           HN       CYS  19  -1.857   1.681  -0.711
  137    HA   CYS  19           HA       CYS  19  -3.904   3.115   0.738
  138    HB2  CYS  19           HB2      CYS  19  -4.804   1.209  -1.401
  139    HB3  CYS  19           HB1      CYS  19  -5.764   2.378  -0.505
  140    H    CYS  20           HN       CYS  20  -2.998  -0.062  -0.538
  141    HA   CYS  20           HA       CYS  20  -4.212  -1.482   1.633
  142    HB2  CYS  20           HB2      CYS  20  -3.478  -2.218  -0.904
  143    HB3  CYS  20           HB1      CYS  20  -2.219  -2.969   0.067
  Start of MODEL    6
    1    H1   TYR   1           HT1      TYR   1   7.349   2.676  -3.493
    2    H2   TYR   1           HT2      TYR   1   7.244   0.993  -3.632
    3    H3   TYR   1           HT3      TYR   1   7.721   1.691  -2.169
    4    HA   TYR   1           HA       TYR   1   5.074   2.019  -3.442
    5    HB2  TYR   1           HB2      TYR   1   4.300   0.618  -1.427
    6    HB3  TYR   1           HB1      TYR   1   5.156  -0.242  -2.691
    7    HD1  TYR   1           HD1      TYR   1   5.149   0.753   0.796
    8    HD2  TYR   1           HD2      TYR   1   7.506  -0.984  -2.290
    9    HE1  TYR   1           HE1      TYR   1   6.707  -0.121   2.484
   10    HE2  TYR   1           HE2      TYR   1   9.070  -1.863  -0.610
   11    HH   TYR   1           HH       TYR   1   9.759  -1.376   1.699
   12    H    GLU   2           HN       GLU   2   4.092   2.014  -0.543
   13    HA   GLU   2           HA       GLU   2   5.013   4.654   0.345
   14    HB2  GLU   2           HB2      GLU   2   2.940   4.770  -1.182
   15    HB3  GLU   2           HB1      GLU   2   2.071   3.963   0.109
   16    HG2  GLU   2           HG2      GLU   2   1.579   6.261   0.281
   17    HG3  GLU   2           HG1      GLU   2   2.685   5.891   1.598
   18    H    THR   3           HN       THR   3   3.699   5.120   2.547
   19    HA   THR   3           HA       THR   3   3.430   2.653   4.105
   20    HB   THR   3           HB       THR   3   4.623   3.919   6.020
   21    HG1  THR   3           HG1      THR   3   5.914   5.203   3.828
   22   HG21  THR   3          HG21      THR   3   6.205   2.883   3.649
   23   HG22  THR   3          HG22      THR   3   5.524   1.902   4.946
   24   HG23  THR   3          HG23      THR   3   6.817   3.050   5.295
   25    H    GLY   4           HN       GLY   4   1.826   2.659   5.473
   26    HA2  GLY   4           HA2      GLY   4   0.558   4.035   7.166
   27    HA3  GLY   4           HA1      GLY   4   0.304   5.165   5.841
   28    H    CYS   5           HN       CYS   5  -0.129   3.236   3.787
   29    HA   CYS   5           HA       CYS   5  -1.856   2.263   2.712
   30    HB2  CYS   5           HB2      CYS   5  -2.867   0.582   4.861
   31    HB3  CYS   5           HB1      CYS   5  -2.084   0.120   3.358
   32    H    LYS   6           HN       LYS   6  -3.327   3.823   2.304
   33    HA   LYS   6           HA       LYS   6  -5.138   4.881   4.216
   34    HB2  LYS   6           HB2      LYS   6  -4.318   5.808   1.890
   35    HB3  LYS   6           HB1      LYS   6  -5.734   4.961   1.286
   36    HG2  LYS   6           HG2      LYS   6  -7.158   6.266   2.787
   37    HG3  LYS   6           HG1      LYS   6  -5.735   7.115   3.394
   38    HD2  LYS   6           HD2      LYS   6  -5.296   7.981   1.146
   39    HD3  LYS   6           HD1      LYS   6  -6.719   7.129   0.540
   40    HE2  LYS   6           HE2      LYS   6  -8.141   8.447   2.035
   41    HE3  LYS   6           HE1      LYS   6  -6.718   9.296   2.639
   42    HZ1  LYS   6           HZ1      LYS   6  -6.332  10.157   0.414
   43    HZ2  LYS   6           HZ2      LYS   6  -7.873  10.590   0.961
   44    HZ3  LYS   6           HZ3      LYS   6  -7.698   9.341  -0.166
   45    H    ARG   7           HN       ARG   7  -6.030   3.082   1.311
   46    HA   ARG   7           HA       ARG   7  -8.004   1.574   2.877
   47    HB2  ARG   7           HB2      ARG   7  -9.317   1.437   0.631
   48    HB3  ARG   7           HB1      ARG   7  -9.416   2.917   1.564
   49    HG2  ARG   7           HG2      ARG   7  -7.533   3.771   0.032
   50    HG3  ARG   7           HG1      ARG   7  -7.955   2.406  -1.003
   51    HD2  ARG   7           HD2      ARG   7 -10.266   3.202  -1.109
   52    HD3  ARG   7           HD1      ARG   7  -9.841   4.571  -0.082
   53    HE   ARG   7           HE       ARG   7  -8.129   4.620  -2.272
   54   HH11  ARG   7          HH11      ARG   7 -11.575   4.980  -1.694
   55   HH12  ARG   7          HH12      ARG   7 -11.811   6.019  -3.060
   56   HH21  ARG   7          HH21      ARG   7  -8.463   5.980  -4.054
   57   HH22  ARG   7          HH22      ARG   7 -10.051   6.584  -4.394
   58    H    CYS   8           HN       CYS   8  -7.479   0.884  -0.501
   59    HA   CYS   8           HA       CYS   8  -5.326  -0.915  -0.125
   60    HB2  CYS   8           HB2      CYS   8  -8.017  -2.032   0.105
   61    HB3  CYS   8           HB1      CYS   8  -7.007  -2.851  -1.086
   62    H    CYS   9           HN       CYS   9  -4.180  -0.691  -1.816
   63    HA   CYS   9           HA       CYS   9  -5.458  -0.385  -4.434
   64    HB2  CYS   9           HB2      CYS   9  -3.123   0.988  -3.174
   65    HB3  CYS   9           HB1      CYS   9  -3.137   0.779  -4.923
   66    H    TYR  10           HN       TYR  10  -2.406  -1.397  -2.965
   67    HA   TYR  10           HA       TYR  10  -2.312  -3.835  -4.522
   68    HB2  TYR  10           HB2      TYR  10  -0.907  -1.437  -5.361
   69    HB3  TYR  10           HB1      TYR  10   0.211  -2.760  -5.057
   70    HD1  TYR  10           HD1      TYR  10  -2.455  -1.506  -7.205
   71    HD2  TYR  10           HD2      TYR  10   0.099  -4.813  -6.406
   72    HE1  TYR  10           HE1      TYR  10  -2.993  -2.447  -9.413
   73    HE2  TYR  10           HE2      TYR  10  -0.430  -5.763  -8.611
   74    HH   TYR  10           HH       TYR  10  -2.006  -3.998 -11.043
   75    H    LEU  11           HN       LEU  11  -0.096  -4.986  -4.104
   76    HA   LEU  11           HA       LEU  11   0.876  -4.380  -1.395
   77    HB2  LEU  11           HB2      LEU  11   0.393  -7.143  -2.520
   78    HB3  LEU  11           HB1      LEU  11   0.986  -6.765  -0.913
   79    HG   LEU  11           HG       LEU  11  -1.693  -5.758  -1.800
   80   HD11  LEU  11          HD11      LEU  11  -1.104  -8.487  -0.678
   81   HD12  LEU  11          HD12      LEU  11  -1.723  -8.123  -2.288
   82   HD13  LEU  11          HD13      LEU  11  -2.708  -7.778  -0.867
   83   HD21  LEU  11          HD21      LEU  11  -0.686  -4.900   0.276
   84   HD22  LEU  11          HD22      LEU  11  -0.607  -6.547   0.901
   85   HD23  LEU  11          HD23      LEU  11  -2.172  -5.803   0.571
   86    H    ASP  12           HN       ASP  12   2.911  -3.780  -1.542
   87    HA   ASP  12           HA       ASP  12   4.519  -4.676  -3.798
   88    HB2  ASP  12           HB2      ASP  12   4.314  -2.261  -2.809
   89    HB3  ASP  12           HB1      ASP  12   5.570  -2.816  -1.707
   90    H    GLU  13           HN       GLU  13   5.478  -4.286  -0.347
   91    HA   GLU  13           HA       GLU  13   6.943  -6.813  -0.605
   92    HB2  GLU  13           HB2      GLU  13   8.124  -4.389  -0.371
   93    HB3  GLU  13           HB1      GLU  13   7.993  -4.851   1.321
   94    HG2  GLU  13           HG2      GLU  13   9.149  -6.952   0.813
   95    HG3  GLU  13           HG1      GLU  13   9.327  -6.427  -0.861
   96    H    TYR  14           HN       TYR  14   6.156  -4.634   2.063
   97    HA   TYR  14           HA       TYR  14   5.630  -6.832   3.853
   98    HB2  TYR  14           HB2      TYR  14   5.456  -3.836   4.198
   99    HB3  TYR  14           HB1      TYR  14   5.067  -4.977   5.481
  100    HD1  TYR  14           HD1      TYR  14   6.820  -6.259   6.577
  101    HD2  TYR  14           HD2      TYR  14   7.751  -3.502   3.475
  102    HE1  TYR  14           HE1      TYR  14   9.192  -6.348   7.219
  103    HE2  TYR  14           HE2      TYR  14  10.126  -3.584   4.107
  104    HH   TYR  14           HH       TYR  14  11.391  -5.931   6.203
  105    H    GLY  15           HN       GLY  15   3.796  -5.006   1.664
  106    HA2  GLY  15           HA2      GLY  15   1.586  -5.783   1.099
  107    HA3  GLY  15           HA1      GLY  15   1.307  -6.094   2.803
  108    H    CYS  16           HN       CYS  16   2.920  -3.155   2.101
  109    HA   CYS  16           HA       CYS  16   0.391  -1.669   2.215
  110    HB2  CYS  16           HB2      CYS  16   1.484  -1.686   4.456
  111    HB3  CYS  16           HB1      CYS  16   2.884  -0.894   3.739
  112    H    ILE  17           HN       ILE  17   0.179  -0.134   0.814
  113    HA   ILE  17           HA       ILE  17   2.491   1.124  -0.446
  114    HB   ILE  17           HB       ILE  17   1.680  -0.778  -1.882
  115   HG12  ILE  17          HG12      ILE  17   1.329   1.938  -3.181
  116   HG13  ILE  17          HG11      ILE  17   2.881   1.205  -2.821
  117   HG21  ILE  17          HG21      ILE  17  -0.696  -0.701  -1.431
  118   HG22  ILE  17          HG22      ILE  17  -0.402  -0.536  -3.162
  119   HG23  ILE  17          HG23      ILE  17  -0.818   0.882  -2.200
  120   HD11  ILE  17          HD11      ILE  17   0.802   0.106  -4.702
  121   HD12  ILE  17          HD12      ILE  17   2.359  -0.639  -4.344
  122   HD13  ILE  17          HD13      ILE  17   2.296   0.923  -5.161
  123    H    ARG  18           HN       ARG  18   0.380   2.367  -2.316
  124    HA   ARG  18           HA       ARG  18  -0.049   4.775  -0.920
  125    HB2  ARG  18           HB2      ARG  18   0.156   4.290  -3.446
  126    HB3  ARG  18           HB1      ARG  18  -1.548   3.870  -3.373
  127    HG2  ARG  18           HG2      ARG  18  -1.898   6.202  -2.372
  128    HG3  ARG  18           HG1      ARG  18  -0.259   6.547  -2.928
  129    HD2  ARG  18           HD2      ARG  18  -1.791   7.292  -4.611
  130    HD3  ARG  18           HD1      ARG  18  -0.963   5.860  -5.217
  131    HE   ARG  18           HE       ARG  18  -3.171   4.763  -4.222
  132   HH11  ARG  18          HH11      ARG  18  -2.839   7.627  -6.233
  133   HH12  ARG  18          HH12      ARG  18  -4.395   7.430  -6.968
  134   HH21  ARG  18          HH21      ARG  18  -5.204   4.530  -5.197
  135   HH22  ARG  18          HH22      ARG  18  -5.731   5.679  -6.382
  136    H    CYS  19           HN       CYS  19  -1.764   1.833  -0.817
  137    HA   CYS  19           HA       CYS  19  -3.948   3.021   0.647
  138    HB2  CYS  19           HB2      CYS  19  -4.745   1.194  -1.587
  139    HB3  CYS  19           HB1      CYS  19  -5.728   2.351  -0.704
  140    H    CYS  20           HN       CYS  20  -3.006  -0.046  -0.879
  141    HA   CYS  20           HA       CYS  20  -3.939  -1.546   1.441
  142    HB2  CYS  20           HB2      CYS  20  -4.047  -2.152  -1.212
  143    HB3  CYS  20           HB1      CYS  20  -2.589  -3.008  -0.745
  Start of MODEL    7
    1    H1   TYR   1           HT1      TYR   1   7.535   0.920  -2.724
    2    H2   TYR   1           HT2      TYR   1   7.732   1.755  -1.265
    3    H3   TYR   1           HT3      TYR   1   7.616   2.611  -2.719
    4    HA   TYR   1           HA       TYR   1   5.372   1.929  -3.034
    5    HB2  TYR   1           HB2      TYR   1   4.313   0.786  -0.878
    6    HB3  TYR   1           HB1      TYR   1   5.059  -0.184  -2.132
    7    HD1  TYR   1           HD1      TYR   1   5.230   0.905   1.334
    8    HD2  TYR   1           HD2      TYR   1   7.300  -1.186  -1.740
    9    HE1  TYR   1           HE1      TYR   1   6.711  -0.095   3.020
   10    HE2  TYR   1           HE2      TYR   1   8.787  -2.192  -0.061
   11    HH   TYR   1           HH       TYR   1   9.577  -1.722   2.217
   12    H    GLU   2           HN       GLU   2   4.553   2.034   0.212
   13    HA   GLU   2           HA       GLU   2   4.874   4.935   0.456
   14    HB2  GLU   2           HB2      GLU   2   2.575   4.045  -0.569
   15    HB3  GLU   2           HB1      GLU   2   2.197   3.774   1.124
   16    HG2  GLU   2           HG2      GLU   2   1.312   5.874   0.668
   17    HG3  GLU   2           HG1      GLU   2   2.838   6.225   1.475
   18    H    THR   3           HN       THR   3   3.262   5.228   2.761
   19    HA   THR   3           HA       THR   3   4.361   3.368   4.734
   20    HB   THR   3           HB       THR   3   4.725   5.483   6.209
   21    HG1  THR   3           HG1      THR   3   5.452   6.739   3.812
   22   HG21  THR   3          HG21      THR   3   7.069   5.638   5.443
   23   HG22  THR   3          HG22      THR   3   6.638   4.784   3.962
   24   HG23  THR   3          HG23      THR   3   6.530   3.961   5.518
   25    H    GLY   4           HN       GLY   4   2.128   5.917   3.943
   26    HA2  GLY   4           HA2      GLY   4   0.585   5.881   6.322
   27    HA3  GLY   4           HA1      GLY   4   0.091   6.569   4.787
   28    H    CYS   5           HN       CYS   5  -0.133   4.476   3.096
   29    HA   CYS   5           HA       CYS   5  -1.578   2.881   2.390
   30    HB2  CYS   5           HB2      CYS   5  -1.099   1.719   5.148
   31    HB3  CYS   5           HB1      CYS   5  -1.816   0.856   3.791
   32    H    LYS   6           HN       LYS   6  -3.461   3.854   2.020
   33    HA   LYS   6           HA       LYS   6  -5.271   4.652   4.091
   34    HB2  LYS   6           HB2      LYS   6  -4.847   5.653   1.695
   35    HB3  LYS   6           HB1      LYS   6  -6.091   4.506   1.224
   36    HG2  LYS   6           HG2      LYS   6  -7.638   5.522   2.824
   37    HG3  LYS   6           HG1      LYS   6  -6.388   6.674   3.297
   38    HD2  LYS   6           HD2      LYS   6  -6.325   7.541   1.005
   39    HD3  LYS   6           HD1      LYS   6  -7.578   6.391   0.537
   40    HE2  LYS   6           HE2      LYS   6  -7.962   8.428   2.719
   41    HE3  LYS   6           HE1      LYS   6  -8.345   8.756   1.030
   42    HZ1  LYS   6           HZ1      LYS   6  -9.533   6.593   2.684
   43    HZ2  LYS   6           HZ2      LYS   6  -9.903   6.906   1.064
   44    HZ3  LYS   6           HZ3      LYS   6 -10.297   8.040   2.255
   45    H    ARG   7           HN       ARG   7  -6.311   2.799   1.283
   46    HA   ARG   7           HA       ARG   7  -7.711   0.940   3.080
   47    HB2  ARG   7           HB2      ARG   7  -9.264   2.389   1.868
   48    HB3  ARG   7           HB1      ARG   7  -8.543   1.921   0.336
   49    HG2  ARG   7           HG2      ARG   7  -9.475  -0.209   0.406
   50    HG3  ARG   7           HG1      ARG   7  -9.788  -0.119   2.140
   51    HD2  ARG   7           HD2      ARG   7 -11.499   1.592   1.736
   52    HD3  ARG   7           HD1      ARG   7 -11.178   1.502   0.005
   53    HE   ARG   7           HE       ARG   7 -11.825  -1.061   0.964
   54   HH11  ARG   7          HH11      ARG   7 -13.391   2.020   0.338
   55   HH12  ARG   7          HH12      ARG   7 -14.941   1.303   0.052
   56   HH21  ARG   7          HH21      ARG   7 -13.863  -1.977   0.584
   57   HH22  ARG   7          HH22      ARG   7 -15.208  -0.958   0.191
   58    H    CYS   8           HN       CYS   8  -7.721   0.303  -0.318
   59    HA   CYS   8           HA       CYS   8  -5.446  -1.492  -0.140
   60    HB2  CYS   8           HB2      CYS   8  -7.514  -2.807   0.475
   61    HB3  CYS   8           HB1      CYS   8  -8.077  -2.538  -1.174
   62    H    CYS   9           HN       CYS   9  -4.186  -0.951  -1.722
   63    HA   CYS   9           HA       CYS   9  -5.351  -0.301  -4.332
   64    HB2  CYS   9           HB2      CYS   9  -3.196   1.034  -2.766
   65    HB3  CYS   9           HB1      CYS   9  -3.040   1.002  -4.519
   66    H    TYR  10           HN       TYR  10  -2.421  -1.484  -2.767
   67    HA   TYR  10           HA       TYR  10  -2.134  -3.667  -4.596
   68    HB2  TYR  10           HB2      TYR  10  -0.927  -1.187  -5.315
   69    HB3  TYR  10           HB1      TYR  10   0.361  -2.304  -4.875
   70    HD1  TYR  10           HD1      TYR  10   0.733  -4.335  -6.165
   71    HD2  TYR  10           HD2      TYR  10  -2.299  -1.559  -7.252
   72    HE1  TYR  10           HE1      TYR  10   0.566  -5.399  -8.379
   73    HE2  TYR  10           HE2      TYR  10  -2.478  -2.613  -9.471
   74    HH   TYR  10           HH       TYR  10  -1.075  -5.617 -10.198
   75    H    LEU  11           HN       LEU  11   0.075  -4.780  -4.243
   76    HA   LEU  11           HA       LEU  11   1.006  -4.443  -1.477
   77    HB2  LEU  11           HB2      LEU  11   0.501  -7.097  -2.833
   78    HB3  LEU  11           HB1      LEU  11   1.085  -6.864  -1.197
   79    HG   LEU  11           HG       LEU  11  -1.274  -5.442  -1.209
   80   HD11  LEU  11          HD11      LEU  11  -1.857  -6.303  -3.396
   81   HD12  LEU  11          HD12      LEU  11  -2.952  -6.923  -2.160
   82   HD13  LEU  11          HD13      LEU  11  -1.677  -7.956  -2.809
   83   HD21  LEU  11          HD21      LEU  11  -0.583  -8.225  -0.320
   84   HD22  LEU  11          HD22      LEU  11  -2.160  -7.505   0.000
   85   HD23  LEU  11          HD23      LEU  11  -0.703  -6.755   0.645
   86    H    ASP  12           HN       ASP  12   3.008  -3.713  -1.691
   87    HA   ASP  12           HA       ASP  12   4.631  -4.501  -3.970
   88    HB2  ASP  12           HB2      ASP  12   4.407  -2.136  -2.974
   89    HB3  ASP  12           HB1      ASP  12   5.545  -2.690  -1.753
   90    H    GLU  13           HN       GLU  13   5.207  -4.513  -0.412
   91    HA   GLU  13           HA       GLU  13   7.030  -6.771  -0.850
   92    HB2  GLU  13           HB2      GLU  13   7.825  -4.330  -0.012
   93    HB3  GLU  13           HB1      GLU  13   7.484  -5.095   1.535
   94    HG2  GLU  13           HG2      GLU  13   8.978  -6.940   0.926
   95    HG3  GLU  13           HG1      GLU  13   9.350  -6.115  -0.587
   96    H    TYR  14           HN       TYR  14   5.758  -5.305   2.091
   97    HA   TYR  14           HA       TYR  14   5.015  -7.918   3.119
   98    HB2  TYR  14           HB2      TYR  14   5.035  -5.169   4.370
   99    HB3  TYR  14           HB1      TYR  14   4.460  -6.605   5.209
  100    HD1  TYR  14           HD1      TYR  14   7.402  -4.848   3.919
  101    HD2  TYR  14           HD2      TYR  14   6.017  -8.319   5.951
  102    HE1  TYR  14           HE1      TYR  14   9.702  -5.341   4.632
  103    HE2  TYR  14           HE2      TYR  14   8.315  -8.822   6.670
  104    HH   TYR  14           HH       TYR  14  10.852  -6.587   6.413
  105    H    GLY  15           HN       GLY  15   3.526  -5.211   1.640
  106    HA2  GLY  15           HA2      GLY  15   1.297  -5.674   0.691
  107    HA3  GLY  15           HA1      GLY  15   0.858  -6.323   2.263
  108    H    CYS  16           HN       CYS  16   2.717  -3.388   1.656
  109    HA   CYS  16           HA       CYS  16   0.425  -1.749   2.451
  110    HB2  CYS  16           HB2      CYS  16   2.255  -2.387   4.322
  111    HB3  CYS  16           HB1      CYS  16   3.040  -0.974   3.626
  112    H    ILE  17           HN       ILE  17   0.116  -0.380   0.888
  113    HA   ILE  17           HA       ILE  17   2.360   1.164  -0.193
  114    HB   ILE  17           HB       ILE  17   1.718  -0.748  -1.734
  115   HG12  ILE  17          HG12      ILE  17   1.533   2.099  -2.764
  116   HG13  ILE  17          HG11      ILE  17   2.991   1.152  -2.551
  117   HG21  ILE  17          HG21      ILE  17  -0.802   0.867  -2.141
  118   HG22  ILE  17          HG22      ILE  17  -0.688  -0.747  -1.440
  119   HG23  ILE  17          HG23      ILE  17  -0.289  -0.494  -3.139
  120   HD11  ILE  17          HD11      ILE  17   2.275  -0.361  -4.332
  121   HD12  ILE  17          HD12      ILE  17   2.369   1.309  -4.894
  122   HD13  ILE  17          HD13      ILE  17   0.800   0.585  -4.537
  123    H    ARG  18           HN       ARG  18   0.401   2.441  -2.103
  124    HA   ARG  18           HA       ARG  18  -0.288   4.748  -0.766
  125    HB2  ARG  18           HB2      ARG  18  -1.260   3.420  -3.271
  126    HB3  ARG  18           HB1      ARG  18  -2.008   4.917  -2.730
  127    HG2  ARG  18           HG2      ARG  18   0.051   6.104  -2.925
  128    HG3  ARG  18           HG1      ARG  18   0.950   4.609  -3.192
  129    HD2  ARG  18           HD2      ARG  18  -1.213   5.616  -5.034
  130    HD3  ARG  18           HD1      ARG  18   0.500   5.970  -5.254
  131    HE   ARG  18           HE       ARG  18  -0.151   3.158  -5.049
  132   HH11  ARG  18          HH11      ARG  18   0.327   5.853  -7.251
  133   HH12  ARG  18          HH12      ARG  18   0.645   4.831  -8.614
  134   HH21  ARG  18          HH21      ARG  18   0.271   1.842  -6.845
  135   HH22  ARG  18          HH22      ARG  18   0.613   2.563  -8.382
  136    H    CYS  19           HN       CYS  19  -1.911   1.730  -0.770
  137    HA   CYS  19           HA       CYS  19  -3.994   2.729   0.978
  138    HB2  CYS  19           HB2      CYS  19  -4.778   0.968  -1.329
  139    HB3  CYS  19           HB1      CYS  19  -5.821   1.895  -0.262
  140    H    CYS  20           HN       CYS  20  -3.814  -0.370  -0.706
  141    HA   CYS  20           HA       CYS  20  -4.059  -1.954   1.574
  142    HB2  CYS  20           HB2      CYS  20  -3.913  -2.457  -1.187
  143    HB3  CYS  20           HB1      CYS  20  -2.596  -3.379  -0.479
  Start of MODEL    8
    1    H1   TYR   1           HT1      TYR   1   7.738   1.774  -0.801
    2    H2   TYR   1           HT2      TYR   1   7.873   2.674  -2.228
    3    H3   TYR   1           HT3      TYR   1   7.755   0.988  -2.300
    4    HA   TYR   1           HA       TYR   1   5.689   2.060  -2.912
    5    HB2  TYR   1           HB2      TYR   1   4.290   0.916  -0.948
    6    HB3  TYR   1           HB1      TYR   1   5.148  -0.053  -2.132
    7    HD1  TYR   1           HD1      TYR   1   4.894   0.895   1.370
    8    HD2  TYR   1           HD2      TYR   1   7.298  -1.145  -1.488
    9    HE1  TYR   1           HE1      TYR   1   6.106  -0.219   3.192
   10    HE2  TYR   1           HE2      TYR   1   8.514  -2.267   0.330
   11    HH   TYR   1           HH       TYR   1   9.005  -1.912   2.712
   12    H    GLU   2           HN       GLU   2   4.617   2.087   0.321
   13    HA   GLU   2           HA       GLU   2   4.791   5.000   0.567
   14    HB2  GLU   2           HB2      GLU   2   2.572   3.997  -0.534
   15    HB3  GLU   2           HB1      GLU   2   2.148   3.721   1.148
   16    HG2  GLU   2           HG2      GLU   2   1.194   5.780   0.658
   17    HG3  GLU   2           HG1      GLU   2   2.684   6.203   1.496
   18    H    THR   3           HN       THR   3   3.181   5.304   2.816
   19    HA   THR   3           HA       THR   3   4.208   3.447   4.833
   20    HB   THR   3           HB       THR   3   4.570   5.573   6.294
   21    HG1  THR   3           HG1      THR   3   5.361   6.783   3.890
   22   HG21  THR   3          HG21      THR   3   6.933   5.681   5.581
   23   HG22  THR   3          HG22      THR   3   6.523   4.818   4.099
   24   HG23  THR   3          HG23      THR   3   6.364   4.013   5.660
   25    H    GLY   4           HN       GLY   4   2.028   6.013   3.965
   26    HA2  GLY   4           HA2      GLY   4   0.448   6.096   6.302
   27    HA3  GLY   4           HA1      GLY   4  -0.036   6.677   4.721
   28    H    CYS   5           HN       CYS   5  -0.235   4.454   3.179
   29    HA   CYS   5           HA       CYS   5  -1.672   2.809   2.583
   30    HB2  CYS   5           HB2      CYS   5  -1.314   1.876   5.446
   31    HB3  CYS   5           HB1      CYS   5  -1.966   0.910   4.127
   32    H    LYS   6           HN       LYS   6  -3.551   3.740   2.085
   33    HA   LYS   6           HA       LYS   6  -5.390   4.740   4.045
   34    HB2  LYS   6           HB2      LYS   6  -4.909   5.551   1.594
   35    HB3  LYS   6           HB1      LYS   6  -6.129   4.361   1.173
   36    HG2  LYS   6           HG2      LYS   6  -7.737   5.489   2.635
   37    HG3  LYS   6           HG1      LYS   6  -6.507   6.684   3.057
   38    HD2  LYS   6           HD2      LYS   6  -6.372   7.371   0.711
   39    HD3  LYS   6           HD1      LYS   6  -7.599   6.175   0.289
   40    HE2  LYS   6           HE2      LYS   6  -9.205   7.316   1.741
   41    HE3  LYS   6           HE1      LYS   6  -7.978   8.510   2.163
   42    HZ1  LYS   6           HZ1      LYS   6  -9.068   8.037  -0.560
   43    HZ2  LYS   6           HZ2      LYS   6  -7.890   9.183  -0.157
   44    HZ3  LYS   6           HZ3      LYS   6  -9.461   9.338   0.449
   45    H    ARG   7           HN       ARG   7  -6.327   2.640   1.374
   46    HA   ARG   7           HA       ARG   7  -7.706   0.881   3.281
   47    HB2  ARG   7           HB2      ARG   7  -9.316   0.451   1.244
   48    HB3  ARG   7           HB1      ARG   7  -9.550   1.867   2.255
   49    HG2  ARG   7           HG2      ARG   7  -8.379   3.237   0.580
   50    HG3  ARG   7           HG1      ARG   7  -8.186   1.811  -0.437
   51    HD2  ARG   7           HD2      ARG   7 -10.869   2.802   0.496
   52    HD3  ARG   7           HD1      ARG   7 -10.119   3.350  -1.002
   53    HE   ARG   7           HE       ARG   7 -10.107   0.587  -1.096
   54   HH11  ARG   7          HH11      ARG   7 -12.563   3.091  -0.922
   55   HH12  ARG   7          HH12      ARG   7 -13.751   2.143  -1.755
   56   HH21  ARG   7          HH21      ARG   7 -11.676  -0.633  -2.184
   57   HH22  ARG   7          HH22      ARG   7 -13.246   0.037  -2.468
   58    H    CYS   8           HN       CYS   8  -7.371   0.451  -0.200
   59    HA   CYS   8           HA       CYS   8  -5.129  -1.278  -0.029
   60    HB2  CYS   8           HB2      CYS   8  -7.038  -2.768   0.779
   61    HB3  CYS   8           HB1      CYS   8  -7.637  -2.704  -0.879
   62    H    CYS   9           HN       CYS   9  -4.020  -0.940  -1.745
   63    HA   CYS   9           HA       CYS   9  -5.396  -0.370  -4.272
   64    HB2  CYS   9           HB2      CYS   9  -3.153   1.001  -2.911
   65    HB3  CYS   9           HB1      CYS   9  -2.997   0.807  -4.653
   66    H    TYR  10           HN       TYR  10  -2.363  -1.552  -2.928
   67    HA   TYR  10           HA       TYR  10  -2.271  -3.807  -4.713
   68    HB2  TYR  10           HB2      TYR  10  -0.975  -1.356  -5.455
   69    HB3  TYR  10           HB1      TYR  10   0.247  -2.583  -5.145
   70    HD1  TYR  10           HD1      TYR  10  -2.503  -1.551  -7.312
   71    HD2  TYR  10           HD2      TYR  10   0.375  -4.586  -6.540
   72    HE1  TYR  10           HE1      TYR  10  -2.913  -2.499  -9.545
   73    HE2  TYR  10           HE2      TYR  10  -0.025  -5.544  -8.771
   74    HH   TYR  10           HH       TYR  10  -1.799  -5.566 -10.473
   75    H    LEU  11           HN       LEU  11   0.009  -4.935  -4.434
   76    HA   LEU  11           HA       LEU  11   0.896  -4.631  -1.645
   77    HB2  LEU  11           HB2      LEU  11   0.677  -7.246  -3.138
   78    HB3  LEU  11           HB1      LEU  11   1.084  -7.027  -1.447
   79    HG   LEU  11           HG       LEU  11  -1.566  -6.080  -2.460
   80   HD11  LEU  11          HD11      LEU  11  -0.900  -8.912  -1.696
   81   HD12  LEU  11          HD12      LEU  11  -1.390  -8.341  -3.291
   82   HD13  LEU  11          HD13      LEU  11  -2.524  -8.270  -1.942
   83   HD21  LEU  11          HD21      LEU  11  -0.849  -5.484  -0.194
   84   HD22  LEU  11          HD22      LEU  11  -0.667  -7.194   0.193
   85   HD23  LEU  11          HD23      LEU  11  -2.261  -6.541  -0.179
   86    H    ASP  12           HN       ASP  12   2.890  -3.898  -1.638
   87    HA   ASP  12           HA       ASP  12   4.636  -4.359  -3.914
   88    HB2  ASP  12           HB2      ASP  12   4.280  -2.137  -2.600
   89    HB3  ASP  12           HB1      ASP  12   5.457  -2.814  -1.480
   90    H    GLU  13           HN       GLU  13   5.365  -4.527  -0.388
   91    HA   GLU  13           HA       GLU  13   6.989  -6.899  -0.964
   92    HB2  GLU  13           HB2      GLU  13   8.004  -4.510  -0.207
   93    HB3  GLU  13           HB1      GLU  13   7.757  -5.263   1.363
   94    HG2  GLU  13           HG2      GLU  13   9.076  -7.193   0.619
   95    HG3  GLU  13           HG1      GLU  13   9.363  -6.379  -0.918
   96    H    TYR  14           HN       TYR  14   5.744  -5.247   1.904
   97    HA   TYR  14           HA       TYR  14   5.184  -7.790   3.193
   98    HB2  TYR  14           HB2      TYR  14   5.020  -4.937   4.166
   99    HB3  TYR  14           HB1      TYR  14   4.534  -6.317   5.145
  100    HD1  TYR  14           HD1      TYR  14   7.362  -4.510   3.682
  101    HD2  TYR  14           HD2      TYR  14   6.194  -7.849   6.046
  102    HE1  TYR  14           HE1      TYR  14   9.689  -4.785   4.433
  103    HE2  TYR  14           HE2      TYR  14   8.517  -8.132   6.805
  104    HH   TYR  14           HH       TYR  14  10.784  -7.560   6.047
  105    H    GLY  15           HN       GLY  15   3.505  -5.309   1.516
  106    HA2  GLY  15           HA2      GLY  15   1.317  -6.026   0.612
  107    HA3  GLY  15           HA1      GLY  15   0.922  -6.540   2.243
  108    H    CYS  16           HN       CYS  16   2.686  -3.595   1.821
  109    HA   CYS  16           HA       CYS  16   0.227  -2.024   2.182
  110    HB2  CYS  16           HB2      CYS  16   2.117  -2.432   4.172
  111    HB3  CYS  16           HB1      CYS  16   2.553  -0.863   3.506
  112    H    ILE  17           HN       ILE  17   0.012  -0.460   0.772
  113    HA   ILE  17           HA       ILE  17   2.355   0.844  -0.366
  114    HB   ILE  17           HB       ILE  17   1.561  -1.026  -1.877
  115   HG12  ILE  17          HG12      ILE  17   1.668   1.822  -2.911
  116   HG13  ILE  17          HG11      ILE  17   3.008   0.710  -2.716
  117   HG21  ILE  17          HG21      ILE  17  -0.407  -0.627  -3.302
  118   HG22  ILE  17          HG22      ILE  17  -0.811   0.789  -2.332
  119   HG23  ILE  17          HG23      ILE  17  -0.838  -0.815  -1.602
  120   HD11  ILE  17          HD11      ILE  17   2.119  -0.686  -4.514
  121   HD12  ILE  17          HD12      ILE  17   2.401   0.969  -5.053
  122   HD13  ILE  17          HD13      ILE  17   0.761   0.423  -4.702
  123    H    ARG  18           HN       ARG  18   0.418   2.174  -2.298
  124    HA   ARG  18           HA       ARG  18  -0.012   4.590  -0.993
  125    HB2  ARG  18           HB2      ARG  18  -0.931   3.322  -3.532
  126    HB3  ARG  18           HB1      ARG  18  -1.659   4.845  -3.041
  127    HG2  ARG  18           HG2      ARG  18   0.435   5.967  -3.123
  128    HG3  ARG  18           HG1      ARG  18   1.312   4.445  -3.286
  129    HD2  ARG  18           HD2      ARG  18  -0.676   5.452  -5.315
  130    HD3  ARG  18           HD1      ARG  18   1.054   5.777  -5.405
  131    HE   ARG  18           HE       ARG  18   0.380   2.979  -5.182
  132   HH11  ARG  18          HH11      ARG  18   0.939   5.616  -7.436
  133   HH12  ARG  18          HH12      ARG  18   1.320   4.559  -8.754
  134   HH21  ARG  18          HH21      ARG  18   0.883   1.617  -6.923
  135   HH22  ARG  18          HH22      ARG  18   1.288   2.298  -8.464
  136    H    CYS  19           HN       CYS  19  -1.878   1.742  -0.776
  137    HA   CYS  19           HA       CYS  19  -3.976   3.135   0.655
  138    HB2  CYS  19           HB2      CYS  19  -4.743   1.149  -1.470
  139    HB3  CYS  19           HB1      CYS  19  -5.797   2.227  -0.568
  140    H    CYS  20           HN       CYS  20  -2.906  -0.041  -0.487
  141    HA   CYS  20           HA       CYS  20  -4.080  -1.417   1.750
  142    HB2  CYS  20           HB2      CYS  20  -3.362  -2.226  -0.774
  143    HB3  CYS  20           HB1      CYS  20  -2.067  -2.901   0.206
  Start of MODEL    9
    1    H1   TYR   1           HT1      TYR   1   7.676   1.829  -1.085
    2    H2   TYR   1           HT2      TYR   1   7.762   2.878  -2.409
    3    H3   TYR   1           HT3      TYR   1   7.609   1.213  -2.660
    4    HA   TYR   1           HA       TYR   1   5.538   2.375  -3.050
    5    HB2  TYR   1           HB2      TYR   1   4.159   1.035  -1.271
    6    HB3  TYR   1           HB1      TYR   1   5.096   0.145  -2.459
    7    HD1  TYR   1           HD1      TYR   1   7.408  -0.734  -1.702
    8    HD2  TYR   1           HD2      TYR   1   4.444   0.655   1.021
    9    HE1  TYR   1           HE1      TYR   1   8.513  -1.960   0.119
   10    HE2  TYR   1           HE2      TYR   1   5.547  -0.562   2.847
   11    HH   TYR   1           HH       TYR   1   7.054  -2.486   3.131
   12    H    GLU   2           HN       GLU   2   4.485   2.060   0.130
   13    HA   GLU   2           HA       GLU   2   4.809   4.895   0.779
   14    HB2  GLU   2           HB2      GLU   2   2.564   4.167  -0.475
   15    HB3  GLU   2           HB1      GLU   2   2.093   3.698   1.152
   16    HG2  GLU   2           HG2      GLU   2   1.268   5.852   0.961
   17    HG3  GLU   2           HG1      GLU   2   2.793   6.090   1.810
   18    H    THR   3           HN       THR   3   3.219   5.000   3.039
   19    HA   THR   3           HA       THR   3   4.077   2.805   4.779
   20    HB   THR   3           HB       THR   3   4.585   4.676   6.521
   21    HG1  THR   3           HG1      THR   3   5.490   6.134   4.299
   22   HG21  THR   3          HG21      THR   3   6.260   3.083   5.687
   23   HG22  THR   3          HG22      THR   3   6.958   4.696   5.830
   24   HG23  THR   3          HG23      THR   3   6.498   4.072   4.246
   25    H    GLY   4           HN       GLY   4   2.107   5.621   4.270
   26    HA2  GLY   4           HA2      GLY   4   0.528   5.541   6.599
   27    HA3  GLY   4           HA1      GLY   4   0.088   6.326   5.095
   28    H    CYS   5           HN       CYS   5  -0.211   4.221   3.338
   29    HA   CYS   5           HA       CYS   5  -1.754   2.742   2.585
   30    HB2  CYS   5           HB2      CYS   5  -2.106   1.421   5.235
   31    HB3  CYS   5           HB1      CYS   5  -1.849   0.704   3.649
   32    H    LYS   6           HN       LYS   6  -3.544   3.850   2.090
   33    HA   LYS   6           HA       LYS   6  -5.333   4.900   4.076
   34    HB2  LYS   6           HB2      LYS   6  -4.698   5.854   1.725
   35    HB3  LYS   6           HB1      LYS   6  -5.994   4.810   1.161
   36    HG2  LYS   6           HG2      LYS   6  -7.565   5.953   2.648
   37    HG3  LYS   6           HG1      LYS   6  -6.262   6.998   3.218
   38    HD2  LYS   6           HD2      LYS   6  -5.962   7.859   0.944
   39    HD3  LYS   6           HD1      LYS   6  -7.267   6.814   0.378
   40    HE2  LYS   6           HE2      LYS   6  -8.834   7.969   1.860
   41    HE3  LYS   6           HE1      LYS   6  -7.530   9.011   2.428
   42    HZ1  LYS   6           HZ1      LYS   6  -8.533   8.863  -0.364
   43    HZ2  LYS   6           HZ2      LYS   6  -7.281   9.863   0.178
   44    HZ3  LYS   6           HZ3      LYS   6  -8.859  10.105   0.738
   45    H    ARG   7           HN       ARG   7  -6.276   3.004   1.246
   46    HA   ARG   7           HA       ARG   7  -7.996   1.369   2.982
   47    HB2  ARG   7           HB2      ARG   7  -9.485   1.178   0.829
   48    HB3  ARG   7           HB1      ARG   7  -9.614   2.604   1.843
   49    HG2  ARG   7           HG2      ARG   7  -8.157   3.829   0.285
   50    HG3  ARG   7           HG1      ARG   7  -8.063   2.397  -0.738
   51    HD2  ARG   7           HD2      ARG   7  -9.714   3.760  -1.716
   52    HD3  ARG   7           HD1      ARG   7 -10.594   2.493  -0.865
   53    HE   ARG   7           HE       ARG   7 -10.395   4.578   0.919
   54   HH11  ARG   7          HH11      ARG   7 -11.797   4.163  -2.274
   55   HH12  ARG   7          HH12      ARG   7 -13.027   5.355  -2.014
   56   HH21  ARG   7          HH21      ARG   7 -12.012   6.135   1.236
   57   HH22  ARG   7          HH22      ARG   7 -13.148   6.469  -0.029
   58    H    CYS   8           HN       CYS   8  -7.664   0.836  -0.460
   59    HA   CYS   8           HA       CYS   8  -5.594  -1.129  -0.191
   60    HB2  CYS   8           HB2      CYS   8  -7.615  -2.417   0.517
   61    HB3  CYS   8           HB1      CYS   8  -8.308  -2.121  -1.077
   62    H    CYS   9           HN       CYS   9  -4.362  -0.893  -1.876
   63    HA   CYS   9           HA       CYS   9  -5.565  -0.210  -4.463
   64    HB2  CYS   9           HB2      CYS   9  -3.188   0.922  -3.051
   65    HB3  CYS   9           HB1      CYS   9  -3.179   0.867  -4.811
   66    H    TYR  10           HN       TYR  10  -2.641  -1.531  -3.011
   67    HA   TYR  10           HA       TYR  10  -2.571  -3.867  -4.661
   68    HB2  TYR  10           HB2      TYR  10  -1.101  -1.453  -5.507
   69    HB3  TYR  10           HB1      TYR  10  -0.095  -2.891  -5.404
   70    HD1  TYR  10           HD1      TYR  10  -2.450  -1.083  -7.380
   71    HD2  TYR  10           HD2      TYR  10  -0.871  -4.977  -6.702
   72    HE1  TYR  10           HE1      TYR  10  -3.252  -1.789  -9.594
   73    HE2  TYR  10           HE2      TYR  10  -1.671  -5.693  -8.914
   74    HH   TYR  10           HH       TYR  10  -3.383  -5.040 -10.553
   75    H    LEU  11           HN       LEU  11  -0.166  -4.915  -4.368
   76    HA   LEU  11           HA       LEU  11   0.768  -4.338  -1.643
   77    HB2  LEU  11           HB2      LEU  11   0.459  -7.084  -2.861
   78    HB3  LEU  11           HB1      LEU  11   1.071  -6.729  -1.258
   79    HG   LEU  11           HG       LEU  11  -1.704  -5.909  -2.051
   80   HD11  LEU  11          HD11      LEU  11  -0.863  -8.584  -0.965
   81   HD12  LEU  11          HD12      LEU  11  -1.541  -8.267  -2.562
   82   HD13  LEU  11          HD13      LEU  11  -2.523  -8.013  -1.118
   83   HD21  LEU  11          HD21      LEU  11  -2.096  -6.095   0.363
   84   HD22  LEU  11          HD22      LEU  11  -0.796  -4.960  -0.004
   85   HD23  LEU  11          HD23      LEU  11  -0.413  -6.575   0.594
   86    H    ASP  12           HN       ASP  12   2.860  -3.907  -1.541
   87    HA   ASP  12           HA       ASP  12   4.500  -4.396  -3.894
   88    HB2  ASP  12           HB2      ASP  12   4.295  -2.155  -2.568
   89    HB3  ASP  12           HB1      ASP  12   5.470  -2.894  -1.485
   90    H    GLU  13           HN       GLU  13   5.602  -4.431  -0.483
   91    HA   GLU  13           HA       GLU  13   6.837  -7.030  -1.029
   92    HB2  GLU  13           HB2      GLU  13   8.216  -4.719  -0.720
   93    HB3  GLU  13           HB1      GLU  13   8.197  -5.321   0.932
   94    HG2  GLU  13           HG2      GLU  13   9.135  -7.445   0.143
   95    HG3  GLU  13           HG1      GLU  13   9.207  -6.785  -1.490
   96    H    TYR  14           HN       TYR  14   6.214  -4.955   1.772
   97    HA   TYR  14           HA       TYR  14   5.886  -7.233   3.503
   98    HB2  TYR  14           HB2      TYR  14   5.794  -4.267   3.982
   99    HB3  TYR  14           HB1      TYR  14   5.420  -5.432   5.248
  100    HD1  TYR  14           HD1      TYR  14   7.162  -6.795   6.239
  101    HD2  TYR  14           HD2      TYR  14   8.069  -4.029   3.135
  102    HE1  TYR  14           HE1      TYR  14   9.557  -7.004   6.759
  103    HE2  TYR  14           HE2      TYR  14  10.465  -4.232   3.646
  104    HH   TYR  14           HH       TYR  14  11.895  -4.872   5.542
  105    H    GLY  15           HN       GLY  15   3.785  -4.730   2.202
  106    HA2  GLY  15           HA2      GLY  15   1.497  -6.147   1.929
  107    HA3  GLY  15           HA1      GLY  15   1.477  -5.723   3.630
  108    H    CYS  16           HN       CYS  16   2.965  -3.122   2.600
  109    HA   CYS  16           HA       CYS  16   0.453  -1.708   2.037
  110    HB2  CYS  16           HB2      CYS  16   1.786  -1.044   4.074
  111    HB3  CYS  16           HB1      CYS  16   3.047  -0.480   2.983
  112    H    ILE  17           HN       ILE  17   0.449   0.010   0.494
  113    HA   ILE  17           HA       ILE  17   2.593  -0.021  -1.477
  114    HB   ILE  17           HB       ILE  17   0.677  -1.650  -2.023
  115   HG12  ILE  17          HG12      ILE  17   2.472  -0.900  -3.604
  116   HG13  ILE  17          HG11      ILE  17   0.981  -1.427  -4.352
  117   HG21  ILE  17          HG21      ILE  17  -1.196  -0.638  -3.339
  118   HG22  ILE  17          HG22      ILE  17  -0.740   0.920  -2.651
  119   HG23  ILE  17          HG23      ILE  17  -1.263  -0.392  -1.595
  120   HD11  ILE  17          HD11      ILE  17   1.905   0.510  -5.500
  121   HD12  ILE  17          HD12      ILE  17   1.852   1.440  -4.003
  122   HD13  ILE  17          HD13      ILE  17   0.353   0.905  -4.762
  123    H    ARG  18           HN       ARG  18  -0.473   1.386  -0.589
  124    HA   ARG  18           HA       ARG  18   0.288   4.061  -0.297
  125    HB2  ARG  18           HB2      ARG  18   0.465   3.691  -2.893
  126    HB3  ARG  18           HB1      ARG  18  -1.289   3.691  -2.849
  127    HG2  ARG  18           HG2      ARG  18   0.166   5.978  -1.606
  128    HG3  ARG  18           HG1      ARG  18   0.067   5.886  -3.364
  129    HD2  ARG  18           HD2      ARG  18  -2.276   5.871  -1.457
  130    HD3  ARG  18           HD1      ARG  18  -1.740   7.248  -2.417
  131    HE   ARG  18           HE       ARG  18  -2.639   4.756  -3.710
  132   HH11  ARG  18          HH11      ARG  18  -2.968   8.228  -3.273
  133   HH12  ARG  18          HH12      ARG  18  -4.092   8.401  -4.579
  134   HH21  ARG  18          HH21      ARG  18  -4.107   5.009  -5.417
  135   HH22  ARG  18          HH22      ARG  18  -4.736   6.580  -5.791
  136    H    CYS  19           HN       CYS  19  -1.867   1.513  -0.637
  137    HA   CYS  19           HA       CYS  19  -3.941   2.830   0.901
  138    HB2  CYS  19           HB2      CYS  19  -4.747   1.147  -1.445
  139    HB3  CYS  19           HB1      CYS  19  -5.710   2.315  -0.550
  140    H    CYS  20           HN       CYS  20  -3.121  -0.191  -0.750
  141    HA   CYS  20           HA       CYS  20  -4.180  -1.764   1.450
  142    HB2  CYS  20           HB2      CYS  20  -4.121  -2.230  -1.273
  143    HB3  CYS  20           HB1      CYS  20  -2.832  -3.261  -0.674
  Start of MODEL   10
    1    H1   TYR   1           HT1      TYR   1   7.693   1.790  -0.877
    2    H2   TYR   1           HT2      TYR   1   7.794   2.700  -2.298
    3    H3   TYR   1           HT3      TYR   1   7.678   1.014  -2.382
    4    HA   TYR   1           HA       TYR   1   5.596   2.085  -2.939
    5    HB2  TYR   1           HB2      TYR   1   4.237   0.920  -0.968
    6    HB3  TYR   1           HB1      TYR   1   5.095  -0.042  -2.158
    7    HD1  TYR   1           HD1      TYR   1   7.270  -1.104  -1.531
    8    HD2  TYR   1           HD2      TYR   1   4.848   0.891   1.345
    9    HE1  TYR   1           HE1      TYR   1   8.509  -2.214   0.278
   10    HE2  TYR   1           HE2      TYR   1   6.083  -0.213   3.157
   11    HH   TYR   1           HH       TYR   1   7.441  -2.238   3.493
   12    H    GLU   2           HN       GLU   2   4.573   2.091   0.307
   13    HA   GLU   2           HA       GLU   2   4.764   5.000   0.577
   14    HB2  GLU   2           HB2      GLU   2   2.526   4.015  -0.503
   15    HB3  GLU   2           HB1      GLU   2   2.123   3.734   1.184
   16    HG2  GLU   2           HG2      GLU   2   1.183   5.803   0.767
   17    HG3  GLU   2           HG1      GLU   2   2.723   6.224   1.510
   18    H    THR   3           HN       THR   3   3.173   5.289   2.842
   19    HA   THR   3           HA       THR   3   4.213   3.417   4.838
   20    HB   THR   3           HB       THR   3   4.590   5.534   6.310
   21    HG1  THR   3           HG1      THR   3   5.364   6.756   3.906
   22   HG21  THR   3          HG21      THR   3   6.377   3.979   5.659
   23   HG22  THR   3          HG22      THR   3   6.948   5.645   5.576
   24   HG23  THR   3          HG23      THR   3   6.524   4.784   4.097
   25    H    GLY   4           HN       GLY   4   2.032   5.994   4.003
   26    HA2  GLY   4           HA2      GLY   4   0.464   6.050   6.353
   27    HA3  GLY   4           HA1      GLY   4  -0.022   6.662   4.784
   28    H    CYS   5           HN       CYS   5  -0.231   4.466   3.205
   29    HA   CYS   5           HA       CYS   5  -1.678   2.837   2.581
   30    HB2  CYS   5           HB2      CYS   5  -1.334   1.856   5.430
   31    HB3  CYS   5           HB1      CYS   5  -1.977   0.914   4.089
   32    H    LYS   6           HN       LYS   6  -3.558   3.779   2.097
   33    HA   LYS   6           HA       LYS   6  -5.385   4.744   4.095
   34    HB2  LYS   6           HB2      LYS   6  -4.899   5.633   1.667
   35    HB3  LYS   6           HB1      LYS   6  -6.144   4.477   1.218
   36    HG2  LYS   6           HG2      LYS   6  -7.718   5.579   2.733
   37    HG3  LYS   6           HG1      LYS   6  -6.466   6.741   3.183
   38    HD2  LYS   6           HD2      LYS   6  -6.344   7.505   0.860
   39    HD3  LYS   6           HD1      LYS   6  -7.594   6.342   0.411
   40    HE2  LYS   6           HE2      LYS   6  -9.168   7.455   1.919
   41    HE3  LYS   6           HE1      LYS   6  -7.918   8.617   2.367
   42    HZ1  LYS   6           HZ1      LYS   6  -9.408   9.523   0.700
   43    HZ2  LYS   6           HZ2      LYS   6  -9.045   8.255  -0.358
   44    HZ3  LYS   6           HZ3      LYS   6  -7.845   9.367   0.070
   45    H    ARG   7           HN       ARG   7  -6.314   2.734   1.350
   46    HA   ARG   7           HA       ARG   7  -7.770   0.965   3.192
   47    HB2  ARG   7           HB2      ARG   7  -9.273   0.536   1.075
   48    HB3  ARG   7           HB1      ARG   7  -9.552   1.956   2.065
   49    HG2  ARG   7           HG2      ARG   7  -8.285   3.312   0.448
   50    HG3  ARG   7           HG1      ARG   7  -8.056   1.879  -0.553
   51    HD2  ARG   7           HD2      ARG   7 -10.481   1.663  -0.796
   52    HD3  ARG   7           HD1      ARG   7 -10.708   3.099   0.202
   53    HE   ARG   7           HE       ARG   7  -9.046   3.828  -1.898
   54   HH11  ARG   7          HH11      ARG   7 -12.356   2.709  -1.530
   55   HH12  ARG   7          HH12      ARG   7 -12.913   3.533  -2.947
   56   HH21  ARG   7          HH21      ARG   7  -9.798   4.898  -3.748
   57   HH22  ARG   7          HH22      ARG   7 -11.466   4.772  -4.201
   58    H    CYS   8           HN       CYS   8  -7.324   0.470  -0.259
   59    HA   CYS   8           HA       CYS   8  -5.036  -1.151  -0.065
   60    HB2  CYS   8           HB2      CYS   8  -7.620  -2.556   0.153
   61    HB3  CYS   8           HB1      CYS   8  -6.458  -3.246  -0.980
   62    H    CYS   9           HN       CYS   9  -4.007  -0.863  -1.784
   63    HA   CYS   9           HA       CYS   9  -5.436  -0.456  -4.309
   64    HB2  CYS   9           HB2      CYS   9  -3.129   0.925  -3.046
   65    HB3  CYS   9           HB1      CYS   9  -3.077   0.726  -4.794
   66    H    TYR  10           HN       TYR  10  -2.339  -1.542  -3.017
   67    HA   TYR  10           HA       TYR  10  -2.297  -3.890  -4.695
   68    HB2  TYR  10           HB2      TYR  10  -0.924  -1.462  -5.490
   69    HB3  TYR  10           HB1      TYR  10   0.212  -2.786  -5.263
   70    HD1  TYR  10           HD1      TYR  10   0.069  -4.797  -6.670
   71    HD2  TYR  10           HD2      TYR  10  -2.516  -1.476  -7.292
   72    HE1  TYR  10           HE1      TYR  10  -0.516  -5.678  -8.890
   73    HE2  TYR  10           HE2      TYR  10  -3.111  -2.349  -9.514
   74    HH   TYR  10           HH       TYR  10  -2.165  -3.841 -11.220
   75    H    LEU  11           HN       LEU  11  -0.067  -5.055  -4.392
   76    HA   LEU  11           HA       LEU  11   0.864  -4.648  -1.628
   77    HB2  LEU  11           HB2      LEU  11   0.665  -7.293  -3.069
   78    HB3  LEU  11           HB1      LEU  11   1.088  -7.040  -1.388
   79    HG   LEU  11           HG       LEU  11  -1.583  -6.144  -2.396
   80   HD11  LEU  11          HD11      LEU  11  -0.878  -8.946  -1.561
   81   HD12  LEU  11          HD12      LEU  11  -1.385  -8.424  -3.167
   82   HD13  LEU  11          HD13      LEU  11  -2.510  -8.330  -1.813
   83   HD21  LEU  11          HD21      LEU  11  -2.254  -6.530  -0.102
   84   HD22  LEU  11          HD22      LEU  11  -0.834  -5.486  -0.149
   85   HD23  LEU  11          HD23      LEU  11  -0.663  -7.189   0.278
   86    H    ASP  12           HN       ASP  12   2.856  -3.909  -1.629
   87    HA   ASP  12           HA       ASP  12   4.594  -4.363  -3.910
   88    HB2  ASP  12           HB2      ASP  12   4.236  -2.150  -2.570
   89    HB3  ASP  12           HB1      ASP  12   5.441  -2.828  -1.481
   90    H    GLU  13           HN       GLU  13   5.374  -4.521  -0.395
   91    HA   GLU  13           HA       GLU  13   6.979  -6.902  -0.985
   92    HB2  GLU  13           HB2      GLU  13   8.019  -4.515  -0.267
   93    HB3  GLU  13           HB1      GLU  13   7.794  -5.251   1.315
   94    HG2  GLU  13           HG2      GLU  13   9.089  -7.197   0.562
   95    HG3  GLU  13           HG1      GLU  13   9.359  -6.390  -0.982
   96    H    TYR  14           HN       TYR  14   5.781  -5.224   1.888
   97    HA   TYR  14           HA       TYR  14   5.252  -7.752   3.217
   98    HB2  TYR  14           HB2      TYR  14   5.073  -4.887   4.148
   99    HB3  TYR  14           HB1      TYR  14   4.606  -6.254   5.153
  100    HD1  TYR  14           HD1      TYR  14   7.410  -4.456   3.632
  101    HD2  TYR  14           HD2      TYR  14   6.282  -7.757   6.067
  102    HE1  TYR  14           HE1      TYR  14   9.744  -4.704   4.366
  103    HE2  TYR  14           HE2      TYR  14   8.612  -8.013   6.810
  104    HH   TYR  14           HH       TYR  14  10.985  -5.653   6.267
  105    H    GLY  15           HN       GLY  15   3.532  -5.303   1.534
  106    HA2  GLY  15           HA2      GLY  15   1.342  -6.050   0.658
  107    HA3  GLY  15           HA1      GLY  15   0.968  -6.555   2.296
  108    H    CYS  16           HN       CYS  16   2.693  -3.591   1.783
  109    HA   CYS  16           HA       CYS  16   0.225  -2.043   2.166
  110    HB2  CYS  16           HB2      CYS  16   2.129  -2.415   4.152
  111    HB3  CYS  16           HB1      CYS  16   2.543  -0.845   3.472
  112    H    ILE  17           HN       ILE  17  -0.005  -0.456   0.787
  113    HA   ILE  17           HA       ILE  17   2.321   0.842  -0.393
  114    HB   ILE  17           HB       ILE  17   1.461  -1.022  -1.898
  115   HG12  ILE  17          HG12      ILE  17   1.473   1.783  -3.050
  116   HG13  ILE  17          HG11      ILE  17   2.896   0.822  -2.698
  117   HG21  ILE  17          HG21      ILE  17  -0.927  -0.763  -1.584
  118   HG22  ILE  17          HG22      ILE  17  -0.516  -0.570  -3.288
  119   HG23  ILE  17          HG23      ILE  17  -0.874   0.848  -2.303
  120   HD11  ILE  17          HD11      ILE  17   2.212  -0.812  -4.386
  121   HD12  ILE  17          HD12      ILE  17   2.382   0.805  -5.072
  122   HD13  ILE  17          HD13      ILE  17   0.778   0.155  -4.734
  123    H    ARG  18           HN       ARG  18   0.467   2.291  -2.253
  124    HA   ARG  18           HA       ARG  18   0.012   4.636  -0.845
  125    HB2  ARG  18           HB2      ARG  18   0.171   4.142  -3.374
  126    HB3  ARG  18           HB1      ARG  18  -1.550   3.809  -3.280
  127    HG2  ARG  18           HG2      ARG  18  -1.668   6.180  -2.185
  128    HG3  ARG  18           HG1      ARG  18  -0.104   6.406  -2.971
  129    HD2  ARG  18           HD2      ARG  18  -1.799   7.218  -4.451
  130    HD3  ARG  18           HD1      ARG  18  -1.165   5.717  -5.121
  131    HE   ARG  18           HE       ARG  18  -3.248   4.736  -3.891
  132   HH11  ARG  18          HH11      ARG  18  -3.128   7.779  -5.645
  133   HH12  ARG  18          HH12      ARG  18  -4.808   7.733  -6.066
  134   HH21  ARG  18          HH21      ARG  18  -5.445   4.702  -4.453
  135   HH22  ARG  18          HH22      ARG  18  -6.117   5.993  -5.392
  136    H    CYS  19           HN       CYS  19  -1.851   1.781  -0.772
  137    HA   CYS  19           HA       CYS  19  -3.999   3.120   0.652
  138    HB2  CYS  19           HB2      CYS  19  -4.676   1.111  -1.481
  139    HB3  CYS  19           HB1      CYS  19  -5.760   2.208  -0.638
  140    H    CYS  20           HN       CYS  20  -2.897  -0.027  -0.520
  141    HA   CYS  20           HA       CYS  20  -4.069  -1.501   1.637
  142    HB2  CYS  20           HB2      CYS  20  -3.277  -2.166  -0.871
  143    HB3  CYS  20           HB1      CYS  20  -1.923  -2.778   0.063
  Start of MODEL   11
    1    H1   TYR   1           HT1      TYR   1   7.647   2.692  -2.691
    2    H2   TYR   1           HT2      TYR   1   7.563   1.003  -2.719
    3    H3   TYR   1           HT3      TYR   1   7.747   1.816  -1.247
    4    HA   TYR   1           HA       TYR   1   5.405   2.019  -3.038
    5    HB2  TYR   1           HB2      TYR   1   4.301   0.839  -0.947
    6    HB3  TYR   1           HB1      TYR   1   5.127  -0.120  -2.160
    7    HD1  TYR   1           HD1      TYR   1   5.142   1.012   1.309
    8    HD2  TYR   1           HD2      TYR   1   7.338  -1.109  -1.655
    9    HE1  TYR   1           HE1      TYR   1   6.569   0.051   3.061
   10    HE2  TYR   1           HE2      TYR   1   8.769  -2.078   0.092
   11    HH   TYR   1           HH       TYR   1   9.473  -1.566   2.390
   12    H    GLU   2           HN       GLU   2   4.548   2.085   0.193
   13    HA   GLU   2           HA       GLU   2   4.877   4.980   0.490
   14    HB2  GLU   2           HB2      GLU   2   2.588   4.119  -0.572
   15    HB3  GLU   2           HB1      GLU   2   2.192   3.803   1.109
   16    HG2  GLU   2           HG2      GLU   2   1.309   5.914   0.697
   17    HG3  GLU   2           HG1      GLU   2   2.825   6.245   1.531
   18    H    THR   3           HN       THR   3   3.259   5.243   2.792
   19    HA   THR   3           HA       THR   3   4.335   3.336   4.736
   20    HB   THR   3           HB       THR   3   4.710   5.420   6.252
   21    HG1  THR   3           HG1      THR   3   5.453   6.715   3.881
   22   HG21  THR   3          HG21      THR   3   6.506   3.898   5.539
   23   HG22  THR   3          HG22      THR   3   7.058   5.572   5.494
   24   HG23  THR   3          HG23      THR   3   6.625   4.747   3.997
   25    H    GLY   4           HN       GLY   4   2.125   5.917   3.984
   26    HA2  GLY   4           HA2      GLY   4   0.576   5.862   6.355
   27    HA3  GLY   4           HA1      GLY   4   0.085   6.560   4.823
   28    H    CYS   5           HN       CYS   5  -0.144   4.479   3.121
   29    HA   CYS   5           HA       CYS   5  -1.596   2.892   2.403
   30    HB2  CYS   5           HB2      CYS   5  -1.152   1.696   5.153
   31    HB3  CYS   5           HB1      CYS   5  -1.811   0.849   3.757
   32    H    LYS   6           HN       LYS   6  -3.477   3.881   2.046
   33    HA   LYS   6           HA       LYS   6  -5.281   4.643   4.143
   34    HB2  LYS   6           HB2      LYS   6  -4.846   5.719   1.782
   35    HB3  LYS   6           HB1      LYS   6  -6.099   4.599   1.273
   36    HG2  LYS   6           HG2      LYS   6  -7.637   5.575   2.907
   37    HG3  LYS   6           HG1      LYS   6  -6.377   6.700   3.417
   38    HD2  LYS   6           HD2      LYS   6  -6.309   7.643   1.156
   39    HD3  LYS   6           HD1      LYS   6  -7.568   6.517   0.648
   40    HE2  LYS   6           HE2      LYS   6  -8.668   8.558   1.078
   41    HE3  LYS   6           HE1      LYS   6  -9.016   7.524   2.463
   42    HZ1  LYS   6           HZ1      LYS   6  -6.946   9.655   2.371
   43    HZ2  LYS   6           HZ2      LYS   6  -7.279   8.665   3.701
   44    HZ3  LYS   6           HZ3      LYS   6  -8.442   9.764   3.155
   45    H    ARG   7           HN       ARG   7  -6.310   2.877   1.271
   46    HA   ARG   7           HA       ARG   7  -7.779   1.013   3.006
   47    HB2  ARG   7           HB2      ARG   7  -9.259   2.492   1.734
   48    HB3  ARG   7           HB1      ARG   7  -8.492   2.003   0.232
   49    HG2  ARG   7           HG2      ARG   7  -9.475  -0.099   0.262
   50    HG3  ARG   7           HG1      ARG   7  -9.822  -0.018   1.990
   51    HD2  ARG   7           HD2      ARG   7 -11.494   1.731   1.564
   52    HD3  ARG   7           HD1      ARG   7 -11.144   1.638  -0.162
   53    HE   ARG   7           HE       ARG   7 -11.839  -0.919   0.720
   54   HH11  ARG   7          HH11      ARG   7 -13.387   2.204   0.290
   55   HH12  ARG   7          HH12      ARG   7 -14.954   1.518   0.019
   56   HH21  ARG   7          HH21      ARG   7 -13.899  -1.795   0.363
   57   HH22  ARG   7          HH22      ARG   7 -15.242  -0.744   0.061
   58    H    CYS   8           HN       CYS   8  -7.718   0.334  -0.372
   59    HA   CYS   8           HA       CYS   8  -5.439  -1.448  -0.149
   60    HB2  CYS   8           HB2      CYS   8  -7.473  -2.776   0.499
   61    HB3  CYS   8           HB1      CYS   8  -8.080  -2.519  -1.136
   62    H    CYS   9           HN       CYS   9  -4.183  -0.971  -1.756
   63    HA   CYS   9           HA       CYS   9  -5.361  -0.348  -4.366
   64    HB2  CYS   9           HB2      CYS   9  -3.162   0.961  -2.841
   65    HB3  CYS   9           HB1      CYS   9  -3.024   0.904  -4.596
   66    H    TYR  10           HN       TYR  10  -2.423  -1.555  -2.836
   67    HA   TYR  10           HA       TYR  10  -2.210  -3.793  -4.618
   68    HB2  TYR  10           HB2      TYR  10  -0.865  -1.331  -5.310
   69    HB3  TYR  10           HB1      TYR  10   0.310  -2.604  -5.006
   70    HD1  TYR  10           HD1      TYR  10  -2.230  -1.344  -7.264
   71    HD2  TYR  10           HD2      TYR  10   0.257  -4.681  -6.379
   72    HE1  TYR  10           HE1      TYR  10  -2.626  -2.232  -9.523
   73    HE2  TYR  10           HE2      TYR  10  -0.133  -5.579  -8.635
   74    HH   TYR  10           HH       TYR  10  -1.540  -3.752 -11.122
   75    H    LEU  11           HN       LEU  11  -0.012  -4.944  -4.254
   76    HA   LEU  11           HA       LEU  11   0.891  -4.565  -1.479
   77    HB2  LEU  11           HB2      LEU  11   0.584  -7.228  -2.871
   78    HB3  LEU  11           HB1      LEU  11   1.014  -6.959  -1.192
   79    HG   LEU  11           HG       LEU  11  -1.619  -5.982  -2.228
   80   HD11  LEU  11          HD11      LEU  11  -2.627  -8.120  -1.594
   81   HD12  LEU  11          HD12      LEU  11  -1.016  -8.790  -1.330
   82   HD13  LEU  11          HD13      LEU  11  -1.508  -8.285  -2.947
   83   HD21  LEU  11          HD21      LEU  11  -0.687  -6.960   0.470
   84   HD22  LEU  11          HD22      LEU  11  -2.302  -6.357   0.092
   85   HD23  LEU  11          HD23      LEU  11  -0.911  -5.277  -0.009
   86    H    ASP  12           HN       ASP  12   2.873  -3.797  -1.594
   87    HA   ASP  12           HA       ASP  12   4.576  -4.368  -3.860
   88    HB2  ASP  12           HB2      ASP  12   4.303  -2.152  -2.493
   89    HB3  ASP  12           HB1      ASP  12   5.541  -2.864  -1.462
   90    H    GLU  13           HN       GLU  13   5.401  -4.561  -0.359
   91    HA   GLU  13           HA       GLU  13   6.940  -6.978  -0.983
   92    HB2  GLU  13           HB2      GLU  13   8.047  -4.621  -0.256
   93    HB3  GLU  13           HB1      GLU  13   7.820  -5.365   1.322
   94    HG2  GLU  13           HG2      GLU  13   9.059  -7.333   0.545
   95    HG3  GLU  13           HG1      GLU  13   9.329  -6.530  -1.002
   96    H    TYR  14           HN       TYR  14   5.746  -5.263   1.866
   97    HA   TYR  14           HA       TYR  14   5.128  -7.793   3.175
   98    HB2  TYR  14           HB2      TYR  14   5.155  -4.945   4.177
   99    HB3  TYR  14           HB1      TYR  14   4.617  -6.305   5.157
  100    HD1  TYR  14           HD1      TYR  14   6.211  -7.935   6.003
  101    HD2  TYR  14           HD2      TYR  14   7.505  -4.649   3.632
  102    HE1  TYR  14           HE1      TYR  14   8.532  -8.357   6.696
  103    HE2  TYR  14           HE2      TYR  14   9.830  -5.062   4.318
  104    HH   TYR  14           HH       TYR  14  10.808  -7.909   5.882
  105    H    GLY  15           HN       GLY  15   3.569  -5.181   1.576
  106    HA2  GLY  15           HA2      GLY  15   1.327  -5.690   0.696
  107    HA3  GLY  15           HA1      GLY  15   0.933  -6.313   2.290
  108    H    CYS  16           HN       CYS  16   2.768  -3.376   1.719
  109    HA   CYS  16           HA       CYS  16   0.442  -1.751   2.458
  110    HB2  CYS  16           HB2      CYS  16   2.311  -2.346   4.323
  111    HB3  CYS  16           HB1      CYS  16   3.032  -0.902   3.620
  112    H    ILE  17           HN       ILE  17   0.123  -0.316   0.965
  113    HA   ILE  17           HA       ILE  17   2.356   1.155  -0.214
  114    HB   ILE  17           HB       ILE  17   1.639  -0.758  -1.717
  115   HG12  ILE  17          HG12      ILE  17   1.308   2.009  -2.909
  116   HG13  ILE  17          HG11      ILE  17   2.848   1.252  -2.547
  117   HG21  ILE  17          HG21      ILE  17  -0.406  -0.509  -3.056
  118   HG22  ILE  17          HG22      ILE  17  -0.878   0.869  -2.061
  119   HG23  ILE  17          HG23      ILE  17  -0.751  -0.736  -1.341
  120   HD11  ILE  17          HD11      ILE  17   0.811   0.259  -4.534
  121   HD12  ILE  17          HD12      ILE  17   2.357  -0.512  -4.176
  122   HD13  ILE  17          HD13      ILE  17   2.319   1.090  -4.914
  123    H    ARG  18           HN       ARG  18   0.397   2.502  -2.058
  124    HA   ARG  18           HA       ARG  18  -0.253   4.778  -0.624
  125    HB2  ARG  18           HB2      ARG  18  -0.125   4.357  -3.158
  126    HB3  ARG  18           HB1      ARG  18  -1.788   3.808  -3.029
  127    HG2  ARG  18           HG2      ARG  18  -2.273   6.093  -1.975
  128    HG3  ARG  18           HG1      ARG  18  -0.689   6.567  -2.588
  129    HD2  ARG  18           HD2      ARG  18  -2.339   7.217  -4.198
  130    HD3  ARG  18           HD1      ARG  18  -1.427   5.861  -4.860
  131    HE   ARG  18           HE       ARG  18  -3.503   4.582  -3.803
  132   HH11  ARG  18          HH11      ARG  18  -3.476   7.498  -5.765
  133   HH12  ARG  18          HH12      ARG  18  -5.041   7.194  -6.441
  134   HH21  ARG  18          HH21      ARG  18  -5.551   4.208  -4.701
  135   HH22  ARG  18          HH22      ARG  18  -6.214   5.333  -5.839
  136    H    CYS  19           HN       CYS  19  -1.899   1.779  -0.783
  137    HA   CYS  19           HA       CYS  19  -4.024   2.742   0.947
  138    HB2  CYS  19           HB2      CYS  19  -4.744   0.965  -1.364
  139    HB3  CYS  19           HB1      CYS  19  -5.804   1.938  -0.356
  140    H    CYS  20           HN       CYS  20  -3.795  -0.350  -0.734
  141    HA   CYS  20           HA       CYS  20  -4.048  -1.933   1.549
  142    HB2  CYS  20           HB2      CYS  20  -3.922  -2.430  -1.209
  143    HB3  CYS  20           HB1      CYS  20  -2.590  -3.346  -0.521
  Start of MODEL   12
    1    H1   TYR   1           HT1      TYR   1   7.778   2.687  -2.350
    2    H2   TYR   1           HT2      TYR   1   7.668   1.000  -2.413
    3    H3   TYR   1           HT3      TYR   1   7.702   1.788  -0.917
    4    HA   TYR   1           HA       TYR   1   5.574   2.058  -2.951
    5    HB2  TYR   1           HB2      TYR   1   4.253   0.904  -0.944
    6    HB3  TYR   1           HB1      TYR   1   5.088  -0.061  -2.145
    7    HD1  TYR   1           HD1      TYR   1   7.248  -1.147  -1.560
    8    HD2  TYR   1           HD2      TYR   1   4.944   0.927   1.356
    9    HE1  TYR   1           HE1      TYR   1   8.529  -2.244   0.226
   10    HE2  TYR   1           HE2      TYR   1   6.222  -0.164   3.148
   11    HH   TYR   1           HH       TYR   1   9.104  -1.858   2.585
   12    H    GLU   2           HN       GLU   2   4.558   2.089   0.288
   13    HA   GLU   2           HA       GLU   2   4.771   4.998   0.551
   14    HB2  GLU   2           HB2      GLU   2   2.533   4.035  -0.542
   15    HB3  GLU   2           HB1      GLU   2   2.117   3.744   1.139
   16    HG2  GLU   2           HG2      GLU   2   1.177   5.816   0.667
   17    HG3  GLU   2           HG1      GLU   2   2.669   6.212   1.517
   18    H    THR   3           HN       THR   3   3.161   5.291   2.814
   19    HA   THR   3           HA       THR   3   4.198   3.417   4.810
   20    HB   THR   3           HB       THR   3   4.567   5.530   6.288
   21    HG1  THR   3           HG1      THR   3   5.348   6.764   3.894
   22   HG21  THR   3          HG21      THR   3   6.507   4.794   4.076
   23   HG22  THR   3          HG22      THR   3   6.359   3.979   5.634
   24   HG23  THR   3          HG23      THR   3   6.926   5.649   5.562
   25    H    GLY   4           HN       GLY   4   2.013   5.994   3.979
   26    HA2  GLY   4           HA2      GLY   4   0.443   6.050   6.323
   27    HA3  GLY   4           HA1      GLY   4  -0.048   6.648   4.751
   28    H    CYS   5           HN       CYS   5  -0.251   4.446   3.186
   29    HA   CYS   5           HA       CYS   5  -1.687   2.805   2.575
   30    HB2  CYS   5           HB2      CYS   5  -1.319   1.832   5.422
   31    HB3  CYS   5           HB1      CYS   5  -1.958   0.882   4.085
   32    H    LYS   6           HN       LYS   6  -3.567   3.747   2.102
   33    HA   LYS   6           HA       LYS   6  -5.404   4.707   4.083
   34    HB2  LYS   6           HB2      LYS   6  -4.941   5.534   1.626
   35    HB3  LYS   6           HB1      LYS   6  -6.177   4.354   1.219
   36    HG2  LYS   6           HG2      LYS   6  -7.752   5.482   2.712
   37    HG3  LYS   6           HG1      LYS   6  -6.510   6.667   3.124
   38    HD2  LYS   6           HD2      LYS   6  -6.407   7.368   0.779
   39    HD3  LYS   6           HD1      LYS   6  -7.649   6.184   0.370
   40    HE2  LYS   6           HE2      LYS   6  -9.223   7.324   1.856
   41    HE3  LYS   6           HE1      LYS   6  -7.981   8.508   2.266
   42    HZ1  LYS   6           HZ1      LYS   6  -7.926   9.196  -0.051
   43    HZ2  LYS   6           HZ2      LYS   6  -9.487   9.357   0.582
   44    HZ3  LYS   6           HZ3      LYS   6  -9.119   8.062  -0.442
   45    H    ARG   7           HN       ARG   7  -6.354   2.635   1.395
   46    HA   ARG   7           HA       ARG   7  -7.712   0.848   3.291
   47    HB2  ARG   7           HB2      ARG   7  -9.328   0.432   1.256
   48    HB3  ARG   7           HB1      ARG   7  -9.564   1.835   2.282
   49    HG2  ARG   7           HG2      ARG   7  -8.406   3.227   0.619
   50    HG3  ARG   7           HG1      ARG   7  -8.214   1.812  -0.416
   51    HD2  ARG   7           HD2      ARG   7 -10.646   1.571  -0.533
   52    HD3  ARG   7           HD1      ARG   7 -10.836   2.986   0.502
   53    HE   ARG   7           HE       ARG   7  -9.286   3.701  -1.723
   54   HH11  ARG   7          HH11      ARG   7 -12.604   2.808  -0.997
   55   HH12  ARG   7          HH12      ARG   7 -13.257   3.709  -2.324
   56   HH21  ARG   7          HH21      ARG   7 -10.164   4.873  -3.453
   57   HH22  ARG   7          HH22      ARG   7 -11.877   4.877  -3.712
   58    H    CYS   8           HN       CYS   8  -7.373   0.468  -0.196
   59    HA   CYS   8           HA       CYS   8  -5.130  -1.262  -0.050
   60    HB2  CYS   8           HB2      CYS   8  -7.033  -2.767   0.742
   61    HB3  CYS   8           HB1      CYS   8  -7.635  -2.683  -0.914
   62    H    CYS   9           HN       CYS   9  -4.026  -0.935  -1.773
   63    HA   CYS   9           HA       CYS   9  -5.406  -0.344  -4.292
   64    HB2  CYS   9           HB2      CYS   9  -3.188   1.054  -2.911
   65    HB3  CYS   9           HB1      CYS   9  -3.040   0.893  -4.659
   66    H    TYR  10           HN       TYR  10  -2.369  -1.493  -2.931
   67    HA   TYR  10           HA       TYR  10  -2.220  -3.719  -4.749
   68    HB2  TYR  10           HB2      TYR  10  -0.944  -1.249  -5.442
   69    HB3  TYR  10           HB1      TYR  10   0.296  -2.453  -5.104
   70    HD1  TYR  10           HD1      TYR  10  -2.447  -1.490  -7.322
   71    HD2  TYR  10           HD2      TYR  10   0.526  -4.422  -6.516
   72    HE1  TYR  10           HE1      TYR  10  -2.783  -2.439  -9.568
   73    HE2  TYR  10           HE2      TYR  10   0.201  -5.380  -8.759
   74    HH   TYR  10           HH       TYR  10  -1.541  -5.457 -10.494
   75    H    LEU  11           HN       LEU  11   0.053  -4.840  -4.439
   76    HA   LEU  11           HA       LEU  11   0.928  -4.542  -1.647
   77    HB2  LEU  11           HB2      LEU  11   0.574  -7.176  -3.079
   78    HB3  LEU  11           HB1      LEU  11   1.028  -6.945  -1.403
   79    HG   LEU  11           HG       LEU  11  -1.600  -5.909  -2.387
   80   HD11  LEU  11          HD11      LEU  11  -2.633  -8.043  -1.778
   81   HD12  LEU  11          HD12      LEU  11  -1.029  -8.741  -1.547
   82   HD13  LEU  11          HD13      LEU  11  -1.533  -8.200  -3.149
   83   HD21  LEU  11          HD21      LEU  11  -0.706  -6.986   0.283
   84   HD22  LEU  11          HD22      LEU  11  -2.267  -6.252  -0.083
   85   HD23  LEU  11          HD23      LEU  11  -0.798  -5.279  -0.152
   86    H    ASP  12           HN       ASP  12   2.966  -3.936  -1.631
   87    HA   ASP  12           HA       ASP  12   4.679  -4.543  -3.906
   88    HB2  ASP  12           HB2      ASP  12   4.979  -2.722  -1.535
   89    HB3  ASP  12           HB1      ASP  12   6.328  -3.060  -2.615
   90    H    GLU  13           HN       GLU  13   5.461  -4.643  -0.394
   91    HA   GLU  13           HA       GLU  13   6.923  -7.131  -0.922
   92    HB2  GLU  13           HB2      GLU  13   8.104  -4.782  -0.283
   93    HB3  GLU  13           HB1      GLU  13   7.863  -5.466   1.319
   94    HG2  GLU  13           HG2      GLU  13   9.037  -7.497   0.601
   95    HG3  GLU  13           HG1      GLU  13   9.322  -6.752  -0.971
   96    H    TYR  14           HN       TYR  14   5.850  -5.290   1.899
   97    HA   TYR  14           HA       TYR  14   5.222  -7.721   3.347
   98    HB2  TYR  14           HB2      TYR  14   5.102  -4.806   4.120
   99    HB3  TYR  14           HB1      TYR  14   4.605  -6.108   5.195
  100    HD1  TYR  14           HD1      TYR  14   6.252  -7.594   6.192
  101    HD2  TYR  14           HD2      TYR  14   7.447  -4.444   3.595
  102    HE1  TYR  14           HE1      TYR  14   8.575  -7.854   6.956
  103    HE2  TYR  14           HE2      TYR  14   9.774  -4.695   4.351
  104    HH   TYR  14           HH       TYR  14  10.993  -5.567   6.300
  105    H    GLY  15           HN       GLY  15   3.577  -5.340   1.503
  106    HA2  GLY  15           HA2      GLY  15   1.383  -6.001   0.637
  107    HA3  GLY  15           HA1      GLY  15   0.986  -6.541   2.258
  108    H    CYS  16           HN       CYS  16   2.700  -3.554   1.636
  109    HA   CYS  16           HA       CYS  16   0.257  -2.005   2.113
  110    HB2  CYS  16           HB2      CYS  16   2.162  -2.416   4.095
  111    HB3  CYS  16           HB1      CYS  16   2.573  -0.834   3.443
  112    H    ILE  17           HN       ILE  17   0.028  -0.449   0.712
  113    HA   ILE  17           HA       ILE  17   2.347   0.923  -0.399
  114    HB   ILE  17           HB       ILE  17   1.581  -0.925  -1.951
  115   HG12  ILE  17          HG12      ILE  17   1.683   1.960  -2.864
  116   HG13  ILE  17          HG11      ILE  17   3.001   0.810  -2.784
  117   HG21  ILE  17          HG21      ILE  17  -0.826  -0.739  -1.637
  118   HG22  ILE  17          HG22      ILE  17  -0.406  -0.553  -3.338
  119   HG23  ILE  17          HG23      ILE  17  -0.816   0.864  -2.373
  120   HD11  ILE  17          HD11      ILE  17   0.687   0.701  -4.712
  121   HD12  ILE  17          HD12      ILE  17   2.023  -0.449  -4.638
  122   HD13  ILE  17          HD13      ILE  17   2.329   1.231  -5.080
  123    H    ARG  18           HN       ARG  18   0.402   2.272  -2.298
  124    HA   ARG  18           HA       ARG  18  -0.057   4.651  -0.954
  125    HB2  ARG  18           HB2      ARG  18  -1.000   3.415  -3.499
  126    HB3  ARG  18           HB1      ARG  18  -1.726   4.928  -2.976
  127    HG2  ARG  18           HG2      ARG  18   0.363   6.059  -3.068
  128    HG3  ARG  18           HG1      ARG  18   1.243   4.542  -3.266
  129    HD2  ARG  18           HD2      ARG  18  -0.776   5.571  -5.253
  130    HD3  ARG  18           HD1      ARG  18   0.951   5.909  -5.360
  131    HE   ARG  18           HE       ARG  18   0.293   3.103  -5.174
  132   HH11  ARG  18          HH11      ARG  18   0.823   5.779  -7.388
  133   HH12  ARG  18          HH12      ARG  18   1.196   4.746  -8.728
  134   HH21  ARG  18          HH21      ARG  18   0.787   1.773  -6.942
  135   HH22  ARG  18          HH22      ARG  18   1.174   2.480  -8.474
  136    H    CYS  19           HN       CYS  19  -1.915   1.784  -0.793
  137    HA   CYS  19           HA       CYS  19  -3.999   3.144   0.695
  138    HB2  CYS  19           HB2      CYS  19  -4.798   1.185  -1.439
  139    HB3  CYS  19           HB1      CYS  19  -5.830   2.276  -0.527
  140    H    CYS  20           HN       CYS  20  -2.916  -0.007  -0.502
  141    HA   CYS  20           HA       CYS  20  -4.066  -1.420   1.725
  142    HB2  CYS  20           HB2      CYS  20  -3.362  -2.194  -0.815
  143    HB3  CYS  20           HB1      CYS  20  -2.061  -2.878   0.150
  Start of MODEL   13
    1    H1   TYR   1           HT1      TYR   1   8.239   2.395  -1.972
    2    H2   TYR   1           HT2      TYR   1   7.950   0.728  -1.984
    3    H3   TYR   1           HT3      TYR   1   7.767   1.606  -0.551
    4    HA   TYR   1           HA       TYR   1   6.147   1.959  -2.999
    5    HB2  TYR   1           HB2      TYR   1   4.325   1.100  -1.240
    6    HB3  TYR   1           HB1      TYR   1   5.239  -0.027  -2.226
    7    HD1  TYR   1           HD1      TYR   1   4.605   1.198   1.154
    8    HD2  TYR   1           HD2      TYR   1   7.073  -1.348  -1.202
    9    HE1  TYR   1           HE1      TYR   1   5.386   0.077   3.192
   10    HE2  TYR   1           HE2      TYR   1   7.857  -2.475   0.834
   11    HH   TYR   1           HH       TYR   1   6.356  -2.082   3.849
   12    H    GLU   2           HN       GLU   2   4.588   2.293   0.008
   13    HA   GLU   2           HA       GLU   2   4.988   5.192   0.149
   14    HB2  GLU   2           HB2      GLU   2   2.938   4.454  -1.292
   15    HB3  GLU   2           HB1      GLU   2   2.207   4.016   0.240
   16    HG2  GLU   2           HG2      GLU   2   1.404   6.170  -0.385
   17    HG3  GLU   2           HG1      GLU   2   2.487   6.376   0.985
   18    H    THR   3           HN       THR   3   3.433   5.926   2.167
   19    HA   THR   3           HA       THR   3   3.647   3.957   4.323
   20    HB   THR   3           HB       THR   3   4.408   5.937   5.823
   21    HG1  THR   3           HG1      THR   3   5.462   6.800   3.311
   22   HG21  THR   3          HG21      THR   3   5.767   3.942   5.375
   23   HG22  THR   3          HG22      THR   3   6.775   5.389   5.378
   24   HG23  THR   3          HG23      THR   3   6.313   4.640   3.850
   25    H    GLY   4           HN       GLY   4   1.941   3.886   5.545
   26    HA2  GLY   4           HA2      GLY   4   0.292   5.182   6.886
   27    HA3  GLY   4           HA1      GLY   4  -0.004   6.111   5.422
   28    H    CYS   5           HN       CYS   5  -0.213   4.224   3.481
   29    HA   CYS   5           HA       CYS   5  -1.733   2.925   2.432
   30    HB2  CYS   5           HB2      CYS   5  -1.734   1.334   5.008
   31    HB3  CYS   5           HB1      CYS   5  -2.199   0.749   3.414
   32    H    LYS   6           HN       LYS   6  -3.471   4.140   2.043
   33    HA   LYS   6           HA       LYS   6  -5.391   4.986   3.916
   34    HB2  LYS   6           HB2      LYS   6  -4.829   5.787   1.474
   35    HB3  LYS   6           HB1      LYS   6  -6.105   4.662   1.034
   36    HG2  LYS   6           HG2      LYS   6  -7.668   5.861   2.483
   37    HG3  LYS   6           HG1      LYS   6  -6.386   6.988   2.932
   38    HD2  LYS   6           HD2      LYS   6  -6.185   7.686   0.593
   39    HD3  LYS   6           HD1      LYS   6  -7.469   6.559   0.147
   40    HE2  LYS   6           HE2      LYS   6  -9.030   7.770   1.591
   41    HE3  LYS   6           HE1      LYS   6  -7.746   8.894   2.038
   42    HZ1  LYS   6           HZ1      LYS   6  -8.826   8.506  -0.702
   43    HZ2  LYS   6           HZ2      LYS   6  -7.595   9.584  -0.274
   44    HZ3  LYS   6           HZ3      LYS   6  -9.164   9.814   0.316
   45    H    ARG   7           HN       ARG   7  -6.430   2.980   1.211
   46    HA   ARG   7           HA       ARG   7  -7.951   1.304   3.090
   47    HB2  ARG   7           HB2      ARG   7  -9.434   0.877   0.951
   48    HB3  ARG   7           HB1      ARG   7  -9.680   2.322   1.915
   49    HG2  ARG   7           HG2      ARG   7  -8.351   3.612   0.301
   50    HG3  ARG   7           HG1      ARG   7  -8.132   2.156  -0.669
   51    HD2  ARG   7           HD2      ARG   7 -10.556   1.996  -0.971
   52    HD3  ARG   7           HD1      ARG   7 -10.772   3.454  -0.002
   53    HE   ARG   7           HE       ARG   7  -9.026   4.034  -2.117
   54   HH11  ARG   7          HH11      ARG   7 -12.422   3.274  -1.636
   55   HH12  ARG   7          HH12      ARG   7 -12.935   4.146  -3.043
   56   HH21  ARG   7          HH21      ARG   7  -9.721   5.168  -3.953
   57   HH22  ARG   7          HH22      ARG   7 -11.405   5.217  -4.352
   58    H    CYS   8           HN       CYS   8  -7.513   0.681  -0.339
   59    HA   CYS   8           HA       CYS   8  -5.315  -1.075  -0.017
   60    HB2  CYS   8           HB2      CYS   8  -7.986  -2.265   0.102
   61    HB3  CYS   8           HB1      CYS   8  -6.924  -3.001  -1.098
   62    H    CYS   9           HN       CYS   9  -4.151  -0.742  -1.658
   63    HA   CYS   9           HA       CYS   9  -5.394  -0.261  -4.266
   64    HB2  CYS   9           HB2      CYS   9  -3.120   1.040  -2.849
   65    HB3  CYS   9           HB1      CYS   9  -3.045   0.932  -4.606
   66    H    TYR  10           HN       TYR  10  -2.344  -1.369  -2.855
   67    HA   TYR  10           HA       TYR  10  -2.241  -3.684  -4.587
   68    HB2  TYR  10           HB2      TYR  10  -0.887  -1.229  -5.297
   69    HB3  TYR  10           HB1      TYR  10   0.280  -2.521  -5.042
   70    HD1  TYR  10           HD1      TYR  10   0.270  -4.499  -6.479
   71    HD2  TYR  10           HD2      TYR  10  -2.438  -1.285  -7.132
   72    HE1  TYR  10           HE1      TYR  10  -0.213  -5.373  -8.729
   73    HE2  TYR  10           HE2      TYR  10  -2.931  -2.149  -9.383
   74    HH   TYR  10           HH       TYR  10  -2.007  -5.249 -10.406
   75    H    LEU  11           HN       LEU  11   0.017  -4.823  -4.278
   76    HA   LEU  11           HA       LEU  11   0.971  -4.464  -1.517
   77    HB2  LEU  11           HB2      LEU  11   0.507  -7.103  -2.914
   78    HB3  LEU  11           HB1      LEU  11   1.123  -6.892  -1.287
   79    HG   LEU  11           HG       LEU  11  -1.335  -5.513  -1.391
   80   HD11  LEU  11          HD11      LEU  11  -2.880  -7.275  -2.071
   81   HD12  LEU  11          HD12      LEU  11  -1.517  -8.259  -2.605
   82   HD13  LEU  11          HD13      LEU  11  -1.870  -6.730  -3.410
   83   HD21  LEU  11          HD21      LEU  11  -2.024  -7.464   0.116
   84   HD22  LEU  11          HD22      LEU  11  -0.668  -6.464   0.628
   85   HD23  LEU  11          HD23      LEU  11  -0.373  -8.045  -0.100
   86    H    ASP  12           HN       ASP  12   3.037  -3.892  -1.570
   87    HA   ASP  12           HA       ASP  12   4.640  -4.545  -3.917
   88    HB2  ASP  12           HB2      ASP  12   5.090  -2.655  -1.614
   89    HB3  ASP  12           HB1      ASP  12   6.322  -2.982  -2.829
   90    H    GLU  13           HN       GLU  13   5.369  -4.629  -0.387
   91    HA   GLU  13           HA       GLU  13   7.049  -6.971  -0.928
   92    HB2  GLU  13           HB2      GLU  13   8.028  -4.561  -0.206
   93    HB3  GLU  13           HB1      GLU  13   7.791  -5.292   1.376
   94    HG2  GLU  13           HG2      GLU  13   9.132  -7.217   0.657
   95    HG3  GLU  13           HG1      GLU  13   9.411  -6.418  -0.889
   96    H    TYR  14           HN       TYR  14   6.012  -5.366   2.040
   97    HA   TYR  14           HA       TYR  14   5.440  -7.881   3.322
   98    HB2  TYR  14           HB2      TYR  14   5.177  -5.020   4.246
   99    HB3  TYR  14           HB1      TYR  14   4.744  -6.398   5.252
  100    HD1  TYR  14           HD1      TYR  14   7.501  -4.522   3.742
  101    HD2  TYR  14           HD2      TYR  14   6.461  -7.852   6.176
  102    HE1  TYR  14           HE1      TYR  14   9.838  -4.700   4.486
  103    HE2  TYR  14           HE2      TYR  14   8.794  -8.039   6.929
  104    HH   TYR  14           HH       TYR  14  11.100  -5.610   6.390
  105    H    GLY  15           HN       GLY  15   3.665  -5.446   1.665
  106    HA2  GLY  15           HA2      GLY  15   1.518  -6.295   0.753
  107    HA3  GLY  15           HA1      GLY  15   1.133  -6.781   2.392
  108    H    CYS  16           HN       CYS  16   2.720  -3.763   1.565
  109    HA   CYS  16           HA       CYS  16   0.236  -2.269   1.926
  110    HB2  CYS  16           HB2      CYS  16   2.014  -2.580   4.042
  111    HB3  CYS  16           HB1      CYS  16   2.431  -1.005   3.373
  112    H    ILE  17           HN       ILE  17   0.132  -0.431   0.785
  113    HA   ILE  17           HA       ILE  17   2.546   0.694  -0.392
  114    HB   ILE  17           HB       ILE  17   1.668  -0.852  -2.081
  115   HG12  ILE  17          HG12      ILE  17   1.309   2.050  -2.891
  116   HG13  ILE  17          HG11      ILE  17   2.845   1.212  -2.775
  117   HG21  ILE  17          HG21      ILE  17  -0.887   0.677  -1.747
  118   HG22  ILE  17          HG22      ILE  17  -0.620  -1.065  -1.792
  119   HG23  ILE  17          HG23      ILE  17  -0.510  -0.118  -3.275
  120   HD11  ILE  17          HD11      ILE  17   2.117   1.394  -5.081
  121   HD12  ILE  17          HD12      ILE  17   0.618   0.552  -4.690
  122   HD13  ILE  17          HD13      ILE  17   2.160  -0.295  -4.575
  123    H    ARG  18           HN       ARG  18  -0.048   2.043  -1.937
  124    HA   ARG  18           HA       ARG  18   0.034   4.453  -0.337
  125    HB2  ARG  18           HB2      ARG  18   0.216   4.300  -2.885
  126    HB3  ARG  18           HB1      ARG  18  -1.502   3.940  -2.882
  127    HG2  ARG  18           HG2      ARG  18  -1.712   6.164  -1.550
  128    HG3  ARG  18           HG1      ARG  18  -0.108   6.499  -2.203
  129    HD2  ARG  18           HD2      ARG  18  -1.752   7.461  -3.668
  130    HD3  ARG  18           HD1      ARG  18  -1.008   6.086  -4.481
  131    HE   ARG  18           HE       ARG  18  -3.161   4.927  -3.441
  132   HH11  ARG  18          HH11      ARG  18  -2.912   7.984  -5.157
  133   HH12  ARG  18          HH12      ARG  18  -4.523   7.894  -5.787
  134   HH21  ARG  18          HH21      ARG  18  -5.267   4.834  -4.274
  135   HH22  ARG  18          HH22      ARG  18  -5.855   6.111  -5.286
  136    H    CYS  19           HN       CYS  19  -1.914   1.698  -0.566
  137    HA   CYS  19           HA       CYS  19  -4.028   2.954   0.977
  138    HB2  CYS  19           HB2      CYS  19  -4.798   1.168  -1.308
  139    HB3  CYS  19           HB1      CYS  19  -5.809   2.288  -0.404
  140    H    CYS  20           HN       CYS  20  -3.110  -0.118  -0.521
  141    HA   CYS  20           HA       CYS  20  -4.239  -1.689   1.610
  142    HB2  CYS  20           HB2      CYS  20  -3.729  -2.200  -1.017
  143    HB3  CYS  20           HB1      CYS  20  -2.370  -3.005  -0.251
  Start of MODEL   14
    1    H1   TYR   1           HT1      TYR   1   7.740   1.979  -1.796
    2    H2   TYR   1           HT2      TYR   1   7.339   3.171  -2.925
    3    H3   TYR   1           HT3      TYR   1   7.280   1.539  -3.364
    4    HA   TYR   1           HA       TYR   1   5.085   2.453  -3.003
    5    HB2  TYR   1           HB2      TYR   1   4.416   0.724  -1.150
    6    HB3  TYR   1           HB1      TYR   1   5.091   0.125  -2.655
    7    HD1  TYR   1           HD1      TYR   1   7.413  -0.750  -2.686
    8    HD2  TYR   1           HD2      TYR   1   5.547   0.467   0.939
    9    HE1  TYR   1           HE1      TYR   1   9.126  -1.964  -1.405
   10    HE2  TYR   1           HE2      TYR   1   7.255  -0.742   2.230
   11    HH   TYR   1           HH       TYR   1  10.118  -1.921   0.843
   12    H    GLU   2           HN       GLU   2   4.210   1.846  -0.069
   13    HA   GLU   2           HA       GLU   2   5.000   4.370   1.193
   14    HB2  GLU   2           HB2      GLU   2   2.724   4.335  -0.211
   15    HB3  GLU   2           HB1      GLU   2   2.106   3.622   1.270
   16    HG2  GLU   2           HG2      GLU   2   1.660   5.887   1.510
   17    HG3  GLU   2           HG1      GLU   2   3.132   5.655   2.449
   18    H    THR   3           HN       THR   3   3.304   4.274   3.382
   19    HA   THR   3           HA       THR   3   3.698   1.664   4.648
   20    HB   THR   3           HB       THR   3   4.369   3.041   6.757
   21    HG1  THR   3           HG1      THR   3   5.635   4.745   4.921
   22   HG21  THR   3          HG21      THR   3   6.315   2.600   4.473
   23   HG22  THR   3          HG22      THR   3   5.834   1.395   5.666
   24   HG23  THR   3          HG23      THR   3   6.758   2.811   6.167
   25    H    GLY   4           HN       GLY   4   2.225   4.813   4.668
   26    HA2  GLY   4           HA2      GLY   4   0.493   4.588   6.856
   27    HA3  GLY   4           HA1      GLY   4   0.238   5.634   5.472
   28    H    CYS   5           HN       CYS   5  -0.129   3.781   3.425
   29    HA   CYS   5           HA       CYS   5  -1.760   2.619   2.375
   30    HB2  CYS   5           HB2      CYS   5  -2.514   1.030   4.772
   31    HB3  CYS   5           HB1      CYS   5  -2.132   0.491   3.142
   32    H    LYS   6           HN       LYS   6  -3.362   4.001   1.899
   33    HA   LYS   6           HA       LYS   6  -5.145   5.175   3.727
   34    HB2  LYS   6           HB2      LYS   6  -4.473   5.775   1.243
   35    HB3  LYS   6           HB1      LYS   6  -5.897   4.823   0.858
   36    HG2  LYS   6           HG2      LYS   6  -6.810   6.914   0.967
   37    HG3  LYS   6           HG1      LYS   6  -7.034   6.388   2.636
   38    HD2  LYS   6           HD2      LYS   6  -4.993   7.575   3.283
   39    HD3  LYS   6           HD1      LYS   6  -4.762   8.094   1.613
   40    HE2  LYS   6           HE2      LYS   6  -6.885   9.309   1.701
   41    HE3  LYS   6           HE1      LYS   6  -7.113   8.790   3.370
   42    HZ1  LYS   6           HZ1      LYS   6  -6.229  11.033   3.255
   43    HZ2  LYS   6           HZ2      LYS   6  -4.889  10.492   2.377
   44    HZ3  LYS   6           HZ3      LYS   6  -5.107   9.994   3.979
   45    H    ARG   7           HN       ARG   7  -6.246   3.076   1.111
   46    HA   ARG   7           HA       ARG   7  -7.993   1.671   3.006
   47    HB2  ARG   7           HB2      ARG   7  -9.522   1.338   0.897
   48    HB3  ARG   7           HB1      ARG   7  -9.597   2.848   1.786
   49    HG2  ARG   7           HG2      ARG   7  -8.081   3.860   0.099
   50    HG3  ARG   7           HG1      ARG   7  -8.160   2.356  -0.817
   51    HD2  ARG   7           HD2      ARG   7 -10.587   2.604  -1.013
   52    HD3  ARG   7           HD1      ARG   7 -10.505   4.110  -0.101
   53    HE   ARG   7           HE       ARG   7  -8.786   4.351  -2.280
   54   HH11  ARG   7          HH11      ARG   7 -12.241   4.038  -1.732
   55   HH12  ARG   7          HH12      ARG   7 -12.664   4.899  -3.174
   56   HH21  ARG   7          HH21      ARG   7  -9.364   5.474  -4.162
   57   HH22  ARG   7          HH22      ARG   7 -11.035   5.711  -4.548
   58    H    CYS   8           HN       CYS   8  -7.604   0.902  -0.400
   59    HA   CYS   8           HA       CYS   8  -5.603  -1.088   0.039
   60    HB2  CYS   8           HB2      CYS   8  -7.666  -2.284   0.813
   61    HB3  CYS   8           HB1      CYS   8  -8.304  -2.127  -0.821
   62    H    CYS   9           HN       CYS   9  -4.334  -0.787  -1.615
   63    HA   CYS   9           HA       CYS   9  -5.515  -0.369  -4.264
   64    HB2  CYS   9           HB2      CYS   9  -3.196   0.928  -2.912
   65    HB3  CYS   9           HB1      CYS   9  -3.101   0.685  -4.654
   66    H    TYR  10           HN       TYR  10  -2.614  -1.616  -2.685
   67    HA   TYR  10           HA       TYR  10  -2.582  -4.075  -4.114
   68    HB2  TYR  10           HB2      TYR  10  -1.281  -1.806  -5.369
   69    HB3  TYR  10           HB1      TYR  10  -0.123  -3.080  -5.020
   70    HD1  TYR  10           HD1      TYR  10  -0.665  -5.424  -5.903
   71    HD2  TYR  10           HD2      TYR  10  -2.647  -1.909  -7.248
   72    HE1  TYR  10           HE1      TYR  10  -1.371  -6.613  -7.941
   73    HE2  TYR  10           HE2      TYR  10  -3.365  -3.087  -9.288
   74    HH   TYR  10           HH       TYR  10  -2.664  -5.017 -10.641
   75    H    LEU  11           HN       LEU  11  -0.281  -5.172  -3.832
   76    HA   LEU  11           HA       LEU  11   0.915  -4.311  -1.284
   77    HB2  LEU  11           HB2      LEU  11   0.472  -7.176  -2.130
   78    HB3  LEU  11           HB1      LEU  11   1.118  -6.622  -0.598
   79    HG   LEU  11           HG       LEU  11  -1.636  -5.789  -1.412
   80   HD11  LEU  11          HD11      LEU  11  -0.907  -8.439  -0.189
   81   HD12  LEU  11          HD12      LEU  11  -1.618  -8.175  -1.781
   82   HD13  LEU  11          HD13      LEU  11  -2.540  -7.789  -0.328
   83   HD21  LEU  11          HD21      LEU  11  -2.007  -5.617   0.929
   84   HD22  LEU  11          HD22      LEU  11  -0.453  -4.852   0.593
   85   HD23  LEU  11          HD23      LEU  11  -0.507  -6.470   1.294
   86    H    ASP  12           HN       ASP  12   2.962  -3.786  -1.550
   87    HA   ASP  12           HA       ASP  12   4.415  -4.729  -3.881
   88    HB2  ASP  12           HB2      ASP  12   4.864  -2.533  -1.890
   89    HB3  ASP  12           HB1      ASP  12   6.179  -3.066  -2.932
   90    H    GLU  13           HN       GLU  13   5.609  -4.259  -0.518
   91    HA   GLU  13           HA       GLU  13   7.001  -6.825  -0.790
   92    HB2  GLU  13           HB2      GLU  13   8.238  -4.416  -0.712
   93    HB3  GLU  13           HB1      GLU  13   8.221  -4.832   0.997
   94    HG2  GLU  13           HG2      GLU  13   9.300  -6.969   0.462
   95    HG3  GLU  13           HG1      GLU  13   9.365  -6.490  -1.233
   96    H    TYR  14           HN       TYR  14   6.251  -4.512   1.781
   97    HA   TYR  14           HA       TYR  14   5.921  -6.632   3.718
   98    HB2  TYR  14           HB2      TYR  14   5.729  -3.631   3.934
   99    HB3  TYR  14           HB1      TYR  14   5.425  -4.711   5.290
  100    HD1  TYR  14           HD1      TYR  14   7.978  -3.315   3.068
  101    HD2  TYR  14           HD2      TYR  14   7.248  -5.926   6.346
  102    HE1  TYR  14           HE1      TYR  14  10.385  -3.349   3.568
  103    HE2  TYR  14           HE2      TYR  14   9.653  -5.966   6.857
  104    HH   TYR  14           HH       TYR  14  11.861  -3.787   5.486
  105    H    GLY  15           HN       GLY  15   3.898  -4.548   1.833
  106    HA2  GLY  15           HA2      GLY  15   1.650  -5.660   1.454
  107    HA3  GLY  15           HA1      GLY  15   1.504  -5.593   3.201
  108    H    CYS  16           HN       CYS  16   3.030  -2.959   1.514
  109    HA   CYS  16           HA       CYS  16   0.559  -1.388   1.535
  110    HB2  CYS  16           HB2      CYS  16   1.944  -1.062   3.692
  111    HB3  CYS  16           HB1      CYS  16   3.083  -0.197   2.664
  112    H    ILE  17           HN       ILE  17   0.485   0.280   0.069
  113    HA   ILE  17           HA       ILE  17   2.792   0.738  -1.648
  114    HB   ILE  17           HB       ILE  17   1.608  -0.960  -2.867
  115   HG12  ILE  17          HG12      ILE  17   1.214   1.807  -4.041
  116   HG13  ILE  17          HG11      ILE  17   2.674   0.835  -4.140
  117   HG21  ILE  17          HG21      ILE  17  -0.620  -0.690  -1.854
  118   HG22  ILE  17          HG22      ILE  17  -0.702  -0.722  -3.611
  119   HG23  ILE  17          HG23      ILE  17  -0.844   0.809  -2.756
  120   HD11  ILE  17          HD11      ILE  17   1.455   0.817  -6.236
  121   HD12  ILE  17          HD12      ILE  17   0.024   0.189  -5.418
  122   HD13  ILE  17          HD13      ILE  17   1.483  -0.796  -5.521
  123    H    ARG  18           HN       ARG  18  -0.556   1.629  -1.182
  124    HA   ARG  18           HA       ARG  18  -0.005   4.442  -0.913
  125    HB2  ARG  18           HB2      ARG  18  -0.017   3.840  -3.445
  126    HB3  ARG  18           HB1      ARG  18  -1.743   3.589  -3.237
  127    HG2  ARG  18           HG2      ARG  18  -1.824   5.978  -2.339
  128    HG3  ARG  18           HG1      ARG  18  -0.189   6.150  -2.980
  129    HD2  ARG  18           HD2      ARG  18  -1.736   6.971  -4.619
  130    HD3  ARG  18           HD1      ARG  18  -1.054   5.457  -5.207
  131    HE   ARG  18           HE       ARG  18  -3.287   4.564  -4.096
  132   HH11  ARG  18          HH11      ARG  18  -2.847   7.372  -6.163
  133   HH12  ARG  18          HH12      ARG  18  -4.451   7.289  -6.811
  134   HH21  ARG  18          HH21      ARG  18  -5.383   4.480  -4.957
  135   HH22  ARG  18          HH22      ARG  18  -5.884   5.653  -6.127
  136    H    CYS  19           HN       CYS  19  -1.982   1.665  -0.820
  137    HA   CYS  19           HA       CYS  19  -4.021   3.005   0.746
  138    HB2  CYS  19           HB2      CYS  19  -4.917   1.180  -1.457
  139    HB3  CYS  19           HB1      CYS  19  -5.858   2.366  -0.565
  140    H    CYS  20           HN       CYS  20  -3.128  -0.113  -0.687
  141    HA   CYS  20           HA       CYS  20  -4.097  -1.517   1.686
  142    HB2  CYS  20           HB2      CYS  20  -4.157  -2.213  -1.004
  143    HB3  CYS  20           HB1      CYS  20  -2.848  -3.193  -0.361
  Start of MODEL   15
    1    H1   TYR   1           HT1      TYR   1   7.863   0.804  -2.344
    2    H2   TYR   1           HT2      TYR   1   7.853   1.676  -0.894
    3    H3   TYR   1           HT3      TYR   1   8.068   2.484  -2.364
    4    HA   TYR   1           HA       TYR   1   5.872   1.945  -3.070
    5    HB2  TYR   1           HB2      TYR   1   4.365   0.976  -1.104
    6    HB3  TYR   1           HB1      TYR   1   5.234  -0.103  -2.179
    7    HD1  TYR   1           HD1      TYR   1   7.230  -1.304  -1.366
    8    HD2  TYR   1           HD2      TYR   1   4.945   1.175   1.230
    9    HE1  TYR   1           HE1      TYR   1   8.326  -2.336   0.577
   10    HE2  TYR   1           HE2      TYR   1   6.035   0.150   3.178
   11    HH   TYR   1           HH       TYR   1   7.196  -1.940   3.749
   12    H    GLU   2           HN       GLU   2   4.496   2.224  -0.038
   13    HA   GLU   2           HA       GLU   2   4.960   5.107   0.210
   14    HB2  GLU   2           HB2      GLU   2   2.870   4.457  -1.229
   15    HB3  GLU   2           HB1      GLU   2   2.149   4.009   0.304
   16    HG2  GLU   2           HG2      GLU   2   1.402   6.197  -0.224
   17    HG3  GLU   2           HG1      GLU   2   2.556   6.349   1.093
   18    H    THR   3           HN       THR   3   3.482   5.822   2.264
   19    HA   THR   3           HA       THR   3   3.636   3.777   4.353
   20    HB   THR   3           HB       THR   3   4.493   5.685   5.901
   21    HG1  THR   3           HG1      THR   3   5.536   6.554   3.384
   22   HG21  THR   3          HG21      THR   3   6.323   4.343   3.886
   23   HG22  THR   3          HG22      THR   3   5.747   3.634   5.394
   24   HG23  THR   3          HG23      THR   3   6.826   5.028   5.430
   25    H    GLY   4           HN       GLY   4   1.906   3.708   5.512
   26    HA2  GLY   4           HA2      GLY   4   0.330   5.048   6.931
   27    HA3  GLY   4           HA1      GLY   4   0.050   6.010   5.485
   28    H    CYS   5           HN       CYS   5  -0.195   4.134   3.518
   29    HA   CYS   5           HA       CYS   5  -1.755   2.902   2.455
   30    HB2  CYS   5           HB2      CYS   5  -1.532   1.326   5.024
   31    HB3  CYS   5           HB1      CYS   5  -2.425   0.758   3.615
   32    H    LYS   6           HN       LYS   6  -3.465   4.123   2.055
   33    HA   LYS   6           HA       LYS   6  -5.358   5.019   3.940
   34    HB2  LYS   6           HB2      LYS   6  -4.767   5.819   1.498
   35    HB3  LYS   6           HB1      LYS   6  -6.083   4.741   1.058
   36    HG2  LYS   6           HG2      LYS   6  -7.596   5.987   2.523
   37    HG3  LYS   6           HG1      LYS   6  -6.273   7.066   2.967
   38    HD2  LYS   6           HD2      LYS   6  -6.065   7.769   0.631
   39    HD3  LYS   6           HD1      LYS   6  -7.384   6.685   0.187
   40    HE2  LYS   6           HE2      LYS   6  -8.899   7.939   1.643
   41    HE3  LYS   6           HE1      LYS   6  -7.579   9.021   2.086
   42    HZ1  LYS   6           HZ1      LYS   6  -8.978   9.989   0.375
   43    HZ2  LYS   6           HZ2      LYS   6  -8.686   8.675  -0.649
   44    HZ3  LYS   6           HZ3      LYS   6  -7.420   9.712  -0.223
   45    H    ARG   7           HN       ARG   7  -6.266   2.954   1.221
   46    HA   ARG   7           HA       ARG   7  -7.890   1.322   3.049
   47    HB2  ARG   7           HB2      ARG   7  -9.398   0.979   0.929
   48    HB3  ARG   7           HB1      ARG   7  -9.577   2.438   1.887
   49    HG2  ARG   7           HG2      ARG   7  -8.203   3.664   0.260
   50    HG3  ARG   7           HG1      ARG   7  -8.048   2.197  -0.705
   51    HD2  ARG   7           HD2      ARG   7  -9.775   3.440  -1.715
   52    HD3  ARG   7           HD1      ARG   7 -10.580   2.162  -0.807
   53    HE   ARG   7           HE       ARG   7 -10.415   4.403   0.846
   54   HH11  ARG   7          HH11      ARG   7 -12.044   3.493  -2.130
   55   HH12  ARG   7          HH12      ARG   7 -13.377   4.564  -1.861
   56   HH21  ARG   7          HH21      ARG   7 -12.170   5.797   1.176
   57   HH22  ARG   7          HH22      ARG   7 -13.448   5.868   0.008
   58    H    CYS   8           HN       CYS   8  -7.579   0.671  -0.372
   59    HA   CYS   8           HA       CYS   8  -5.432  -1.212  -0.036
   60    HB2  CYS   8           HB2      CYS   8  -7.435  -2.539   0.656
   61    HB3  CYS   8           HB1      CYS   8  -8.105  -2.284  -0.953
   62    H    CYS   9           HN       CYS   9  -4.168  -0.807  -1.685
   63    HA   CYS   9           HA       CYS   9  -5.373  -0.222  -4.292
   64    HB2  CYS   9           HB2      CYS   9  -3.076   1.024  -2.858
   65    HB3  CYS   9           HB1      CYS   9  -3.000   0.928  -4.616
   66    H    TYR  10           HN       TYR  10  -2.443  -1.526  -2.817
   67    HA   TYR  10           HA       TYR  10  -2.358  -3.795  -4.574
   68    HB2  TYR  10           HB2      TYR  10  -0.953  -1.376  -5.331
   69    HB3  TYR  10           HB1      TYR  10   0.178  -2.700  -5.084
   70    HD1  TYR  10           HD1      TYR  10  -0.079  -4.794  -6.440
   71    HD2  TYR  10           HD2      TYR  10  -2.350  -1.287  -7.241
   72    HE1  TYR  10           HE1      TYR  10  -0.607  -5.657  -8.681
   73    HE2  TYR  10           HE2      TYR  10  -2.887  -2.141  -9.484
   74    HH   TYR  10           HH       TYR  10  -1.967  -3.729 -11.119
   75    H    LEU  11           HN       LEU  11  -0.101  -4.964  -4.282
   76    HA   LEU  11           HA       LEU  11   0.844  -4.577  -1.521
   77    HB2  LEU  11           HB2      LEU  11   0.538  -7.224  -2.944
   78    HB3  LEU  11           HB1      LEU  11   1.048  -6.982  -1.284
   79    HG   LEU  11           HG       LEU  11  -1.646  -6.022  -2.166
   80   HD11  LEU  11          HD11      LEU  11  -2.589  -8.186  -1.524
   81   HD12  LEU  11          HD12      LEU  11  -0.958  -8.836  -1.358
   82   HD13  LEU  11          HD13      LEU  11  -1.540  -8.307  -2.936
   83   HD21  LEU  11          HD21      LEU  11  -0.753  -5.381   0.042
   84   HD22  LEU  11          HD22      LEU  11  -0.632  -7.089   0.467
   85   HD23  LEU  11          HD23      LEU  11  -2.211  -6.365   0.157
   86    H    ASP  12           HN       ASP  12   2.858  -3.891  -1.551
   87    HA   ASP  12           HA       ASP  12   4.539  -4.375  -3.866
   88    HB2  ASP  12           HB2      ASP  12   4.264  -2.165  -2.513
   89    HB3  ASP  12           HB1      ASP  12   5.460  -2.879  -1.437
   90    H    GLU  13           HN       GLU  13   5.443  -4.549  -0.386
   91    HA   GLU  13           HA       GLU  13   6.936  -6.993  -1.019
   92    HB2  GLU  13           HB2      GLU  13   8.090  -4.630  -0.380
   93    HB3  GLU  13           HB1      GLU  13   7.926  -5.350   1.216
   94    HG2  GLU  13           HG2      GLU  13   9.115  -7.340   0.415
   95    HG3  GLU  13           HG1      GLU  13   9.323  -6.561  -1.152
   96    H    TYR  14           HN       TYR  14   5.941  -5.231   1.881
   97    HA   TYR  14           HA       TYR  14   5.420  -7.704   3.301
   98    HB2  TYR  14           HB2      TYR  14   5.275  -4.807   4.139
   99    HB3  TYR  14           HB1      TYR  14   4.846  -6.140   5.205
  100    HD1  TYR  14           HD1      TYR  14   7.589  -4.390   3.528
  101    HD2  TYR  14           HD2      TYR  14   6.560  -7.614   6.105
  102    HE1  TYR  14           HE1      TYR  14   9.948  -4.609   4.185
  103    HE2  TYR  14           HE2      TYR  14   8.916  -7.842   6.770
  104    HH   TYR  14           HH       TYR  14  11.143  -7.291   5.883
  105    H    GLY  15           HN       GLY  15   3.652  -5.312   1.586
  106    HA2  GLY  15           HA2      GLY  15   1.435  -6.065   0.803
  107    HA3  GLY  15           HA1      GLY  15   1.114  -6.543   2.461
  108    H    CYS  16           HN       CYS  16   2.836  -3.600   1.978
  109    HA   CYS  16           HA       CYS  16   0.372  -2.038   2.315
  110    HB2  CYS  16           HB2      CYS  16   2.120  -2.438   4.371
  111    HB3  CYS  16           HB1      CYS  16   2.759  -0.957   3.667
  112    H    ILE  17           HN       ILE  17   0.184  -0.385   0.995
  113    HA   ILE  17           HA       ILE  17   2.531   0.831  -0.231
  114    HB   ILE  17           HB       ILE  17   1.664  -0.952  -1.757
  115   HG12  ILE  17          HG12      ILE  17   1.423   1.858  -2.873
  116   HG13  ILE  17          HG11      ILE  17   2.929   0.999  -2.613
  117   HG21  ILE  17          HG21      ILE  17  -0.423  -0.547  -3.032
  118   HG22  ILE  17          HG22      ILE  17  -0.809   0.768  -1.923
  119   HG23  ILE  17          HG23      ILE  17  -0.696  -0.885  -1.322
  120   HD11  ILE  17          HD11      ILE  17   2.279   0.947  -4.951
  121   HD12  ILE  17          HD12      ILE  17   0.747   0.185  -4.521
  122   HD13  ILE  17          HD13      ILE  17   2.263  -0.677  -4.262
  123    H    ARG  18           HN       ARG  18   0.270   2.144  -2.013
  124    HA   ARG  18           HA       ARG  18   0.020   4.546  -0.511
  125    HB2  ARG  18           HB2      ARG  18   0.181   4.196  -3.060
  126    HB3  ARG  18           HB1      ARG  18  -1.530   3.808  -2.989
  127    HG2  ARG  18           HG2      ARG  18  -1.804   6.096  -1.849
  128    HG3  ARG  18           HG1      ARG  18  -0.177   6.430  -2.445
  129    HD2  ARG  18           HD2      ARG  18  -1.746   7.286  -4.038
  130    HD3  ARG  18           HD1      ARG  18  -0.972   5.866  -4.739
  131    HE   ARG  18           HE       ARG  18  -3.157   4.754  -3.745
  132   HH11  ARG  18          HH11      ARG  18  -2.876   7.767  -5.534
  133   HH12  ARG  18          HH12      ARG  18  -4.470   7.651  -6.202
  134   HH21  ARG  18          HH21      ARG  18  -5.240   4.628  -4.629
  135   HH22  ARG  18          HH22      ARG  18  -5.806   5.876  -5.689
  136    H    CYS  19           HN       CYS  19  -1.795   1.671  -0.624
  137    HA   CYS  19           HA       CYS  19  -3.912   2.813   0.982
  138    HB2  CYS  19           HB2      CYS  19  -4.755   1.125  -1.349
  139    HB3  CYS  19           HB1      CYS  19  -5.729   2.216  -0.373
  140    H    CYS  20           HN       CYS  20  -3.001  -0.166  -0.716
  141    HA   CYS  20           HA       CYS  20  -3.869  -1.768   1.562
  142    HB2  CYS  20           HB2      CYS  20  -3.956  -2.251  -1.170
  143    HB3  CYS  20           HB1      CYS  20  -2.621  -3.253  -0.624
  Start of MODEL   16
    1    H1   TYR   1           HT1      TYR   1   8.081   2.483  -2.356
    2    H2   TYR   1           HT2      TYR   1   7.873   0.805  -2.341
    3    H3   TYR   1           HT3      TYR   1   7.858   1.671  -0.888
    4    HA   TYR   1           HA       TYR   1   5.886   1.947  -3.073
    5    HB2  TYR   1           HB2      TYR   1   4.370   0.980  -1.113
    6    HB3  TYR   1           HB1      TYR   1   5.241  -0.099  -2.185
    7    HD1  TYR   1           HD1      TYR   1   4.943   1.180   1.223
    8    HD2  TYR   1           HD2      TYR   1   7.231  -1.306  -1.364
    9    HE1  TYR   1           HE1      TYR   1   6.023   0.152   3.175
   10    HE2  TYR   1           HE2      TYR   1   8.315  -2.341   0.583
   11    HH   TYR   1           HH       TYR   1   7.176  -1.945   3.749
   12    H    GLU   2           HN       GLU   2   4.500   2.227  -0.044
   13    HA   GLU   2           HA       GLU   2   4.967   5.109   0.207
   14    HB2  GLU   2           HB2      GLU   2   2.884   4.470  -1.242
   15    HB3  GLU   2           HB1      GLU   2   2.155   4.010   0.285
   16    HG2  GLU   2           HG2      GLU   2   1.410   6.202  -0.240
   17    HG3  GLU   2           HG1      GLU   2   2.546   6.343   1.093
   18    H    THR   3           HN       THR   3   3.482   5.822   2.258
   19    HA   THR   3           HA       THR   3   3.630   3.774   4.345
   20    HB   THR   3           HB       THR   3   4.484   5.673   5.900
   21    HG1  THR   3           HG1      THR   3   5.549   6.563   3.401
   22   HG21  THR   3          HG21      THR   3   6.819   5.030   5.430
   23   HG22  THR   3          HG22      THR   3   6.322   4.358   3.876
   24   HG23  THR   3          HG23      THR   3   5.747   3.630   5.376
   25    H    GLY   4           HN       GLY   4   1.913   3.712   5.529
   26    HA2  GLY   4           HA2      GLY   4   0.328   5.044   6.935
   27    HA3  GLY   4           HA1      GLY   4   0.050   6.007   5.490
   28    H    CYS   5           HN       CYS   5  -0.194   4.141   3.520
   29    HA   CYS   5           HA       CYS   5  -1.751   2.909   2.451
   30    HB2  CYS   5           HB2      CYS   5  -1.533   1.324   5.015
   31    HB3  CYS   5           HB1      CYS   5  -2.414   0.759   3.598
   32    H    LYS   6           HN       LYS   6  -3.464   4.123   2.053
   33    HA   LYS   6           HA       LYS   6  -5.358   5.016   3.937
   34    HB2  LYS   6           HB2      LYS   6  -4.770   5.813   1.493
   35    HB3  LYS   6           HB1      LYS   6  -6.087   4.735   1.056
   36    HG2  LYS   6           HG2      LYS   6  -7.597   5.981   2.523
   37    HG3  LYS   6           HG1      LYS   6  -6.273   7.063   2.963
   38    HD2  LYS   6           HD2      LYS   6  -6.070   7.763   0.625
   39    HD3  LYS   6           HD1      LYS   6  -7.387   6.676   0.182
   40    HE2  LYS   6           HE2      LYS   6  -7.699   8.881   2.208
   41    HE3  LYS   6           HE1      LYS   6  -7.991   9.119   0.486
   42    HZ1  LYS   6           HZ1      LYS   6 -10.037   8.632   1.669
   43    HZ2  LYS   6           HZ2      LYS   6  -9.403   7.167   2.226
   44    HZ3  LYS   6           HZ3      LYS   6  -9.683   7.391   0.574
   45    H    ARG   7           HN       ARG   7  -6.270   2.950   1.222
   46    HA   ARG   7           HA       ARG   7  -7.884   1.315   3.054
   47    HB2  ARG   7           HB2      ARG   7  -9.399   0.969   0.940
   48    HB3  ARG   7           HB1      ARG   7  -9.577   2.428   1.897
   49    HG2  ARG   7           HG2      ARG   7  -8.221   3.659   0.266
   50    HG3  ARG   7           HG1      ARG   7  -8.052   2.192  -0.695
   51    HD2  ARG   7           HD2      ARG   7 -10.487   2.108  -0.978
   52    HD3  ARG   7           HD1      ARG   7 -10.642   3.587  -0.032
   53    HE   ARG   7           HE       ARG   7  -8.900   4.141  -2.119
   54   HH11  ARG   7          HH11      ARG   7 -12.278   3.243  -1.780
   55   HH12  ARG   7          HH12      ARG   7 -12.758   4.052  -3.235
   56   HH21  ARG   7          HH21      ARG   7  -9.551   5.194  -4.019
   57   HH22  ARG   7          HH22      ARG   7 -11.214   5.155  -4.500
   58    H    CYS   8           HN       CYS   8  -7.581   0.666  -0.370
   59    HA   CYS   8           HA       CYS   8  -5.433  -1.218  -0.037
   60    HB2  CYS   8           HB2      CYS   8  -7.440  -2.543   0.652
   61    HB3  CYS   8           HB1      CYS   8  -8.106  -2.288  -0.959
   62    H    CYS   9           HN       CYS   9  -4.168  -0.813  -1.686
   63    HA   CYS   9           HA       CYS   9  -5.371  -0.222  -4.292
   64    HB2  CYS   9           HB2      CYS   9  -3.077   1.024  -2.853
   65    HB3  CYS   9           HB1      CYS   9  -2.998   0.930  -4.611
   66    H    TYR  10           HN       TYR  10  -2.441  -1.524  -2.816
   67    HA   TYR  10           HA       TYR  10  -2.349  -3.788  -4.580
   68    HB2  TYR  10           HB2      TYR  10  -0.945  -1.364  -5.321
   69    HB3  TYR  10           HB1      TYR  10   0.188  -2.687  -5.075
   70    HD1  TYR  10           HD1      TYR  10  -2.345  -1.275  -7.232
   71    HD2  TYR  10           HD2      TYR  10  -0.051  -4.770  -6.443
   72    HE1  TYR  10           HE1      TYR  10  -2.870  -2.120  -9.480
   73    HE2  TYR  10           HE2      TYR  10  -0.571  -5.626  -8.690
   74    HH   TYR  10           HH       TYR  10  -2.292  -5.326 -10.422
   75    H    LEU  11           HN       LEU  11  -0.096  -4.958  -4.283
   76    HA   LEU  11           HA       LEU  11   0.843  -4.575  -1.520
   77    HB2  LEU  11           HB2      LEU  11   0.526  -7.223  -2.940
   78    HB3  LEU  11           HB1      LEU  11   1.039  -6.982  -1.281
   79    HG   LEU  11           HG       LEU  11  -1.654  -6.019  -2.171
   80   HD11  LEU  11          HD11      LEU  11  -0.975  -8.822  -1.315
   81   HD12  LEU  11          HD12      LEU  11  -1.543  -8.319  -2.908
   82   HD13  LEU  11          HD13      LEU  11  -2.603  -8.170  -1.506
   83   HD21  LEU  11          HD21      LEU  11  -2.220  -6.323   0.154
   84   HD22  LEU  11          HD22      LEU  11  -0.754  -5.351   0.029
   85   HD23  LEU  11          HD23      LEU  11  -0.648  -7.053   0.476
   86    H    ASP  12           HN       ASP  12   2.854  -3.889  -1.554
   87    HA   ASP  12           HA       ASP  12   4.540  -4.380  -3.863
   88    HB2  ASP  12           HB2      ASP  12   4.268  -2.170  -2.507
   89    HB3  ASP  12           HB1      ASP  12   5.461  -2.889  -1.431
   90    H    GLU  13           HN       GLU  13   5.445  -4.555  -0.385
   91    HA   GLU  13           HA       GLU  13   6.928  -7.005  -1.016
   92    HB2  GLU  13           HB2      GLU  13   8.091  -4.645  -0.383
   93    HB3  GLU  13           HB1      GLU  13   7.928  -5.361   1.215
   94    HG2  GLU  13           HG2      GLU  13   9.108  -7.357   0.415
   95    HG3  GLU  13           HG1      GLU  13   9.318  -6.580  -1.153
   96    H    TYR  14           HN       TYR  14   5.940  -5.232   1.879
   97    HA   TYR  14           HA       TYR  14   5.415  -7.697   3.310
   98    HB2  TYR  14           HB2      TYR  14   5.265  -4.795   4.134
   99    HB3  TYR  14           HB1      TYR  14   4.842  -6.124   5.207
  100    HD1  TYR  14           HD1      TYR  14   6.558  -7.584   6.118
  101    HD2  TYR  14           HD2      TYR  14   7.579  -4.377   3.514
  102    HE1  TYR  14           HE1      TYR  14   8.916  -7.802   6.783
  103    HE2  TYR  14           HE2      TYR  14   9.939  -4.588   4.171
  104    HH   TYR  14           HH       TYR  14  11.256  -5.456   6.058
  105    H    GLY  15           HN       GLY  15   3.650  -5.310   1.583
  106    HA2  GLY  15           HA2      GLY  15   1.434  -6.059   0.799
  107    HA3  GLY  15           HA1      GLY  15   1.111  -6.541   2.456
  108    H    CYS  16           HN       CYS  16   2.832  -3.597   1.960
  109    HA   CYS  16           HA       CYS  16   0.372  -2.032   2.308
  110    HB2  CYS  16           HB2      CYS  16   2.121  -2.438   4.362
  111    HB3  CYS  16           HB1      CYS  16   2.762  -0.956   3.660
  112    H    ILE  17           HN       ILE  17   0.185  -0.377   0.990
  113    HA   ILE  17           HA       ILE  17   2.535   0.839  -0.232
  114    HB   ILE  17           HB       ILE  17   1.675  -0.937  -1.767
  115   HG12  ILE  17          HG12      ILE  17   1.412   1.875  -2.875
  116   HG13  ILE  17          HG11      ILE  17   2.925   1.029  -2.615
  117   HG21  ILE  17          HG21      ILE  17  -0.809   0.768  -1.916
  118   HG22  ILE  17          HG22      ILE  17  -0.683  -0.890  -1.331
  119   HG23  ILE  17          HG23      ILE  17  -0.416  -0.536  -3.038
  120   HD11  ILE  17          HD11      ILE  17   2.269   0.977  -4.955
  121   HD12  ILE  17          HD12      ILE  17   0.751   0.192  -4.522
  122   HD13  ILE  17          HD13      ILE  17   2.280  -0.648  -4.269
  123    H    ARG  18           HN       ARG  18   0.256   2.147  -2.008
  124    HA   ARG  18           HA       ARG  18   0.013   4.548  -0.499
  125    HB2  ARG  18           HB2      ARG  18   0.175   4.211  -3.049
  126    HB3  ARG  18           HB1      ARG  18  -1.536   3.822  -2.980
  127    HG2  ARG  18           HG2      ARG  18  -1.791   6.110  -1.813
  128    HG3  ARG  18           HG1      ARG  18  -0.179   6.442  -2.449
  129    HD2  ARG  18           HD2      ARG  18  -1.780   7.299  -4.007
  130    HD3  ARG  18           HD1      ARG  18  -1.036   5.871  -4.722
  131    HE   ARG  18           HE       ARG  18  -3.186   4.758  -3.702
  132   HH11  ARG  18          HH11      ARG  18  -2.987   7.843  -5.374
  133   HH12  ARG  18          HH12      ARG  18  -4.612   7.754  -5.970
  134   HH21  ARG  18          HH21      ARG  18  -5.309   4.666  -4.493
  135   HH22  ARG  18          HH22      ARG  18  -5.923   5.957  -5.469
  136    H    CYS  19           HN       CYS  19  -1.796   1.671  -0.619
  137    HA   CYS  19           HA       CYS  19  -3.917   2.807   0.986
  138    HB2  CYS  19           HB2      CYS  19  -4.754   1.121  -1.349
  139    HB3  CYS  19           HB1      CYS  19  -5.732   2.208  -0.370
  140    H    CYS  20           HN       CYS  20  -3.011  -0.171  -0.716
  141    HA   CYS  20           HA       CYS  20  -3.871  -1.773   1.564
  142    HB2  CYS  20           HB2      CYS  20  -3.956  -2.258  -1.171
  143    HB3  CYS  20           HB1      CYS  20  -2.623  -3.261  -0.620
  Start of MODEL   17
    1    H1   TYR   1           HT1      TYR   1   7.719   2.702  -2.398
    2    H2   TYR   1           HT2      TYR   1   7.614   1.016  -2.476
    3    H3   TYR   1           HT3      TYR   1   7.663   1.791  -0.973
    4    HA   TYR   1           HA       TYR   1   5.511   2.075  -2.979
    5    HB2  TYR   1           HB2      TYR   1   4.213   0.894  -0.978
    6    HB3  TYR   1           HB1      TYR   1   5.051  -0.059  -2.188
    7    HD1  TYR   1           HD1      TYR   1   4.895   0.893   1.319
    8    HD2  TYR   1           HD2      TYR   1   7.233  -1.119  -1.612
    9    HE1  TYR   1           HE1      TYR   1   6.181  -0.198   3.102
   10    HE2  TYR   1           HE2      TYR   1   8.524  -2.217   0.165
   11    HH   TYR   1           HH       TYR   1   9.087  -1.851   2.529
   12    H    GLU   2           HN       GLU   2   4.527   2.070   0.269
   13    HA   GLU   2           HA       GLU   2   4.743   4.975   0.561
   14    HB2  GLU   2           HB2      GLU   2   2.490   4.017  -0.514
   15    HB3  GLU   2           HB1      GLU   2   2.095   3.727   1.172
   16    HG2  GLU   2           HG2      GLU   2   1.170   5.806   0.773
   17    HG3  GLU   2           HG1      GLU   2   2.716   6.208   1.514
   18    H    THR   3           HN       THR   3   3.164   5.257   2.838
   19    HA   THR   3           HA       THR   3   4.204   3.362   4.812
   20    HB   THR   3           HB       THR   3   4.602   5.462   6.300
   21    HG1  THR   3           HG1      THR   3   5.371   6.708   3.908
   22   HG21  THR   3          HG21      THR   3   6.518   4.729   4.067
   23   HG22  THR   3          HG22      THR   3   6.378   3.903   5.619
   24   HG23  THR   3          HG23      THR   3   6.955   5.568   5.555
   25    H    GLY   4           HN       GLY   4   2.033   5.959   4.014
   26    HA2  GLY   4           HA2      GLY   4   0.478   5.998   6.373
   27    HA3  GLY   4           HA1      GLY   4  -0.014   6.630   4.814
   28    H    CYS   5           HN       CYS   5  -0.236   4.450   3.212
   29    HA   CYS   5           HA       CYS   5  -1.690   2.835   2.577
   30    HB2  CYS   5           HB2      CYS   5  -1.350   1.818   5.412
   31    HB3  CYS   5           HB1      CYS   5  -1.979   0.892   4.053
   32    H    LYS   6           HN       LYS   6  -3.571   3.783   2.108
   33    HA   LYS   6           HA       LYS   6  -5.388   4.736   4.120
   34    HB2  LYS   6           HB2      LYS   6  -4.904   5.637   1.691
   35    HB3  LYS   6           HB1      LYS   6  -6.164   4.496   1.246
   36    HG2  LYS   6           HG2      LYS   6  -7.716   5.605   2.776
   37    HG3  LYS   6           HG1      LYS   6  -6.449   6.749   3.229
   38    HD2  LYS   6           HD2      LYS   6  -6.331   7.529   0.909
   39    HD3  LYS   6           HD1      LYS   6  -7.597   6.384   0.460
   40    HE2  LYS   6           HE2      LYS   6  -9.149   7.506   1.985
   41    HE3  LYS   6           HE1      LYS   6  -7.882   8.648   2.435
   42    HZ1  LYS   6           HZ1      LYS   6  -9.030   8.318  -0.286
   43    HZ2  LYS   6           HZ2      LYS   6  -7.814   9.414   0.142
   44    HZ3  LYS   6           HZ3      LYS   6  -9.370   9.586   0.783
   45    H    ARG   7           HN       ARG   7  -6.324   2.751   1.359
   46    HA   ARG   7           HA       ARG   7  -7.789   0.973   3.187
   47    HB2  ARG   7           HB2      ARG   7  -9.283   0.558   1.062
   48    HB3  ARG   7           HB1      ARG   7  -9.563   1.976   2.057
   49    HG2  ARG   7           HG2      ARG   7  -8.255   3.322   0.447
   50    HG3  ARG   7           HG1      ARG   7  -8.082   1.891  -0.568
   51    HD2  ARG   7           HD2      ARG   7 -10.518   1.747  -0.774
   52    HD3  ARG   7           HD1      ARG   7 -10.685   3.184   0.233
   53    HE   ARG   7           HE       ARG   7  -9.032   3.860  -1.896
   54   HH11  ARG   7          HH11      ARG   7 -12.376   2.884  -1.453
   55   HH12  ARG   7          HH12      ARG   7 -12.931   3.741  -2.851
   56   HH21  ARG   7          HH21      ARG   7  -9.781   4.974  -3.722
   57   HH22  ARG   7          HH22      ARG   7 -11.462   4.923  -4.135
   58    H    CYS   8           HN       CYS   8  -7.341   0.486  -0.265
   59    HA   CYS   8           HA       CYS   8  -5.051  -1.134  -0.070
   60    HB2  CYS   8           HB2      CYS   8  -7.632  -2.540   0.152
   61    HB3  CYS   8           HB1      CYS   8  -6.478  -3.228  -0.990
   62    H    CYS   9           HN       CYS   9  -4.020  -0.836  -1.784
   63    HA   CYS   9           HA       CYS   9  -5.440  -0.454  -4.319
   64    HB2  CYS   9           HB2      CYS   9  -3.148   0.957  -3.056
   65    HB3  CYS   9           HB1      CYS   9  -3.105   0.760  -4.805
   66    H    TYR  10           HN       TYR  10  -2.337  -1.490  -2.998
   67    HA   TYR  10           HA       TYR  10  -2.260  -3.854  -4.649
   68    HB2  TYR  10           HB2      TYR  10  -0.958  -1.430  -5.524
   69    HB3  TYR  10           HB1      TYR  10   0.242  -2.681  -5.218
   70    HD1  TYR  10           HD1      TYR  10  -2.552  -1.636  -7.309
   71    HD2  TYR  10           HD2      TYR  10   0.255  -4.733  -6.531
   72    HE1  TYR  10           HE1      TYR  10  -3.072  -2.646  -9.494
   73    HE2  TYR  10           HE2      TYR  10  -0.254  -5.754  -8.714
   74    HH   TYR  10           HH       TYR  10  -2.010  -4.145 -11.129
   75    H    LEU  11           HN       LEU  11  -0.015  -4.985  -4.333
   76    HA   LEU  11           HA       LEU  11   0.952  -4.508  -1.592
   77    HB2  LEU  11           HB2      LEU  11   0.574  -7.200  -2.911
   78    HB3  LEU  11           HB1      LEU  11   1.151  -6.917  -1.281
   79    HG   LEU  11           HG       LEU  11  -1.303  -5.605  -1.381
   80   HD11  LEU  11          HD11      LEU  11  -1.811  -6.697  -3.481
   81   HD12  LEU  11          HD12      LEU  11  -2.859  -7.291  -2.192
   82   HD13  LEU  11          HD13      LEU  11  -1.504  -8.273  -2.752
   83   HD21  LEU  11          HD21      LEU  11  -0.387  -8.222  -0.236
   84   HD22  LEU  11          HD22      LEU  11  -2.033  -7.638  -0.006
   85   HD23  LEU  11          HD23      LEU  11  -0.674  -6.688   0.587
   86    H    ASP  12           HN       ASP  12   2.976  -3.843  -1.674
   87    HA   ASP  12           HA       ASP  12   4.634  -4.491  -3.973
   88    HB2  ASP  12           HB2      ASP  12   4.378  -2.179  -2.798
   89    HB3  ASP  12           HB1      ASP  12   5.571  -2.814  -1.669
   90    H    GLU  13           HN       GLU  13   5.285  -4.567  -0.427
   91    HA   GLU  13           HA       GLU  13   6.989  -6.912  -0.927
   92    HB2  GLU  13           HB2      GLU  13   7.530  -4.555   0.860
   93    HB3  GLU  13           HB1      GLU  13   8.359  -6.089   1.075
   94    HG2  GLU  13           HG2      GLU  13   8.376  -4.642  -1.553
   95    HG3  GLU  13           HG1      GLU  13   9.532  -4.269  -0.275
   96    H    TYR  14           HN       TYR  14   5.924  -5.314   2.030
   97    HA   TYR  14           HA       TYR  14   5.270  -7.835   3.267
   98    HB2  TYR  14           HB2      TYR  14   5.050  -4.988   4.255
   99    HB3  TYR  14           HB1      TYR  14   4.643  -6.396   5.231
  100    HD1  TYR  14           HD1      TYR  14   7.363  -4.460   3.724
  101    HD2  TYR  14           HD2      TYR  14   6.386  -7.863   6.084
  102    HE1  TYR  14           HE1      TYR  14   9.713  -4.642   4.425
  103    HE2  TYR  14           HE2      TYR  14   8.733  -8.055   6.790
  104    HH   TYR  14           HH       TYR  14  10.958  -7.381   5.990
  105    H    GLY  15           HN       GLY  15   3.589  -5.298   1.660
  106    HA2  GLY  15           HA2      GLY  15   1.422  -6.014   0.703
  107    HA3  GLY  15           HA1      GLY  15   1.008  -6.577   2.312
  108    H    CYS  16           HN       CYS  16   2.678  -3.564   1.598
  109    HA   CYS  16           HA       CYS  16   0.234  -2.039   2.118
  110    HB2  CYS  16           HB2      CYS  16   2.151  -2.410   4.097
  111    HB3  CYS  16           HB1      CYS  16   2.546  -0.832   3.425
  112    H    ILE  17           HN       ILE  17  -0.017  -0.481   0.724
  113    HA   ILE  17           HA       ILE  17   2.294   0.883  -0.426
  114    HB   ILE  17           HB       ILE  17   1.437  -0.981  -1.947
  115   HG12  ILE  17          HG12      ILE  17   1.493   1.845  -3.049
  116   HG13  ILE  17          HG11      ILE  17   2.895   0.844  -2.726
  117   HG21  ILE  17          HG21      ILE  17  -0.951  -0.707  -1.645
  118   HG22  ILE  17          HG22      ILE  17  -0.529  -0.500  -3.344
  119   HG23  ILE  17          HG23      ILE  17  -0.882   0.911  -2.347
  120   HD11  ILE  17          HD11      ILE  17   0.758   0.278  -4.772
  121   HD12  ILE  17          HD12      ILE  17   2.171  -0.729  -4.455
  122   HD13  ILE  17          HD13      ILE  17   2.375   0.901  -5.098
  123    H    ARG  18           HN       ARG  18   0.483   2.359  -2.264
  124    HA   ARG  18           HA       ARG  18  -0.024   4.675  -0.851
  125    HB2  ARG  18           HB2      ARG  18   0.143   4.216  -3.375
  126    HB3  ARG  18           HB1      ARG  18  -1.566   3.820  -3.293
  127    HG2  ARG  18           HG2      ARG  18  -1.841   6.159  -2.239
  128    HG3  ARG  18           HG1      ARG  18  -0.227   6.472  -2.881
  129    HD2  ARG  18           HD2      ARG  18  -1.849   7.241  -4.477
  130    HD3  ARG  18           HD1      ARG  18  -1.053   5.809  -5.129
  131    HE   ARG  18           HE       ARG  18  -3.208   4.709  -4.033
  132   HH11  ARG  18          HH11      ARG  18  -2.979   7.586  -6.039
  133   HH12  ARG  18          HH12      ARG  18  -4.570   7.394  -6.696
  134   HH21  ARG  18          HH21      ARG  18  -5.289   4.483  -4.906
  135   HH22  ARG  18          HH22      ARG  18  -5.876   5.639  -6.054
  136    H    CYS  19           HN       CYS  19  -1.873   1.808  -0.787
  137    HA   CYS  19           HA       CYS  19  -4.020   3.128   0.654
  138    HB2  CYS  19           HB2      CYS  19  -4.700   1.126  -1.483
  139    HB3  CYS  19           HB1      CYS  19  -5.782   2.220  -0.634
  140    H    CYS  20           HN       CYS  20  -2.913  -0.009  -0.542
  141    HA   CYS  20           HA       CYS  20  -4.066  -1.493   1.620
  142    HB2  CYS  20           HB2      CYS  20  -3.303  -2.147  -0.901
  143    HB3  CYS  20           HB1      CYS  20  -1.939  -2.764   0.015
  Start of MODEL   18
    1    H1   TYR   1           HT1      TYR   1   7.682   0.984  -2.439
    2    H2   TYR   1           HT2      TYR   1   7.718   1.775  -0.945
    3    H3   TYR   1           HT3      TYR   1   7.776   2.673  -2.377
    4    HA   TYR   1           HA       TYR   1   5.576   2.025  -2.965
    5    HB2  TYR   1           HB2      TYR   1   4.277   0.856  -0.948
    6    HB3  TYR   1           HB1      TYR   1   5.110  -0.096  -2.163
    7    HD1  TYR   1           HD1      TYR   1   4.969   0.853   1.344
    8    HD2  TYR   1           HD2      TYR   1   7.302  -1.148  -1.600
    9    HE1  TYR   1           HE1      TYR   1   6.270  -0.233   3.120
   10    HE2  TYR   1           HE2      TYR   1   8.608  -2.239   0.173
   11    HH   TYR   1           HH       TYR   1   9.181  -1.871   2.533
   12    H    GLU   2           HN       GLU   2   4.570   2.047   0.277
   13    HA   GLU   2           HA       GLU   2   4.768   4.957   0.538
   14    HB2  GLU   2           HB2      GLU   2   2.532   3.977  -0.549
   15    HB3  GLU   2           HB1      GLU   2   2.120   3.698   1.136
   16    HG2  GLU   2           HG2      GLU   2   1.179   5.768   0.659
   17    HG3  GLU   2           HG1      GLU   2   2.679   6.173   1.489
   18    H    THR   3           HN       THR   3   3.177   5.261   2.799
   19    HA   THR   3           HA       THR   3   4.204   3.389   4.801
   20    HB   THR   3           HB       THR   3   4.590   5.506   6.269
   21    HG1  THR   3           HG1      THR   3   5.374   6.726   3.868
   22   HG21  THR   3          HG21      THR   3   6.522   4.748   4.057
   23   HG22  THR   3          HG22      THR   3   6.371   3.942   5.618
   24   HG23  THR   3          HG23      THR   3   6.949   5.606   5.538
   25    H    GLY   4           HN       GLY   4   2.035   5.976   3.960
   26    HA2  GLY   4           HA2      GLY   4   0.467   6.056   6.305
   27    HA3  GLY   4           HA1      GLY   4  -0.022   6.645   4.727
   28    H    CYS   5           HN       CYS   5  -0.238   4.435   3.178
   29    HA   CYS   5           HA       CYS   5  -1.682   2.795   2.581
   30    HB2  CYS   5           HB2      CYS   5  -1.310   1.836   5.432
   31    HB3  CYS   5           HB1      CYS   5  -1.951   0.880   4.100
   32    H    LYS   6           HN       LYS   6  -3.563   3.732   2.104
   33    HA   LYS   6           HA       LYS   6  -5.389   4.707   4.093
   34    HB2  LYS   6           HB2      LYS   6  -4.914   5.547   1.642
   35    HB3  LYS   6           HB1      LYS   6  -6.160   4.382   1.225
   36    HG2  LYS   6           HG2      LYS   6  -7.727   5.514   2.723
   37    HG3  LYS   6           HG1      LYS   6  -6.474   6.682   3.148
   38    HD2  LYS   6           HD2      LYS   6  -6.359   7.404   0.810
   39    HD3  LYS   6           HD1      LYS   6  -7.612   6.235   0.388
   40    HE2  LYS   6           HE2      LYS   6  -9.178   7.380   1.879
   41    HE3  LYS   6           HE1      LYS   6  -7.925   8.545   2.303
   42    HZ1  LYS   6           HZ1      LYS   6  -7.856   9.255  -0.006
   43    HZ2  LYS   6           HZ2      LYS   6  -9.416   9.425   0.623
   44    HZ3  LYS   6           HZ3      LYS   6  -9.060   8.137  -0.412
   45    H    ARG   7           HN       ARG   7  -6.340   2.662   1.384
   46    HA   ARG   7           HA       ARG   7  -7.736   0.879   3.259
   47    HB2  ARG   7           HB2      ARG   7  -9.315   0.470   1.193
   48    HB3  ARG   7           HB1      ARG   7  -9.562   1.876   2.213
   49    HG2  ARG   7           HG2      ARG   7  -8.390   3.270   0.577
   50    HG3  ARG   7           HG1      ARG   7  -8.135   1.856  -0.445
   51    HD2  ARG   7           HD2      ARG   7 -10.558   1.572  -0.649
   52    HD3  ARG   7           HD1      ARG   7 -10.809   2.989   0.370
   53    HE   ARG   7           HE       ARG   7  -9.197   3.754  -1.773
   54   HH11  ARG   7          HH11      ARG   7 -12.500   2.672  -1.265
   55   HH12  ARG   7          HH12      ARG   7 -13.112   3.525  -2.641
   56   HH21  ARG   7          HH21      ARG   7 -10.022   4.863  -3.570
   57   HH22  ARG   7          HH22      ARG   7 -11.710   4.764  -3.945
   58    H    CYS   8           HN       CYS   8  -7.397   0.442  -0.215
   59    HA   CYS   8           HA       CYS   8  -5.137  -1.270  -0.035
   60    HB2  CYS   8           HB2      CYS   8  -7.036  -2.770   0.767
   61    HB3  CYS   8           HB1      CYS   8  -7.640  -2.705  -0.888
   62    H    CYS   9           HN       CYS   9  -4.022  -0.911  -1.742
   63    HA   CYS   9           HA       CYS   9  -5.386  -0.375  -4.283
   64    HB2  CYS   9           HB2      CYS   9  -3.168   1.037  -2.915
   65    HB3  CYS   9           HB1      CYS   9  -3.016   0.849  -4.657
   66    H    TYR  10           HN       TYR  10  -2.364  -1.517  -2.883
   67    HA   TYR  10           HA       TYR  10  -2.210  -3.772  -4.651
   68    HB2  TYR  10           HB2      TYR  10  -1.000  -1.325  -5.477
   69    HB3  TYR  10           HB1      TYR  10   0.291  -2.451  -5.069
   70    HD1  TYR  10           HD1      TYR  10  -2.493  -1.747  -7.321
   71    HD2  TYR  10           HD2      TYR  10   0.609  -4.484  -6.345
   72    HE1  TYR  10           HE1      TYR  10  -2.786  -2.845  -9.507
   73    HE2  TYR  10           HE2      TYR  10   0.329  -5.594  -8.528
   74    HH   TYR  10           HH       TYR  10  -1.407  -5.855 -10.250
   75    H    LEU  11           HN       LEU  11   0.070  -4.867  -4.357
   76    HA   LEU  11           HA       LEU  11   1.002  -4.503  -1.589
   77    HB2  LEU  11           HB2      LEU  11   0.590  -7.155  -2.977
   78    HB3  LEU  11           HB1      LEU  11   1.177  -6.924  -1.342
   79    HG   LEU  11           HG       LEU  11  -1.229  -5.589  -1.311
   80   HD11  LEU  11          HD11      LEU  11  -1.559  -8.086  -2.955
   81   HD12  LEU  11          HD12      LEU  11  -1.792  -6.430  -3.515
   82   HD13  LEU  11          HD13      LEU  11  -2.862  -7.104  -2.285
   83   HD21  LEU  11          HD21      LEU  11  -2.032  -7.730  -0.155
   84   HD22  LEU  11          HD22      LEU  11  -0.628  -6.910   0.518
   85   HD23  LEU  11          HD23      LEU  11  -0.414  -8.352  -0.472
   86    H    ASP  12           HN       ASP  12   3.023  -3.824  -1.681
   87    HA   ASP  12           HA       ASP  12   4.683  -4.487  -3.979
   88    HB2  ASP  12           HB2      ASP  12   4.417  -2.160  -2.843
   89    HB3  ASP  12           HB1      ASP  12   5.601  -2.773  -1.695
   90    H    GLU  13           HN       GLU  13   5.265  -4.559  -0.422
   91    HA   GLU  13           HA       GLU  13   7.037  -6.850  -0.886
   92    HB2  GLU  13           HB2      GLU  13   7.909  -4.432  -0.082
   93    HB3  GLU  13           HB1      GLU  13   7.566  -5.164   1.480
   94    HG2  GLU  13           HG2      GLU  13   9.001  -7.060   0.878
   95    HG3  GLU  13           HG1      GLU  13   9.379  -6.263  -0.648
   96    H    TYR  14           HN       TYR  14   5.852  -5.348   2.075
   97    HA   TYR  14           HA       TYR  14   5.152  -7.916   3.196
   98    HB2  TYR  14           HB2      TYR  14   4.990  -5.107   4.292
   99    HB3  TYR  14           HB1      TYR  14   4.480  -6.527   5.198
  100    HD1  TYR  14           HD1      TYR  14   7.343  -4.672   3.872
  101    HD2  TYR  14           HD2      TYR  14   6.116  -8.107   6.063
  102    HE1  TYR  14           HE1      TYR  14   9.653  -4.992   4.654
  103    HE2  TYR  14           HE2      TYR  14   8.421  -8.436   6.851
  104    HH   TYR  14           HH       TYR  14  10.706  -7.842   6.162
  105    H    GLY  15           HN       GLY  15   3.543  -5.289   1.658
  106    HA2  GLY  15           HA2      GLY  15   1.379  -5.949   0.637
  107    HA3  GLY  15           HA1      GLY  15   0.928  -6.543   2.224
  108    H    CYS  16           HN       CYS  16   2.667  -3.548   1.618
  109    HA   CYS  16           HA       CYS  16   0.244  -1.995   2.157
  110    HB2  CYS  16           HB2      CYS  16   2.154  -2.433   4.123
  111    HB3  CYS  16           HB1      CYS  16   2.588  -0.855   3.474
  112    H    ILE  17           HN       ILE  17   0.001  -0.486   0.710
  113    HA   ILE  17           HA       ILE  17   2.319   0.915  -0.384
  114    HB   ILE  17           HB       ILE  17   1.542  -0.970  -1.913
  115   HG12  ILE  17          HG12      ILE  17   1.694   1.895  -2.893
  116   HG13  ILE  17          HG11      ILE  17   3.009   0.748  -2.735
  117   HG21  ILE  17          HG21      ILE  17  -0.858  -0.751  -1.658
  118   HG22  ILE  17          HG22      ILE  17  -0.412  -0.544  -3.352
  119   HG23  ILE  17          HG23      ILE  17  -0.815   0.864  -2.369
  120   HD11  ILE  17          HD11      ILE  17   0.750   0.571  -4.720
  121   HD12  ILE  17          HD12      ILE  17   2.080  -0.578  -4.567
  122   HD13  ILE  17          HD13      ILE  17   2.403   1.085  -5.061
  123    H    ARG  18           HN       ARG  18   0.464   2.281  -2.302
  124    HA   ARG  18           HA       ARG  18  -0.060   4.649  -0.998
  125    HB2  ARG  18           HB2      ARG  18  -0.992   3.369  -3.529
  126    HB3  ARG  18           HB1      ARG  18  -1.719   4.891  -3.032
  127    HG2  ARG  18           HG2      ARG  18   0.374   6.017  -3.131
  128    HG3  ARG  18           HG1      ARG  18   1.250   4.496  -3.314
  129    HD2  ARG  18           HD2      ARG  18  -0.769   5.510  -5.310
  130    HD3  ARG  18           HD1      ARG  18   0.959   5.841  -5.422
  131    HE   ARG  18           HE       ARG  18   0.300   3.040  -5.205
  132   HH11  ARG  18          HH11      ARG  18   0.809   5.691  -7.453
  133   HH12  ARG  18          HH12      ARG  18   1.171   4.644  -8.784
  134   HH21  ARG  18          HH21      ARG  18   0.781   1.690  -6.961
  135   HH22  ARG  18          HH22      ARG  18   1.155   2.381  -8.504
  136    H    CYS  19           HN       CYS  19  -1.906   1.774  -0.801
  137    HA   CYS  19           HA       CYS  19  -4.003   3.144   0.657
  138    HB2  CYS  19           HB2      CYS  19  -4.767   1.160  -1.470
  139    HB3  CYS  19           HB1      CYS  19  -5.822   2.232  -0.562
  140    H    CYS  20           HN       CYS  20  -2.923  -0.022  -0.505
  141    HA   CYS  20           HA       CYS  20  -4.073  -1.411   1.735
  142    HB2  CYS  20           HB2      CYS  20  -3.369  -2.210  -0.796
  143    HB3  CYS  20           HB1      CYS  20  -2.066  -2.884   0.175
  Start of MODEL   19
    1    H1   TYR   1           HT1      TYR   1   7.686   1.794  -0.884
    2    H2   TYR   1           HT2      TYR   1   7.779   2.699  -2.309
    3    H3   TYR   1           HT3      TYR   1   7.668   1.013  -2.385
    4    HA   TYR   1           HA       TYR   1   5.581   2.079  -2.939
    5    HB2  TYR   1           HB2      TYR   1   4.233   0.915  -0.960
    6    HB3  TYR   1           HB1      TYR   1   5.087  -0.047  -2.153
    7    HD1  TYR   1           HD1      TYR   1   4.859   0.899   1.351
    8    HD2  TYR   1           HD2      TYR   1   7.264  -1.108  -1.532
    9    HE1  TYR   1           HE1      TYR   1   6.105  -0.200   3.160
   10    HE2  TYR   1           HE2      TYR   1   8.513  -2.213   0.273
   11    HH   TYR   1           HH       TYR   1   7.466  -2.218   3.497
   12    H    GLU   2           HN       GLU   2   4.566   2.089   0.307
   13    HA   GLU   2           HA       GLU   2   4.756   4.999   0.573
   14    HB2  GLU   2           HB2      GLU   2   2.515   4.010  -0.500
   15    HB3  GLU   2           HB1      GLU   2   2.117   3.734   1.189
   16    HG2  GLU   2           HG2      GLU   2   1.176   5.801   0.769
   17    HG3  GLU   2           HG1      GLU   2   2.719   6.224   1.506
   18    H    THR   3           HN       THR   3   3.170   5.290   2.841
   19    HA   THR   3           HA       THR   3   4.217   3.421   4.836
   20    HB   THR   3           HB       THR   3   4.595   5.539   6.305
   21    HG1  THR   3           HG1      THR   3   5.364   6.761   3.900
   22   HG21  THR   3          HG21      THR   3   6.951   5.650   5.571
   23   HG22  THR   3          HG22      THR   3   6.526   4.794   4.088
   24   HG23  THR   3          HG23      THR   3   6.381   3.983   5.647
   25    H    GLY   4           HN       GLY   4   2.030   5.993   4.003
   26    HA2  GLY   4           HA2      GLY   4   0.468   6.047   6.358
   27    HA3  GLY   4           HA1      GLY   4  -0.021   6.661   4.791
   28    H    CYS   5           HN       CYS   5  -0.230   4.466   3.210
   29    HA   CYS   5           HA       CYS   5  -1.676   2.835   2.588
   30    HB2  CYS   5           HB2      CYS   5  -1.328   1.855   5.436
   31    HB3  CYS   5           HB1      CYS   5  -1.971   0.912   4.096
   32    H    LYS   6           HN       LYS   6  -3.559   3.772   2.105
   33    HA   LYS   6           HA       LYS   6  -5.385   4.737   4.104
   34    HB2  LYS   6           HB2      LYS   6  -4.896   5.630   1.678
   35    HB3  LYS   6           HB1      LYS   6  -6.140   4.475   1.225
   36    HG2  LYS   6           HG2      LYS   6  -7.717   5.576   2.736
   37    HG3  LYS   6           HG1      LYS   6  -6.467   6.734   3.195
   38    HD2  LYS   6           HD2      LYS   6  -6.334   7.506   0.874
   39    HD3  LYS   6           HD1      LYS   6  -7.581   6.345   0.416
   40    HE2  LYS   6           HE2      LYS   6  -8.012   8.475   2.499
   41    HE3  LYS   6           HE1      LYS   6  -8.342   8.734   0.788
   42    HZ1  LYS   6           HZ1      LYS   6 -10.336   8.084   1.983
   43    HZ2  LYS   6           HZ2      LYS   6  -9.598   6.651   2.494
   44    HZ3  LYS   6           HZ3      LYS   6  -9.915   6.897   0.851
   45    H    ARG   7           HN       ARG   7  -6.306   2.729   1.355
   46    HA   ARG   7           HA       ARG   7  -7.766   0.957   3.191
   47    HB2  ARG   7           HB2      ARG   7  -9.265   0.534   1.071
   48    HB3  ARG   7           HB1      ARG   7  -9.546   1.950   2.065
   49    HG2  ARG   7           HG2      ARG   7  -8.263   3.306   0.452
   50    HG3  ARG   7           HG1      ARG   7  -8.059   1.874  -0.558
   51    HD2  ARG   7           HD2      ARG   7 -10.492   1.689  -0.778
   52    HD3  ARG   7           HD1      ARG   7 -10.688   3.128   0.221
   53    HE   ARG   7           HE       ARG   7  -9.036   3.837  -1.888
   54   HH11  ARG   7          HH11      ARG   7 -12.352   2.745  -1.506
   55   HH12  ARG   7          HH12      ARG   7 -12.908   3.571  -2.923
   56   HH21  ARG   7          HH21      ARG   7  -9.787   4.910  -3.739
   57   HH22  ARG   7          HH22      ARG   7 -11.456   4.795  -4.185
   58    H    CYS   8           HN       CYS   8  -7.320   0.467  -0.260
   59    HA   CYS   8           HA       CYS   8  -5.030  -1.150  -0.070
   60    HB2  CYS   8           HB2      CYS   8  -7.610  -2.560   0.150
   61    HB3  CYS   8           HB1      CYS   8  -6.448  -3.248  -0.983
   62    H    CYS   9           HN       CYS   9  -4.002  -0.865  -1.791
   63    HA   CYS   9           HA       CYS   9  -5.434  -0.458  -4.314
   64    HB2  CYS   9           HB2      CYS   9  -3.128   0.924  -3.054
   65    HB3  CYS   9           HB1      CYS   9  -3.076   0.723  -4.803
   66    H    TYR  10           HN       TYR  10  -2.340  -1.549  -3.019
   67    HA   TYR  10           HA       TYR  10  -2.300  -3.897  -4.698
   68    HB2  TYR  10           HB2      TYR  10  -0.923  -1.471  -5.495
   69    HB3  TYR  10           HB1      TYR  10   0.211  -2.797  -5.268
   70    HD1  TYR  10           HD1      TYR  10  -2.503  -1.474  -7.303
   71    HD2  TYR  10           HD2      TYR  10   0.049  -4.817  -6.668
   72    HE1  TYR  10           HE1      TYR  10  -3.100  -2.344  -9.524
   73    HE2  TYR  10           HE2      TYR  10  -0.541  -5.698  -8.888
   74    HH   TYR  10           HH       TYR  10  -2.371  -5.504 -10.519
   75    H    LEU  11           HN       LEU  11  -0.067  -5.061  -4.392
   76    HA   LEU  11           HA       LEU  11   0.862  -4.651  -1.629
   77    HB2  LEU  11           HB2      LEU  11   0.664  -7.298  -3.067
   78    HB3  LEU  11           HB1      LEU  11   1.086  -7.042  -1.384
   79    HG   LEU  11           HG       LEU  11  -1.584  -6.148  -2.396
   80   HD11  LEU  11          HD11      LEU  11  -0.876  -8.950  -1.557
   81   HD12  LEU  11          HD12      LEU  11  -1.385  -8.429  -3.165
   82   HD13  LEU  11          HD13      LEU  11  -2.510  -8.334  -1.809
   83   HD21  LEU  11          HD21      LEU  11  -0.663  -7.188   0.281
   84   HD22  LEU  11          HD22      LEU  11  -2.256  -6.533  -0.101
   85   HD23  LEU  11          HD23      LEU  11  -0.836  -5.487  -0.150
   86    H    ASP  12           HN       ASP  12   2.852  -3.908  -1.632
   87    HA   ASP  12           HA       ASP  12   4.592  -4.364  -3.911
   88    HB2  ASP  12           HB2      ASP  12   4.232  -2.149  -2.573
   89    HB3  ASP  12           HB1      ASP  12   5.435  -2.826  -1.481
   90    H    GLU  13           HN       GLU  13   5.371  -4.521  -0.395
   91    HA   GLU  13           HA       GLU  13   6.979  -6.902  -0.986
   92    HB2  GLU  13           HB2      GLU  13   8.015  -4.511  -0.263
   93    HB3  GLU  13           HB1      GLU  13   7.793  -5.252   1.316
   94    HG2  GLU  13           HG2      GLU  13   9.092  -7.192   0.562
   95    HG3  GLU  13           HG1      GLU  13   9.355  -6.388  -0.984
   96    H    TYR  14           HN       TYR  14   5.774  -5.224   1.885
   97    HA   TYR  14           HA       TYR  14   5.244  -7.754   3.213
   98    HB2  TYR  14           HB2      TYR  14   5.075  -4.890   4.149
   99    HB3  TYR  14           HB1      TYR  14   4.607  -6.259   5.152
  100    HD1  TYR  14           HD1      TYR  14   7.411  -4.461   3.631
  101    HD2  TYR  14           HD2      TYR  14   6.284  -7.767   6.059
  102    HE1  TYR  14           HE1      TYR  14   9.745  -4.713   4.361
  103    HE2  TYR  14           HE2      TYR  14   8.615  -8.028   6.797
  104    HH   TYR  14           HH       TYR  14  10.872  -7.458   6.005
  105    H    GLY  15           HN       GLY  15   3.529  -5.303   1.529
  106    HA2  GLY  15           HA2      GLY  15   1.335  -6.040   0.659
  107    HA3  GLY  15           HA1      GLY  15   0.964  -6.548   2.297
  108    H    CYS  16           HN       CYS  16   2.692  -3.586   1.789
  109    HA   CYS  16           HA       CYS  16   0.229  -2.034   2.182
  110    HB2  CYS  16           HB2      CYS  16   2.135  -2.414   4.162
  111    HB3  CYS  16           HB1      CYS  16   2.553  -0.845   3.484
  112    H    ILE  17           HN       ILE  17  -0.005  -0.458   0.794
  113    HA   ILE  17           HA       ILE  17   2.317   0.848  -0.386
  114    HB   ILE  17           HB       ILE  17   1.459  -1.023  -1.884
  115   HG12  ILE  17          HG12      ILE  17   1.466   1.774  -3.056
  116   HG13  ILE  17          HG11      ILE  17   2.893   0.823  -2.687
  117   HG21  ILE  17          HG21      ILE  17  -0.516  -0.579  -3.277
  118   HG22  ILE  17          HG22      ILE  17  -0.874   0.844  -2.299
  119   HG23  ILE  17          HG23      ILE  17  -0.928  -0.762  -1.572
  120   HD11  ILE  17          HD11      ILE  17   2.230  -0.829  -4.363
  121   HD12  ILE  17          HD12      ILE  17   2.385   0.782  -5.065
  122   HD13  ILE  17          HD13      ILE  17   0.787   0.119  -4.723
  123    H    ARG  18           HN       ARG  18   0.488   2.299  -2.249
  124    HA   ARG  18           HA       ARG  18   0.010   4.643  -0.856
  125    HB2  ARG  18           HB2      ARG  18   0.190   4.156  -3.375
  126    HB3  ARG  18           HB1      ARG  18  -1.523   3.777  -3.299
  127    HG2  ARG  18           HG2      ARG  18  -1.775   6.132  -2.263
  128    HG3  ARG  18           HG1      ARG  18  -0.161   6.420  -2.915
  129    HD2  ARG  18           HD2      ARG  18  -1.774   7.187  -4.516
  130    HD3  ARG  18           HD1      ARG  18  -1.006   5.734  -5.151
  131    HE   ARG  18           HE       ARG  18  -3.164   4.670  -4.050
  132   HH11  ARG  18          HH11      ARG  18  -2.934   7.572  -6.018
  133   HH12  ARG  18          HH12      ARG  18  -4.540   7.410  -6.648
  134   HH21  ARG  18          HH21      ARG  18  -5.263   4.482  -4.885
  135   HH22  ARG  18          HH22      ARG  18  -5.857   5.662  -6.006
  136    H    CYS  19           HN       CYS  19  -1.847   1.786  -0.774
  137    HA   CYS  19           HA       CYS  19  -3.998   3.124   0.642
  138    HB2  CYS  19           HB2      CYS  19  -4.673   1.112  -1.489
  139    HB3  CYS  19           HB1      CYS  19  -5.759   2.210  -0.648
  140    H    CYS  20           HN       CYS  20  -2.892  -0.022  -0.526
  141    HA   CYS  20           HA       CYS  20  -4.066  -1.497   1.630
  142    HB2  CYS  20           HB2      CYS  20  -3.263  -2.161  -0.875
  143    HB3  CYS  20           HB1      CYS  20  -1.911  -2.769   0.064
  Start of MODEL   20
    1    H1   TYR   1           HT1      TYR   1   7.400   2.546  -2.923
    2    H2   TYR   1           HT2      TYR   1   7.335   0.856  -2.893
    3    H3   TYR   1           HT3      TYR   1   7.639   1.715  -1.468
    4    HA   TYR   1           HA       TYR   1   5.144   1.843  -3.048
    5    HB2  TYR   1           HB2      TYR   1   4.229   0.699  -0.867
    6    HB3  TYR   1           HB1      TYR   1   5.012  -0.286  -2.087
    7    HD1  TYR   1           HD1      TYR   1   5.196   0.995   1.324
    8    HD2  TYR   1           HD2      TYR   1   7.272  -1.192  -1.678
    9    HE1  TYR   1           HE1      TYR   1   6.748   0.142   3.026
   10    HE2  TYR   1           HE2      TYR   1   8.828  -2.052   0.018
   11    HH   TYR   1           HH       TYR   1   9.652  -1.427   2.249
   12    H    GLU   2           HN       GLU   2   4.429   2.011   0.176
   13    HA   GLU   2           HA       GLU   2   4.854   4.900   0.420
   14    HB2  GLU   2           HB2      GLU   2   2.523   4.103  -0.587
   15    HB3  GLU   2           HB1      GLU   2   2.147   3.807   1.101
   16    HG2  GLU   2           HG2      GLU   2   1.309   5.937   0.672
   17    HG3  GLU   2           HG1      GLU   2   2.831   6.229   1.510
   18    H    THR   3           HN       THR   3   3.236   5.205   2.751
   19    HA   THR   3           HA       THR   3   4.345   3.327   4.701
   20    HB   THR   3           HB       THR   3   4.737   5.426   6.190
   21    HG1  THR   3           HG1      THR   3   5.441   6.708   3.802
   22   HG21  THR   3          HG21      THR   3   6.528   3.909   5.465
   23   HG22  THR   3          HG22      THR   3   7.071   5.585   5.391
   24   HG23  THR   3          HG23      THR   3   6.618   4.740   3.912
   25    H    GLY   4           HN       GLY   4   2.118   5.900   3.961
   26    HA2  GLY   4           HA2      GLY   4   0.597   5.840   6.355
   27    HA3  GLY   4           HA1      GLY   4   0.091   6.548   4.833
   28    H    CYS   5           HN       CYS   5  -0.139   4.474   3.120
   29    HA   CYS   5           HA       CYS   5  -1.592   2.894   2.398
   30    HB2  CYS   5           HB2      CYS   5  -1.131   1.671   5.132
   31    HB3  CYS   5           HB1      CYS   5  -1.781   0.837   3.725
   32    H    LYS   6           HN       LYS   6  -3.475   3.881   2.062
   33    HA   LYS   6           HA       LYS   6  -5.275   4.614   4.169
   34    HB2  LYS   6           HB2      LYS   6  -4.865   5.700   1.807
   35    HB3  LYS   6           HB1      LYS   6  -6.111   4.568   1.303
   36    HG2  LYS   6           HG2      LYS   6  -7.649   5.527   2.947
   37    HG3  LYS   6           HG1      LYS   6  -6.396   6.662   3.453
   38    HD2  LYS   6           HD2      LYS   6  -6.349   7.611   1.194
   39    HD3  LYS   6           HD1      LYS   6  -7.601   6.474   0.691
   40    HE2  LYS   6           HE2      LYS   6  -8.717   8.505   1.133
   41    HE3  LYS   6           HE1      LYS   6  -9.046   7.466   2.518
   42    HZ1  LYS   6           HZ1      LYS   6  -8.486   9.710   3.210
   43    HZ2  LYS   6           HZ2      LYS   6  -6.997   9.616   2.415
   44    HZ3  LYS   6           HZ3      LYS   6  -7.309   8.620   3.745
   45    H    ARG   7           HN       ARG   7  -6.327   2.852   1.303
   46    HA   ARG   7           HA       ARG   7  -7.757   0.965   3.048
   47    HB2  ARG   7           HB2      ARG   7  -9.266   2.443   1.807
   48    HB3  ARG   7           HB1      ARG   7  -8.520   1.965   0.291
   49    HG2  ARG   7           HG2      ARG   7  -9.486  -0.147   0.333
   50    HG3  ARG   7           HG1      ARG   7  -9.816  -0.066   2.065
   51    HD2  ARG   7           HD2      ARG   7 -11.501   1.673   1.653
   52    HD3  ARG   7           HD1      ARG   7 -11.168   1.580  -0.076
   53    HE   ARG   7           HE       ARG   7 -11.838  -0.981   0.804
   54   HH11  ARG   7          HH11      ARG   7 -13.416   2.136   0.439
   55   HH12  ARG   7          HH12      ARG   7 -14.985   1.442   0.197
   56   HH21  ARG   7          HH21      ARG   7 -13.901  -1.866   0.486
   57   HH22  ARG   7          HH22      ARG   7 -15.257  -0.822   0.223
   58    H    CYS   8           HN       CYS   8  -7.725   0.326  -0.345
   59    HA   CYS   8           HA       CYS   8  -5.442  -1.456  -0.149
   60    HB2  CYS   8           HB2      CYS   8  -7.483  -2.793   0.468
   61    HB3  CYS   8           HB1      CYS   8  -8.075  -2.515  -1.168
   62    H    CYS   9           HN       CYS   9  -4.178  -0.957  -1.744
   63    HA   CYS   9           HA       CYS   9  -5.344  -0.330  -4.358
   64    HB2  CYS   9           HB2      CYS   9  -3.198   1.037  -2.807
   65    HB3  CYS   9           HB1      CYS   9  -3.066   1.009  -4.562
   66    H    TYR  10           HN       TYR  10  -2.398  -1.473  -2.783
   67    HA   TYR  10           HA       TYR  10  -2.099  -3.678  -4.584
   68    HB2  TYR  10           HB2      TYR  10  -0.892  -1.208  -5.352
   69    HB3  TYR  10           HB1      TYR  10   0.392  -2.326  -4.905
   70    HD1  TYR  10           HD1      TYR  10  -2.279  -1.605  -7.277
   71    HD2  TYR  10           HD2      TYR  10   0.743  -4.381  -6.161
   72    HE1  TYR  10           HE1      TYR  10  -2.477  -2.694  -9.477
   73    HE2  TYR  10           HE2      TYR  10   0.556  -5.480  -8.358
   74    HH   TYR  10           HH       TYR  10  -1.097  -5.718 -10.162
   75    H    LEU  11           HN       LEU  11   0.106  -4.784  -4.224
   76    HA   LEU  11           HA       LEU  11   1.045  -4.409  -1.463
   77    HB2  LEU  11           HB2      LEU  11   0.547  -7.076  -2.793
   78    HB3  LEU  11           HB1      LEU  11   1.125  -6.825  -1.158
   79    HG   LEU  11           HG       LEU  11  -1.242  -5.415  -1.189
   80   HD11  LEU  11          HD11      LEU  11  -1.805  -6.305  -3.375
   81   HD12  LEU  11          HD12      LEU  11  -2.907  -6.910  -2.138
   82   HD13  LEU  11          HD13      LEU  11  -1.627  -7.949  -2.764
   83   HD21  LEU  11          HD21      LEU  11  -0.669  -6.709   0.676
   84   HD22  LEU  11          HD22      LEU  11  -0.532  -8.186  -0.276
   85   HD23  LEU  11          HD23      LEU  11  -2.117  -7.478   0.033
   86    H    ASP  12           HN       ASP  12   3.086  -3.746  -1.632
   87    HA   ASP  12           HA       ASP  12   4.691  -4.563  -3.917
   88    HB2  ASP  12           HB2      ASP  12   5.144  -2.576  -1.706
   89    HB3  ASP  12           HB1      ASP  12   6.408  -2.998  -2.857
   90    H    GLU  13           HN       GLU  13   5.309  -4.596  -0.370
   91    HA   GLU  13           HA       GLU  13   7.023  -6.932  -0.825
   92    HB2  GLU  13           HB2      GLU  13   7.944  -4.521  -0.027
   93    HB3  GLU  13           HB1      GLU  13   7.606  -5.261   1.533
   94    HG2  GLU  13           HG2      GLU  13   9.003  -7.175   0.899
   95    HG3  GLU  13           HG1      GLU  13   9.377  -6.372  -0.625
   96    H    TYR  14           HN       TYR  14   5.820  -5.354   2.088
   97    HA   TYR  14           HA       TYR  14   5.029  -7.913   3.206
   98    HB2  TYR  14           HB2      TYR  14   5.088  -5.123   4.357
   99    HB3  TYR  14           HB1      TYR  14   4.493  -6.519   5.246
  100    HD1  TYR  14           HD1      TYR  14   7.459  -4.850   3.902
  101    HD2  TYR  14           HD2      TYR  14   6.024  -8.229   6.050
  102    HE1  TYR  14           HE1      TYR  14   9.753  -5.350   4.634
  103    HE2  TYR  14           HE2      TYR  14   8.314  -8.739   6.790
  104    HH   TYR  14           HH       TYR  14  10.622  -8.297   6.071
  105    H    GLY  15           HN       GLY  15   3.589  -5.229   1.636
  106    HA2  GLY  15           HA2      GLY  15   1.362  -5.659   0.687
  107    HA3  GLY  15           HA1      GLY  15   0.905  -6.300   2.257
  108    H    CYS  16           HN       CYS  16   2.736  -3.356   1.516
  109    HA   CYS  16           HA       CYS  16   0.465  -1.724   2.362
  110    HB2  CYS  16           HB2      CYS  16   2.373  -2.336   4.197
  111    HB3  CYS  16           HB1      CYS  16   3.053  -0.866   3.505
  112    H    ILE  17           HN       ILE  17   0.127  -0.339   0.839
  113    HA   ILE  17           HA       ILE  17   2.332   1.231  -0.276
  114    HB   ILE  17           HB       ILE  17   1.648  -0.657  -1.838
  115   HG12  ILE  17          HG12      ILE  17   1.437   2.206  -2.817
  116   HG13  ILE  17          HG11      ILE  17   2.908   1.271  -2.629
  117   HG21  ILE  17          HG21      ILE  17  -0.387  -0.368  -3.190
  118   HG22  ILE  17          HG22      ILE  17  -0.871   0.976  -2.157
  119   HG23  ILE  17          HG23      ILE  17  -0.751  -0.650  -1.487
  120   HD11  ILE  17          HD11      ILE  17   2.182  -0.230  -4.422
  121   HD12  ILE  17          HD12      ILE  17   2.261   1.446  -4.966
  122   HD13  ILE  17          HD13      ILE  17   0.700   0.710  -4.604
  123    H    ARG  18           HN       ARG  18   0.364   2.607  -2.086
  124    HA   ARG  18           HA       ARG  18  -0.318   4.828  -0.597
  125    HB2  ARG  18           HB2      ARG  18  -0.226   4.470  -3.140
  126    HB3  ARG  18           HB1      ARG  18  -1.880   3.897  -2.999
  127    HG2  ARG  18           HG2      ARG  18  -2.357   6.154  -1.862
  128    HG3  ARG  18           HG1      ARG  18  -0.804   6.657  -2.532
  129    HD2  ARG  18           HD2      ARG  18  -2.523   7.315  -4.063
  130    HD3  ARG  18           HD1      ARG  18  -1.631   5.976  -4.783
  131    HE   ARG  18           HE       ARG  18  -3.641   4.655  -3.678
  132   HH11  ARG  18          HH11      ARG  18  -3.752   7.639  -5.529
  133   HH12  ARG  18          HH12      ARG  18  -5.349   7.342  -6.129
  134   HH21  ARG  18          HH21      ARG  18  -5.731   4.289  -4.474
  135   HH22  ARG  18          HH22      ARG  18  -6.468   5.447  -5.531
  136    H    CYS  19           HN       CYS  19  -1.943   1.814  -0.786
  137    HA   CYS  19           HA       CYS  19  -4.043   2.742   0.995
  138    HB2  CYS  19           HB2      CYS  19  -4.802   0.988  -1.320
  139    HB3  CYS  19           HB1      CYS  19  -5.843   1.956  -0.285
  140    H    CYS  20           HN       CYS  20  -3.819  -0.330  -0.728
  141    HA   CYS  20           HA       CYS  20  -4.048  -1.941   1.536
  142    HB2  CYS  20           HB2      CYS  20  -3.919  -2.408  -1.228
  143    HB3  CYS  20           HB1      CYS  20  -2.586  -3.326  -0.546