*HEADER    TOXIN                                   24-OCT-13   2MFY              
*TITLE     NON-REDUCIBLE ANALOGUES OF ALPHA-CONOTOXIN VC1.1: [2,8]-TRANS DICARBA 
*TITLE    2 VC1.1                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN VC1A;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ACV1, ALPHA-VC1A, VC1.1;                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;                                
*SOURCE   4 ORGANISM_COMMON: QUEEN VICTORIA CONE SNAIL;                          
*SOURCE   5 ORGANISM_TAXID: 319920;                                              
*SOURCE   6 OTHER_DETAILS: VENOM                                                 
*KEYWDS    DICARBA, TOXIN                                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.D.ROBINSON, C.A.MACRAILD, B.J.VAN LIEROP, A.J.ROBINSON, R.S.NORTON  
*REVDAT   1   18-DEC-13 2MFY    0                                                


! PHI

assign (resid 9 and name C ) (resid 10 and name N )
       (resid 10 and name CA) (resid 10 and name C ) 40.0 -60 30 2

assign (resid 11 and name C ) (resid 12 and name N )
       (resid 12 and name CA) (resid 12 and name C ) 40.0  -120 40 2


! PHI and PSI (TALOS+)

assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    40.0  -72.8   23.6 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    40.0  -10.9   29.2 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    40.0  -86.6   31.2 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    40.0   -4.9   37.5 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    40.0 -100.3   59.7 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    40.0  110.8   62.5 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    40.0  -28.2   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    40.0  -70.9   27.4 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    40.0  -25.5   37.5 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    40.0  -79.0   31.6 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    40.0  -93.6   42.3 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    40.0   -5.9   45.8 2


! CHI1
assign (resid 2  and name N ) (resid 2  and name CA)
       (resid 2  and name CB) (resid 2  and name CG) 40.0 -60 60 2

assign (resid 10  and name N ) (resid 10  and name CA)
       (resid 10  and name CB) (resid 10  and name CG) 40.0 -60 60 2

assign (resid 16 and name N ) (resid 16 and name CA)
       (resid 16 and name CB) (resid 16 and name SG) 40.0  -60 60 2

!Hbond
assign (resid 9 and name N  )
       (resid 9 and name HN )
       (resid 5 and name O  )

!NOE
assign (resid 7 and name HN ) (resid 7 and name HB2 ) 3.56 1.76 0
assign (resid 7 and name HB1 ) (resid 7 and name HE ) 3.67 1.87 0
assign (resid 7 and name HB2 ) (resid 7 and name HE ) 3.67 1.87 0
assign (resid 15 and name HN ) (resid 15 and name HB ) 3.32 1.52 0
assign (resid 7 and name HN ) (resid 7 and name HB1 ) 3.56 1.76 0
assign (resid 15 and name HN ) (resid 15 and name HG11 ) 4.23 2.43 0
assign (resid 15 and name HG2* ) (resid 16 and name HN ) 3.94 2.14 0
assign (resid 15 and name HN ) (resid 15 and name HG2* ) 3.93 2.13 0
assign (resid 15 and name HN ) (resid 15 and name HG12 ) 4.23 2.43 0
assign (resid 8 and name HB1 ) (resid 9 and name HN ) 4.13 2.33 0
assign (resid 8 and name HB2 ) (resid 9 and name HN ) 4.13 2.33 0
assign (resid 8 and name HN ) (resid 8 and name HB1 ) 3.62 1.82 0
assign (resid 8 and name HN ) (resid 8 and name HB2 ) 3.62 1.82 0
assign (resid 1 and name HA2 ) (resid 2 and name HN ) 3.28 1.48 0
assign (resid 1 and name HA1 ) (resid 2 and name HN ) 3.28 1.48 0
assign (resid 6 and name HD1 ) (resid 7 and name HN ) 3.8 2 0
assign (resid 5 and name HB2 ) (resid 7 and name HN ) 4.51 2.71 0
assign (resid 2 and name HN ) (resid 2 and name HB2 ) 3.55 1.75 0
assign (resid 2 and name HN ) (resid 2 and name HB1 ) 3.62 1.82 0
assign (resid 11 and name HN ) (resid 11 and name HB2 ) 3.49 1.69 0
assign (resid 11 and name HN ) (resid 11 and name HB1 ) 3.49 1.69 0
assign (resid 10 and name HB1 ) (resid 11 and name HN ) 3.56 1.76 0
assign (resid 3 and name HB1 ) (resid 4 and name HN ) 3.11 1.31 0
assign (resid 3 and name HB2 ) (resid 4 and name HN ) 3.11 1.31 0
assign (resid 16 and name HN ) (resid 16 and name HB2 ) 3.48 1.68 0
assign (resid 16 and name HN ) (resid 16 and name HB1 ) 3.95 2.15 0
assign (resid 15 and name HA ) (resid 16 and name HN ) 3.05 1.25 0
assign (resid 10 and name HA ) (resid 11 and name HN ) 2.87 1.07 0
assign (resid 9 and name HA ) (resid 10 and name HN ) 2.78 0.98 0
assign (resid 14 and name HA ) (resid 15 and name HN ) 3.06 1.26 0
assign (resid 11 and name HA ) (resid 12 and name HN ) 3.17 1.37 0
assign (resid 7 and name HA ) (resid 7 and name HE ) 3.66 1.86 0
assign (resid 4 and name HA ) (resid 5 and name HN ) 3.51 1.71 0
assign (resid 10 and name HA ) (resid 10 and name HD* ) 3.01 1.21 0
assign (resid 10 and name HD* ) (resid 13 and name HA ) 3.85 2.05 0
assign (resid 12 and name HN ) (resid 13 and name HD2 ) 4.06 2.26 0
assign (resid 10 and name HB1 ) (resid 12 and name HN ) 3.8 2 0
assign (resid 10 and name HB2 ) (resid 12 and name HN ) 4.07 2.27 0
assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.97 2.17 0
assign (resid 9 and name HN ) (resid 9 and name HB1 ) 3.79 1.99 0
assign (resid 9 and name HN ) (resid 9 and name HB2 ) 3.79 1.99 0
assign (resid 10 and name HN ) (resid 10 and name HB1 ) 3.35 1.55 0
assign (resid 10 and name HN ) (resid 10 and name HB2 ) 3.08 1.28 0
assign (resid 8 and name HG ) (resid 9 and name HN ) 4.21 2.41 0
assign (resid 8 and name HG ) (resid 10 and name HE* ) 4 2.2 0
assign (resid 12 and name HB2 ) (resid 12 and name HD2 ) 3.63 1.83 0
assign (resid 12 and name HB1 ) (resid 12 and name HD2 ) 3.63 1.83 0
assign (resid 9 and name HB2 ) (resid 9 and name HD21 ) 4.13 2.33 0
assign (resid 9 and name HB1 ) (resid 9 and name HD21 ) 4.13 2.33 0
assign (resid 5 and name HN ) (resid 5 and name HB1 ) 3.33 1.53 0
assign (resid 5 and name HN ) (resid 5 and name HB2 ) 3.33 1.53 0
assign (resid 2 and name HG ) (resid 5 and name HB2 ) 3.65 1.85 0
assign (resid 11 and name HN ) (resid 12 and name HN ) 3.03 1.23 0
assign (resid 7 and name HN ) (resid 8 and name HN ) 3.09 1.29 0
assign (resid 4 and name HN ) (resid 5 and name HN ) 3.22 1.42 0
assign (resid 8 and name HN ) (resid 9 and name HN ) 3.54 1.74 0
assign (resid 10 and name HD* ) (resid 11 and name HN ) 4 2.2 0
assign (resid 10 and name HN ) (resid 10 and name HD* ) 3.52 1.72 0
assign (resid 15 and name HN ) (resid 16 and name HN ) 3.54 1.74 0
assign (resid 10 and name HN ) (resid 10 and name HA ) 2.81 1.01 0
assign (resid 10 and name HB2 ) (resid 11 and name HN ) 3.82 2.02 0
assign (resid 12 and name HA ) (resid 12 and name HD2 ) 3.91 2.11 0
assign (resid 12 and name HN ) (resid 12 and name HD2 ) 3.79 1.99 0
assign (resid 11 and name HB2 ) (resid 12 and name HD2 ) 4.4 2.6 0
assign (resid 11 and name HB1 ) (resid 12 and name HD2 ) 4.4 2.6 0
assign (resid 8 and name HG ) (resid 10 and name HD* ) 4.19 2.39 0
assign (resid 12 and name HA ) (resid 13 and name HD1 ) 3.18 1.38 0
assign (resid 12 and name HA ) (resid 13 and name HD2 ) 3.18 1.38 0
assign (resid 5 and name HA ) (resid 6 and name HD2 ) 3.05 1.25 0
assign (resid 5 and name HA ) (resid 6 and name HD1 ) 3.05 1.25 0
assign (resid 2 and name HA ) (resid 2 and name HB1 ) 3.05 1.25 0
assign (resid 16 and name HA ) (resid 16 and name HB2 ) 2.81 1.01 0
assign (resid 15 and name HA ) (resid 15 and name HG2* ) 2.93 1.13 0
assign (resid 15 and name HG2* ) (resid 15 and name HG11 ) 3.69 1.89 0
assign (resid 15 and name HG2* ) (resid 15 and name HG12 ) 3.69 1.89 0
assign (resid 15 and name HB ) (resid 15 and name HD1* ) 3.39 1.59 0
assign (resid 15 and name HA ) (resid 15 and name HD1* ) 3.3 1.5 0
assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.97 2.17 0
assign (resid 7 and name HB1 ) (resid 7 and name HD1 ) 3.93 2.13 0
assign (resid 7 and name HB2 ) (resid 7 and name HD1 ) 3.93 2.13 0
assign (resid 15 and name HA ) (resid 15 and name HG12 ) 3.97 2.17 0
assign (resid 15 and name HA ) (resid 15 and name HG11 ) 3.97 2.17 0
assign (resid 6 and name HD2 ) (resid 7 and name HN ) 3.8 2 0
assign (resid 7 and name HB1 ) (resid 7 and name HD2 ) 3.93 2.13 0
assign (resid 7 and name HB2 ) (resid 7 and name HD2 ) 3.93 2.13 0
assign (resid 12 and name HB1 ) (resid 13 and name HD1 ) 6.02 4.22 0
assign (resid 12 and name HB1 ) (resid 13 and name HD2 ) 6.02 4.22 0
assign (resid 12 and name HB2 ) (resid 13 and name HD1 ) 6.02 4.22 0
assign (resid 5 and name HB1 ) (resid 6 and name HD2 ) 5.9 4.1 0
assign (resid 5 and name HB1 ) (resid 6 and name HD1 ) 5.9 4.1 0
assign (resid 5 and name HB2 ) (resid 6 and name HD1 ) 5.9 4.1 0
assign (resid 2 and name HG ) (resid 5 and name HB1 ) 3.65 1.85 0
assign (resid 10 and name HN ) (resid 12 and name HN ) 3.96 2.16 0
assign (resid 12 and name HN ) (resid 13 and name HD1 ) 4.06 2.26 0
assign (resid 14 and name HA ) (resid 14 and name HG1 ) 3.99 2.19 0
assign (resid 14 and name HA ) (resid 14 and name HG2 ) 3.99 2.19 0
assign (resid 15 and name HN ) (resid 15 and name HD1* ) 4.6 2.8 0
assign (resid 15 and name HB ) (resid 16 and name HN ) 4.33 2.53 0
assign (resid 5 and name HB1 ) (resid 7 and name HN ) 4.51 2.71 0
assign (resid 2 and name HG ) (resid 5 and name HN ) 4.1 2.3 0
assign (resid 14 and name HN ) (resid 15 and name HN ) 4.26 2.46 0
assign (resid 12 and name HD2 ) (resid 13 and name HA ) 3.88 2.08 0
assign (resid 5 and name HB1 ) (resid 8 and name HB1 ) 6.26 4.46 0
assign (resid 5 and name HB2 ) (resid 8 and name HB1 ) 6.26 4.46 0
assign (resid 2 and name HB1 ) (resid 5 and name HN ) 4.45 2.65 0
assign (resid 10 and name HD* ) (resid 12 and name HN ) 4.27 2.47 0
assign (resid 9 and name HB2 ) (resid 9 and name HD22 ) 4.13 2.33 0
assign (resid 9 and name HB1 ) (resid 9 and name HD22 ) 4.13 2.33 0
assign (resid 15 and name HA ) (resid 16 and name HB2 ) 4.19 2.39 0
assign (resid 2 and name HB2 ) (resid 8 and name HB* ) 3.71 1.91 0
assign (resid 2 and name HG ) (resid 5 and name HB* ) 3.38 1.58 0
assign (resid 4 and name HN ) (resid 4 and name HB* ) 3.73 1.93 0
assign (resid 5 and name HN ) (resid 5 and name HB* ) 3.14 1.34 0
assign (resid 5 and name HB* ) (resid 6 and name HD* ) 4.49 2.69 0
assign (resid 5 and name HB2 ) (resid 6 and name HD2 ) 5.9 4.1 0
assign (resid 5 and name HB* ) (resid 7 and name HN ) 4.3 2.5 0
assign (resid 5 and name HB* ) (resid 8 and name HB* ) 5.15 3.35 0
assign (resid 5 and name HB2 ) (resid 8 and name HB2 ) 6.26 4.46 0
assign (resid 5 and name HB1 ) (resid 8 and name HB2 ) 6.26 4.46 0
assign (resid 6 and name HB* ) (resid 7 and name HN ) 4.18 2.38 0
assign (resid 6 and name HD* ) (resid 7 and name HN ) 3.57 1.77 0
assign (resid 7 and name HN ) (resid 7 and name HB* ) 3.27 1.47 0
assign (resid 7 and name HN ) (resid 7 and name HG* ) 3.99 2.19 0
assign (resid 7 and name HA ) (resid 7 and name HG* ) 3.72 1.92 0
assign (resid 7 and name HB* ) (resid 7 and name HG* ) 2.45 0.65 0
assign (resid 7 and name HB* ) (resid 7 and name HD* ) 3.64 1.84 0
assign (resid 7 and name HB* ) (resid 7 and name HE ) 3.33 1.53 0
assign (resid 7 and name HG* ) (resid 7 and name HE ) 3.72 1.92 0
assign (resid 8 and name HB* ) (resid 9 and name HN ) 3.95 2.15 0
assign (resid 9 and name HD2* ) (resid 12 and name HN ) 5.09 3.29 0
assign (resid 10 and name HE* ) (resid 13 and name HB* ) 4.79 2.99 0
assign (resid 11 and name HN ) (resid 11 and name HB* ) 3.29 1.49 0
assign (resid 11 and name HA ) (resid 11 and name HB* ) 2.7 0.9 0
assign (resid 11 and name HB* ) (resid 12 and name HD2 ) 4.04 2.24 0
assign (resid 12 and name HN ) (resid 12 and name HB* ) 3.73 1.93 0
assign (resid 12 and name HN ) (resid 13 and name HD* ) 3.88 2.08 0
assign (resid 12 and name HA ) (resid 13 and name HG* ) 5.08 3.28 0
assign (resid 12 and name HA ) (resid 13 and name HD* ) 3 1.2 0
assign (resid 12 and name HB* ) (resid 12 and name HD2 ) 3.37 1.57 0
assign (resid 12 and name HB* ) (resid 13 and name HD* ) 4.57 2.77 0
assign (resid 12 and name HB2 ) (resid 13 and name HD2 ) 6.02 4.22 0
assign (resid 13 and name HB* ) (resid 14 and name HB* ) 4.34 2.54 0
assign (resid 14 and name HA ) (resid 14 and name HG* ) 3.6 1.8 0
assign (resid 14 and name HG* ) (resid 15 and name HN ) 5.67 3.87 0
assign (resid 15 and name HN ) (resid 15 and name HG1* ) 4.04 2.24 0
assign (resid 15 and name HA ) (resid 15 and name HG1* ) 3.71 1.91 0
assign (resid 15 and name HG2* ) (resid 15 and name HG1* ) 3.41 1.61 0
assign (resid 8 and name HN ) (resid 8 and name HG ) 4.02 1.72 0
assign (resid 8 and name HA ) (resid 8 and name HG ) 3.43 1.13 0
assign (resid 8 and name HB1 ) (resid 8 and name HG ) 3.43 1.13 0
assign (resid 8 and name HB2 ) (resid 8 and name HG ) 3.43 1.13 0
assign (resid 2 and name HN ) (resid 2 and name HG ) 4.28 1.98 0
assign (resid 2 and name HA ) (resid 2 and name HG ) 3.55 1.25 0
assign (resid 2 and name HB1 ) (resid 2 and name HG ) 3.26 0.96 0
assign (resid 2 and name HB2 ) (resid 2 and name HG ) 3.24 0.94 0
assign (resid 16 and name HN ) (resid 16 and name H1 ) 4.10 2.30 0
assign (resid 16 and name HA ) (resid 16 and name H1 ) 3.42 1.62 0
assign (resid 16 and name HA ) (resid 16 and name H2 ) 3.82 2.02 0
assign (resid 16 and name HB2) (resid 16 and name H1 ) 4.33 2.53 0
assign (resid 16 and name HB1) (resid 16 and name H1 ) 4.01 2.21 0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1  -8.222   1.826  -3.003
    2    H2   GLY   1           2HT      GLY   1  -7.366   2.215  -1.586
    3    H3   GLY   1           3HT      GLY   1  -8.382   0.857  -1.624
    4    HA2  GLY   1           2HA      GLY   1  -6.935  -0.123  -3.365
    5    HA3  GLY   1           1HA      GLY   1  -5.830   1.224  -3.093
    6    H    ABA   2           H        ABA   2  -4.152  -0.043  -2.275
    7    HA   ABA   2           HA       ABA   2  -4.440  -2.013  -0.266
    8    HB3  ABA   2           1HB      ABA   2  -1.849  -1.008  -0.009
    9    HB2  ABA   2           2HB      ABA   2  -2.264  -0.705  -1.696
   10    HG1  ABA   2           HG       ABA   2  -2.625  -3.450  -0.426
   11    H    CYS   3           H        CYS   3  -5.258   1.091   0.101
   12    HA   CYS   3           HA       CYS   3  -3.987   2.203   2.270
   13    HB2  CYS   3           2HB      CYS   3  -6.619   2.401   1.079
   14    HB3  CYS   3           1HB      CYS   3  -6.715   2.559   2.830
   15    H    SER   4           H        SER   4  -6.190  -0.518   2.231
   16    HA   SER   4           HA       SER   4  -5.805  -0.852   5.152
   17    HB2  SER   4           2HB      SER   4  -8.179  -0.873   3.572
   18    HB3  SER   4           1HB      SER   4  -7.931  -2.499   4.206
   19    HG   SER   4           HG       SER   4  -8.316  -1.785   6.154
   20    H    ASP   5           H        ASP   5  -4.149  -1.787   2.762
   21    HA   ASP   5           HA       ASP   5  -3.970  -4.597   3.639
   22    HB2  ASP   5           2HB      ASP   5  -5.170  -4.657   1.518
   23    HB3  ASP   5           1HB      ASP   5  -3.941  -3.654   0.766
   24    HA   PRO   6           HA       PRO   6   0.248  -3.033   3.850
   25    HB2  PRO   6           2HB      PRO   6   1.190  -4.900   5.566
   26    HB3  PRO   6           1HB      PRO   6   0.134  -3.578   6.102
   27    HG2  PRO   6           2HG      PRO   6  -0.518  -6.429   5.586
   28    HG3  PRO   6           1HG      PRO   6  -1.128  -5.340   6.838
   29    HD2  PRO   6           2HD      PRO   6  -2.493  -5.983   4.494
   30    HD3  PRO   6           1HD      PRO   6  -2.815  -4.552   5.498
   31    H    ARG   7           H        ARG   7  -0.960  -5.858   2.442
   32    HA   ARG   7           HA       ARG   7   1.609  -7.050   1.813
   33    HB2  ARG   7           2HB      ARG   7  -0.293  -8.525   2.140
   34    HB3  ARG   7           1HB      ARG   7  -1.177  -7.709   0.859
   35    HG2  ARG   7           2HG      ARG   7  -0.043  -9.900   0.218
   36    HG3  ARG   7           1HG      ARG   7   0.276  -8.519  -0.828
   37    HD2  ARG   7           2HD      ARG   7   2.255 -10.029  -0.006
   38    HD3  ARG   7           1HD      ARG   7   2.469  -8.284  -0.073
   39    HE   ARG   7           HE       ARG   7   1.479  -9.145   2.486
   40   HH11  ARG   7          1HH2      ARG   7   4.306  -8.915   0.537
   41   HH12  ARG   7          2HH2      ARG   7   5.374  -8.799   1.891
   42   HH21  ARG   7          1HH1      ARG   7   2.865  -8.985   4.204
   43   HH22  ARG   7          2HH1      ARG   7   4.569  -8.841   3.941
   44    H    ABA   8           H        ABA   8  -1.034  -5.741  -0.249
   45    HA   ABA   8           HA       ABA   8   0.459  -5.665  -2.617
   46    HB3  ABA   8           1HB      ABA   8  -2.099  -5.039  -1.974
   47    HB2  ABA   8           2HB      ABA   8  -1.353  -4.610  -3.506
   48    HG1  ABA   8           HG       ABA   8  -0.743  -2.352  -2.482
   49    H    ASN   9           H        ASN   9   0.263  -3.354   0.025
   50    HA   ASN   9           HA       ASN   9   1.481  -1.115  -0.990
   51    HB2  ASN   9           2HB      ASN   9   0.757  -0.903   1.205
   52    HB3  ASN   9           1HB      ASN   9   1.477  -2.429   1.702
   53   HD21  ASN   9          1HD2      ASN   9   3.920  -2.436   1.860
   54   HD22  ASN   9          2HD2      ASN   9   4.700  -0.986   2.264
   55    H    TYR  10           H        TYR  10   3.359  -0.779  -2.013
   56    HA   TYR  10           HA       TYR  10   5.440  -2.765  -2.016
   57    HB2  TYR  10           2HB      TYR  10   6.168  -0.180  -3.167
   58    HB3  TYR  10           1HB      TYR  10   6.097  -1.761  -3.924
   59    HD1  TYR  10           2HD      TYR  10   3.359  -2.590  -3.831
   60    HD2  TYR  10           1HD      TYR  10   4.944   1.357  -4.387
   61    HE1  TYR  10           2HE      TYR  10   1.288  -1.931  -5.019
   62    HE2  TYR  10           1HE      TYR  10   2.867   2.015  -5.583
   63    HH   TYR  10           HH       TYR  10   0.681  -0.160  -6.777
   64    H    ASP  11           H        ASP  11   7.736  -1.193  -2.115
   65    HA   ASP  11           HA       ASP  11   8.312  -0.894   0.660
   66    HB2  ASP  11           2HB      ASP  11   9.760  -0.755  -1.865
   67    HB3  ASP  11           1HB      ASP  11  10.317   0.460  -0.719
   68    H    HIS  12           H        HIS  12   6.943   1.161  -1.666
   69    HA   HIS  12           HA       HIS  12   6.417   3.227   0.219
   70    HB2  HIS  12           2HB      HIS  12   7.685   5.039  -1.066
   71    HB3  HIS  12           1HB      HIS  12   8.645   3.969  -0.055
   72    HD2  HIS  12           2HD      HIS  12   7.578   2.439  -3.430
   73    HE1  HIS  12           1HE      HIS  12  11.620   3.579  -3.812
   74    HE2  HIS  12           2HE      HIS  12   9.723   2.307  -4.918
   75    HA   PRO  13           HA       PRO  13   3.717   3.025  -3.562
   76    HB2  PRO  13           2HB      PRO  13   1.366   2.544  -2.249
   77    HB3  PRO  13           1HB      PRO  13   2.472   1.259  -2.764
   78    HG2  PRO  13           2HG      PRO  13   2.067   2.437  -0.069
   79    HG3  PRO  13           1HG      PRO  13   2.416   0.766  -0.535
   80    HD2  PRO  13           2HD      PRO  13   4.311   2.523   0.457
   81    HD3  PRO  13           1HD      PRO  13   4.687   1.107  -0.548
   82    H    GLU  14           H        GLU  14   2.210   4.178  -0.556
   83    HA   GLU  14           HA       GLU  14   2.425   6.944  -1.081
   84    HB2  GLU  14           2HB      GLU  14  -0.137   7.223  -1.510
   85    HB3  GLU  14           1HB      GLU  14   0.922   6.833  -2.865
   86    HG2  GLU  14           2HG      GLU  14  -0.134   4.864  -3.215
   87    HG3  GLU  14           1HG      GLU  14   0.042   4.408  -1.524
   88    H    ILE  15           H        ILE  15   1.358   8.225   0.536
   89    HA   ILE  15           HA       ILE  15   1.068   6.831   3.042
   90    HB   ILE  15           HB       ILE  15   0.534   9.745   2.412
   91   HG12  ILE  15          2HG1      ILE  15   2.817   9.091   1.739
   92   HG13  ILE  15          1HG1      ILE  15   2.866  10.100   3.184
   93   HG21  ILE  15          1HG2      ILE  15  -0.106   9.789   4.578
   94   HG22  ILE  15          2HG2      ILE  15   1.566   9.414   5.000
   95   HG23  ILE  15          3HG2      ILE  15   0.387   8.115   4.817
   96   HD11  ILE  15          3HD1      ILE  15   4.349   8.298   3.644
   97   HD12  ILE  15          1HD1      ILE  15   3.221   7.103   2.997
   98   HD13  ILE  15          2HD1      ILE  15   2.873   7.909   4.526
   99    H    CYS  16           H        CYS  16  -0.846   5.841   1.340
  100    HA   CYS  16           HA       CYS  16  -3.059   5.226   1.363
  101    HB2  CYS  16           2HB      CYS  16  -2.609   6.196   3.960
  102    HB3  CYS  16           1HB      CYS  16  -4.114   6.931   3.425
  103    HN1  NH2  17           2H       CYS  16  -5.065   7.565  -0.286
  104    HN2  NH2  17           1H       CYS  16  -4.773   5.940   0.097
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1  -5.224   3.575  -1.129
    2    H2   GLY   1           2HT      GLY   1  -6.353   3.805  -2.376
    3    H3   GLY   1           3HT      GLY   1  -4.694   3.925  -2.699
    4    HA2  GLY   1           2HA      GLY   1  -6.375   1.572  -2.480
    5    HA3  GLY   1           1HA      GLY   1  -4.903   1.815  -3.414
    6    H    ABA   2           H        ABA   2  -5.237  -0.519  -2.060
    7    HA   ABA   2           HA       ABA   2  -4.491  -1.873  -0.347
    8    HB3  ABA   2           1HB      ABA   2  -1.819  -0.783  -0.353
    9    HB2  ABA   2           2HB      ABA   2  -2.473  -0.863  -1.986
   10    HG1  ABA   2           HG       ABA   2  -2.625  -3.268  -0.126
   11    H    CYS   3           H        CYS   3  -5.702   0.441   0.823
   12    HA   CYS   3           HA       CYS   3  -3.975   1.454   2.907
   13    HB2  CYS   3           2HB      CYS   3  -6.596   2.042   1.900
   14    HB3  CYS   3           1HB      CYS   3  -6.701   1.789   3.641
   15    H    SER   4           H        SER   4  -6.466  -1.023   2.635
   16    HA   SER   4           HA       SER   4  -5.957  -1.851   5.423
   17    HB2  SER   4           2HB      SER   4  -8.200  -2.715   3.593
   18    HB3  SER   4           1HB      SER   4  -8.054  -3.041   5.319
   19    HG   SER   4           HG       SER   4  -9.352  -1.099   4.461
   20    H    ASP   5           H        ASP   5  -4.235  -2.455   3.009
   21    HA   ASP   5           HA       ASP   5  -4.029  -5.341   3.514
   22    HB2  ASP   5           2HB      ASP   5  -5.390  -4.892   1.393
   23    HB3  ASP   5           1HB      ASP   5  -3.897  -4.288   0.685
   24    HA   PRO   6           HA       PRO   6   0.042  -3.163   3.727
   25    HB2  PRO   6           2HB      PRO   6   0.604  -5.262   5.714
   26    HB3  PRO   6           1HB      PRO   6   0.713  -3.502   5.878
   27    HG2  PRO   6           2HG      PRO   6  -1.205  -4.965   7.084
   28    HG3  PRO   6           1HG      PRO   6  -1.453  -3.292   6.556
   29    HD2  PRO   6           2HD      PRO   6  -2.409  -5.830   5.287
   30    HD3  PRO   6           1HD      PRO   6  -3.199  -4.239   5.369
   31    H    ARG   7           H        ARG   7  -1.125  -6.036   2.608
   32    HA   ARG   7           HA       ARG   7   1.461  -7.298   2.093
   33    HB2  ARG   7           2HB      ARG   7  -0.281  -8.808   2.743
   34    HB3  ARG   7           1HB      ARG   7  -1.384  -8.160   1.541
   35    HG2  ARG   7           2HG      ARG   7   1.051  -8.980   0.239
   36    HG3  ARG   7           1HG      ARG   7   0.471 -10.297   1.248
   37    HD2  ARG   7           2HD      ARG   7  -0.412 -10.165  -1.156
   38    HD3  ARG   7           1HD      ARG   7  -1.589 -10.424   0.124
   39    HE   ARG   7           HE       ARG   7  -1.612  -7.724  -0.108
   40   HH11  ARG   7          1HH2      ARG   7  -1.709 -10.237  -2.456
   41   HH12  ARG   7          2HH2      ARG   7  -2.694  -9.336  -3.550
   42   HH21  ARG   7          1HH1      ARG   7  -2.927  -6.615  -1.488
   43   HH22  ARG   7          2HH1      ARG   7  -3.354  -7.287  -3.025
   44    H    ABA   8           H        ABA   8  -0.873  -5.287   0.480
   45    HA   ABA   8           HA       ABA   8   0.285  -5.836  -2.161
   46    HB3  ABA   8           1HB      ABA   8  -2.257  -5.142  -1.343
   47    HB2  ABA   8           2HB      ABA   8  -1.661  -5.071  -2.993
   48    HG1  ABA   8           HG       ABA   8  -1.060  -2.651  -2.625
   49    H    ASN   9           H        ASN   9   0.273  -3.377   0.321
   50    HA   ASN   9           HA       ASN   9   1.300  -1.174  -0.999
   51    HB2  ASN   9           2HB      ASN   9   1.627  -0.317   1.089
   52    HB3  ASN   9           1HB      ASN   9   0.740  -1.751   1.588
   53   HD21  ASN   9          1HD2      ASN   9   3.850  -0.178   1.698
   54   HD22  ASN   9          2HD2      ASN   9   4.644  -1.395   2.571
   55    H    TYR  10           H        TYR  10   3.223  -0.617  -1.891
   56    HA   TYR  10           HA       TYR  10   5.312  -2.638  -2.011
   57    HB2  TYR  10           2HB      TYR  10   6.014  -0.243  -3.417
   58    HB3  TYR  10           1HB      TYR  10   5.641  -1.826  -4.069
   59    HD1  TYR  10           2HD      TYR  10   2.928  -2.363  -3.818
   60    HD2  TYR  10           1HD      TYR  10   4.777   1.483  -4.291
   61    HE1  TYR  10           2HE      TYR  10   0.811  -1.455  -4.752
   62    HE2  TYR  10           1HE      TYR  10   2.663   2.381  -5.228
   63    HH   TYR  10           HH       TYR  10   0.216   1.821  -5.055
   64    H    ASP  11           H        ASP  11   7.559  -1.144  -2.355
   65    HA   ASP  11           HA       ASP  11   8.421  -0.625   0.279
   66    HB2  ASP  11           2HB      ASP  11   9.643  -1.064  -2.095
   67    HB3  ASP  11           1HB      ASP  11   9.859   0.675  -1.966
   68    H    HIS  12           H        HIS  12   6.665   1.253  -1.901
   69    HA   HIS  12           HA       HIS  12   6.482   3.505  -0.119
   70    HB2  HIS  12           2HB      HIS  12   7.356   5.065  -2.037
   71    HB3  HIS  12           1HB      HIS  12   8.503   4.284  -0.956
   72    HD2  HIS  12           2HD      HIS  12   6.903   2.121  -3.753
   73    HE1  HIS  12           1HE      HIS  12  10.932   2.803  -4.821
   74    HE2  HIS  12           2HE      HIS  12   8.827   1.501  -5.417
   75    HA   PRO  13           HA       PRO  13   3.032   3.106  -3.137
   76    HB2  PRO  13           2HB      PRO  13   1.112   2.177  -1.455
   77    HB3  PRO  13           1HB      PRO  13   2.317   1.119  -2.212
   78    HG2  PRO  13           2HG      PRO  13   2.095   2.001   0.582
   79    HG3  PRO  13           1HG      PRO  13   2.924   0.593  -0.097
   80    HD2  PRO  13           2HD      PRO  13   4.084   3.115   0.699
   81    HD3  PRO  13           1HD      PRO  13   4.910   1.685   0.046
   82    H    GLU  14           H        GLU  14   3.833   5.259  -0.911
   83    HA   GLU  14           HA       GLU  14   3.096   7.359  -0.370
   84    HB2  GLU  14           2HB      GLU  14   2.284   7.391  -2.741
   85    HB3  GLU  14           1HB      GLU  14   0.719   6.814  -2.161
   86    HG2  GLU  14           2HG      GLU  14   0.198   8.818  -1.150
   87    HG3  GLU  14           1HG      GLU  14   1.875   9.177  -0.756
   88    H    ILE  15           H        ILE  15   1.501   8.470   0.916
   89    HA   ILE  15           HA       ILE  15   0.348   6.782   2.921
   90    HB   ILE  15           HB       ILE  15  -0.098   9.751   2.506
   91   HG12  ILE  15          2HG1      ILE  15   2.310   9.256   2.530
   92   HG13  ILE  15          1HG1      ILE  15   1.838  10.030   4.040
   93   HG21  ILE  15          1HG2      ILE  15  -1.341   9.551   4.367
   94   HG22  ILE  15          2HG2      ILE  15   0.094   9.001   5.230
   95   HG23  ILE  15          3HG2      ILE  15  -0.977   7.830   4.465
   96   HD11  ILE  15          3HD1      ILE  15   1.572   7.664   4.991
   97   HD12  ILE  15          1HD1      ILE  15   3.219   8.208   4.682
   98   HD13  ILE  15          2HD1      ILE  15   2.431   7.108   3.554
   99    H    CYS  16           H        CYS  16  -0.842   5.818   0.769
  100    HA   CYS  16           HA       CYS  16  -2.868   5.337  -0.215
  101    HB2  CYS  16           2HB      CYS  16  -3.356   5.840   2.521
  102    HB3  CYS  16           1HB      CYS  16  -4.653   6.625   1.623
  103    HN1  NH2  17           2H       CYS  16  -2.891   8.936  -1.449
  104    HN2  NH2  17           1H       CYS  16  -1.619   7.977  -0.873
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1  -2.107   1.848  -3.535
    2    H2   GLY   1           2HT      GLY   1  -2.665   3.376  -4.032
    3    H3   GLY   1           3HT      GLY   1  -3.430   1.963  -4.590
    4    HA2  GLY   1           2HA      GLY   1  -3.974   3.465  -2.266
    5    HA3  GLY   1           1HA      GLY   1  -4.849   2.081  -2.909
    6    H    ABA   2           H        ABA   2  -4.836   0.285  -1.722
    7    HA   ABA   2           HA       ABA   2  -4.296  -1.296  -0.177
    8    HB3  ABA   2           1HB      ABA   2  -1.572  -0.668   0.354
    9    HB2  ABA   2           2HB      ABA   2  -1.855  -0.493  -1.368
   10    HG1  ABA   2           HG       ABA   2  -2.740  -3.008   0.103
   11    H    CYS   3           H        CYS   3  -5.687   0.226   1.140
   12    HA   CYS   3           HA       CYS   3  -4.203   1.571   3.307
   13    HB2  CYS   3           2HB      CYS   3  -6.672   2.076   1.970
   14    HB3  CYS   3           1HB      CYS   3  -7.026   1.756   3.666
   15    H    SER   4           H        SER   4  -6.453  -1.030   2.668
   16    HA   SER   4           HA       SER   4  -6.440  -1.835   5.501
   17    HB2  SER   4           2HB      SER   4  -8.210  -3.500   4.555
   18    HB3  SER   4           1HB      SER   4  -8.650  -1.805   4.760
   19    HG   SER   4           HG       SER   4  -8.660  -1.534   2.644
   20    H    ASP   5           H        ASP   5  -5.029  -2.673   2.472
   21    HA   ASP   5           HA       ASP   5  -4.420  -5.393   3.424
   22    HB2  ASP   5           2HB      ASP   5  -5.388  -5.116   1.143
   23    HB3  ASP   5           1HB      ASP   5  -3.946  -4.217   0.682
   24    HA   PRO   6           HA       PRO   6  -0.356  -3.688   4.349
   25    HB2  PRO   6           2HB      PRO   6   0.427  -5.670   6.014
   26    HB3  PRO   6           1HB      PRO   6  -0.755  -4.440   6.504
   27    HG2  PRO   6           2HG      PRO   6  -1.194  -7.259   5.673
   28    HG3  PRO   6           1HG      PRO   6  -2.032  -6.296   6.900
   29    HD2  PRO   6           2HD      PRO   6  -2.993  -6.789   4.322
   30    HD3  PRO   6           1HD      PRO   6  -3.548  -5.480   5.389
   31    H    ARG   7           H        ARG   7  -1.238  -6.313   2.479
   32    HA   ARG   7           HA       ARG   7   1.475  -7.345   2.056
   33    HB2  ARG   7           2HB      ARG   7  -1.038  -8.211   0.626
   34    HB3  ARG   7           1HB      ARG   7   0.455  -9.115   0.863
   35    HG2  ARG   7           2HG      ARG   7  -0.117  -8.774   3.429
   36    HG3  ARG   7           1HG      ARG   7  -1.758  -8.572   2.809
   37    HD2  ARG   7           2HD      ARG   7  -1.289 -10.933   3.389
   38    HD3  ARG   7           1HD      ARG   7  -1.621 -10.738   1.666
   39    HE   ARG   7           HE       ARG   7   1.184 -10.531   2.176
   40   HH11  ARG   7          1HH2      ARG   7  -1.405 -12.787   2.043
   41   HH12  ARG   7          2HH2      ARG   7  -0.395 -14.102   1.553
   42   HH21  ARG   7          1HH1      ARG   7   2.473 -12.222   1.549
   43   HH22  ARG   7          2HH1      ARG   7   1.787 -13.784   1.270
   44    H    ABA   8           H        ABA   8  -1.150  -5.762   0.259
   45    HA   ABA   8           HA       ABA   8   0.116  -5.629  -2.246
   46    HB3  ABA   8           1HB      ABA   8  -2.317  -4.826  -1.147
   47    HB2  ABA   8           2HB      ABA   8  -1.816  -4.632  -2.822
   48    HG1  ABA   8           HG       ABA   8  -0.847  -2.361  -2.178
   49    H    ASN   9           H        ASN   9   0.422  -3.667   0.618
   50    HA   ASN   9           HA       ASN   9   1.463  -1.291  -0.108
   51    HB2  ASN   9           2HB      ASN   9   1.414  -1.689   2.190
   52    HB3  ASN   9           1HB      ASN   9   2.270  -3.219   2.049
   53   HD21  ASN   9          1HD2      ASN   9   4.644  -2.890   1.128
   54   HD22  ASN   9          2HD2      ASN   9   5.493  -1.570   1.767
   55    H    TYR  10           H        TYR  10   3.001  -0.591  -1.451
   56    HA   TYR  10           HA       TYR  10   4.996  -2.433  -2.478
   57    HB2  TYR  10           2HB      TYR  10   5.337   0.222  -3.492
   58    HB3  TYR  10           1HB      TYR  10   4.782  -1.209  -4.341
   59    HD1  TYR  10           2HD      TYR  10   2.224  -1.882  -3.449
   60    HD2  TYR  10           1HD      TYR  10   3.934   2.038  -3.724
   61    HE1  TYR  10           2HE      TYR  10  -0.051  -0.904  -3.569
   62    HE2  TYR  10           1HE      TYR  10   1.657   3.019  -3.857
   63    HH   TYR  10           HH       TYR  10  -0.534   2.601  -3.461
   64    H    ASP  11           H        ASP  11   7.139  -0.855  -3.004
   65    HA   ASP  11           HA       ASP  11   8.382  -0.675  -0.417
   66    HB2  ASP  11           2HB      ASP  11   9.225  -0.917  -3.129
   67    HB3  ASP  11           1HB      ASP  11  10.019   0.496  -2.438
   68    H    HIS  12           H        HIS  12   6.453   1.429  -2.082
   69    HA   HIS  12           HA       HIS  12   7.057   3.611  -0.313
   70    HB2  HIS  12           2HB      HIS  12   7.572   5.239  -2.192
   71    HB3  HIS  12           1HB      HIS  12   8.848   4.089  -1.814
   72    HD2  HIS  12           2HD      HIS  12   6.219   2.279  -3.841
   73    HE1  HIS  12           1HE      HIS  12   9.046   3.680  -6.650
   74    HE2  HIS  12           2HE      HIS  12   7.056   2.128  -6.320
   75    HA   PRO  13           HA       PRO  13   2.752   3.171  -2.129
   76    HB2  PRO  13           2HB      PRO  13   1.974   3.452   0.700
   77    HB3  PRO  13           1HB      PRO  13   1.457   2.252  -0.498
   78    HG2  PRO  13           2HG      PRO  13   3.124   1.650   1.529
   79    HG3  PRO  13           1HG      PRO  13   3.211   0.852  -0.049
   80    HD2  PRO  13           2HD      PRO  13   4.999   2.961   1.098
   81    HD3  PRO  13           1HD      PRO  13   5.395   1.615   0.006
   82    H    GLU  14           H        GLU  14   0.995   4.705  -2.087
   83    HA   GLU  14           HA       GLU  14   1.927   7.424  -1.892
   84    HB2  GLU  14           2HB      GLU  14  -0.185   7.978  -2.897
   85    HB3  GLU  14           1HB      GLU  14   0.431   6.524  -3.684
   86    HG2  GLU  14           2HG      GLU  14  -1.235   5.997  -1.307
   87    HG3  GLU  14           1HG      GLU  14  -2.088   6.767  -2.634
   88    H    ILE  15           H        ILE  15   1.346   5.594   0.559
   89    HA   ILE  15           HA       ILE  15   0.508   5.794   2.689
   90    HB   ILE  15           HB       ILE  15   0.822   8.721   2.014
   91   HG12  ILE  15          2HG1      ILE  15   2.885   7.436   1.647
   92   HG13  ILE  15          1HG1      ILE  15   3.039   8.455   3.077
   93   HG21  ILE  15          1HG2      ILE  15   1.379   8.451   4.661
   94   HG22  ILE  15          2HG2      ILE  15   0.119   7.233   4.467
   95   HG23  ILE  15          3HG2      ILE  15  -0.205   8.911   4.037
   96   HD11  ILE  15          3HD1      ILE  15   2.164   6.332   4.351
   97   HD12  ILE  15          1HD1      ILE  15   3.856   6.419   3.864
   98   HD13  ILE  15          2HD1      ILE  15   2.712   5.475   2.910
   99    H    CYS  16           H        CYS  16  -1.372   5.816   0.380
  100    HA   CYS  16           HA       CYS  16  -3.638   5.862   0.038
  101    HB2  CYS  16           2HB      CYS  16  -3.304   5.568   2.828
  102    HB3  CYS  16           1HB      CYS  16  -4.624   6.697   2.574
  103    HN1  NH2  17           2H       CYS  16  -4.591   9.136  -0.640
  104    HN2  NH2  17           1H       CYS  16  -4.460   7.524  -1.150
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1  -5.784   3.094  -3.141
    2    H2   GLY   1           2HT      GLY   1  -4.734   1.781  -2.933
    3    H3   GLY   1           3HT      GLY   1  -4.694   3.085  -1.847
    4    HA2  GLY   1           2HA      GLY   1  -6.912   2.558  -1.070
    5    HA3  GLY   1           1HA      GLY   1  -6.981   1.219  -2.209
    6    H    ABA   2           H        ABA   2  -3.947   0.956  -1.588
    7    HA   ABA   2           HA       ABA   2  -4.174  -1.187   0.238
    8    HB3  ABA   2           1HB      ABA   2  -1.477  -0.404   0.198
    9    HB2  ABA   2           2HB      ABA   2  -2.111   0.019  -1.390
   10    HG1  ABA   2           HG       ABA   2  -2.333  -2.757  -0.149
   11    H    CYS   3           H        CYS   3  -5.427   0.596   1.666
   12    HA   CYS   3           HA       CYS   3  -3.566   1.770   3.634
   13    HB2  CYS   3           2HB      CYS   3  -6.165   2.481   2.657
   14    HB3  CYS   3           1HB      CYS   3  -6.271   2.186   4.392
   15    H    SER   4           H        SER   4  -5.955  -0.691   3.164
   16    HA   SER   4           HA       SER   4  -5.442  -1.760   5.886
   17    HB2  SER   4           2HB      SER   4  -7.649  -2.387   6.092
   18    HB3  SER   4           1HB      SER   4  -7.871  -0.980   5.053
   19    HG   SER   4           HG       SER   4  -7.660  -3.717   4.270
   20    H    ASP   5           H        ASP   5  -4.079  -2.099   3.214
   21    HA   ASP   5           HA       ASP   5  -4.205  -5.047   3.086
   22    HB2  ASP   5           2HB      ASP   5  -5.395  -3.883   1.184
   23    HB3  ASP   5           1HB      ASP   5  -3.840  -3.228   0.703
   24    HA   PRO   6           HA       PRO   6   0.177  -4.056   3.708
   25    HB2  PRO   6           2HB      PRO   6   0.814  -6.353   4.993
   26    HB3  PRO   6           1HB      PRO   6  -0.049  -5.029   5.798
   27    HG2  PRO   6           2HG      PRO   6  -1.093  -7.604   4.746
   28    HG3  PRO   6           1HG      PRO   6  -1.578  -6.687   6.182
   29    HD2  PRO   6           2HD      PRO   6  -2.936  -6.682   3.738
   30    HD3  PRO   6           1HD      PRO   6  -3.113  -5.458   5.014
   31    H    ARG   7           H        ARG   7  -1.383  -6.100   1.642
   32    HA   ARG   7           HA       ARG   7   1.014  -7.546   0.739
   33    HB2  ARG   7           2HB      ARG   7  -1.326  -8.598   1.004
   34    HB3  ARG   7           1HB      ARG   7  -1.726  -7.741  -0.481
   35    HG2  ARG   7           2HG      ARG   7  -0.094  -8.909  -1.742
   36    HG3  ARG   7           1HG      ARG   7   0.726  -9.494  -0.293
   37    HD2  ARG   7           2HD      ARG   7  -2.058 -10.288  -1.197
   38    HD3  ARG   7           1HD      ARG   7  -0.608 -11.289  -1.315
   39    HE   ARG   7           HE       ARG   7  -1.188 -10.353   1.374
   40   HH11  ARG   7          1HH2      ARG   7  -1.745 -12.779  -0.988
   41   HH12  ARG   7          2HH2      ARG   7  -2.125 -13.995   0.175
   42   HH21  ARG   7          1HH1      ARG   7  -1.678 -11.916   2.857
   43   HH22  ARG   7          2HH1      ARG   7  -2.068 -13.515   2.341
   44    H    ABA   8           H        ABA   8  -1.341  -5.160  -0.426
   45    HA   ABA   8           HA       ABA   8  -0.108  -4.949  -3.027
   46    HB3  ABA   8           1HB      ABA   8  -2.573  -4.260  -1.962
   47    HB2  ABA   8           2HB      ABA   8  -1.982  -3.819  -3.560
   48    HG1  ABA   8           HG       ABA   8  -1.139  -1.658  -2.643
   49    H    ASN   9           H        ASN   9   0.105  -3.220   0.028
   50    HA   ASN   9           HA       ASN   9   1.397  -0.897  -0.842
   51    HB2  ASN   9           2HB      ASN   9   1.749  -0.445   1.383
   52    HB3  ASN   9           1HB      ASN   9   0.530  -1.704   1.544
   53   HD21  ASN   9          1HD2      ASN   9   4.084  -1.202   1.594
   54   HD22  ASN   9          2HD2      ASN   9   4.396  -2.543   2.582
   55    H    TYR  10           H        TYR  10   3.409  -0.428  -1.513
   56    HA   TYR  10           HA       TYR  10   5.305  -2.619  -1.805
   57    HB2  TYR  10           2HB      TYR  10   6.317  -0.163  -2.850
   58    HB3  TYR  10           1HB      TYR  10   5.811  -1.597  -3.727
   59    HD1  TYR  10           1HD      TYR  10   3.052  -1.850  -3.654
   60    HD2  TYR  10           2HD      TYR  10   5.308   1.798  -3.530
   61    HE1  TYR  10           1HE      TYR  10   1.090  -0.610  -4.538
   62    HE2  TYR  10           2HE      TYR  10   3.346   3.039  -4.416
   63    HH   TYR  10           HH       TYR  10   0.985   1.870  -5.978
   64    H    ASP  11           H        ASP  11   7.717  -1.441  -1.748
   65    HA   ASP  11           HA       ASP  11   8.194  -1.088   1.065
   66    HB2  ASP  11           2HB      ASP  11   9.710  -1.756  -1.256
   67    HB3  ASP  11           1HB      ASP  11  10.483  -0.376  -0.482
   68    H    HIS  12           H        HIS  12   7.088   0.980  -1.205
   69    HA   HIS  12           HA       HIS  12   7.534   3.311   0.415
   70    HB2  HIS  12           2HB      HIS  12   8.619   4.611  -1.480
   71    HB3  HIS  12           1HB      HIS  12   9.651   3.425  -0.689
   72    HD2  HIS  12           2HD      HIS  12   7.330   1.559  -3.003
   73    HE1  HIS  12           1HE      HIS  12  10.797   2.334  -5.288
   74    HE2  HIS  12           2HE      HIS  12   8.630   1.005  -5.210
   75    HA   PRO  13           HA       PRO  13   3.779   3.319  -2.251
   76    HB2  PRO  13           2HB      PRO  13   1.903   3.269  -0.300
   77    HB3  PRO  13           1HB      PRO  13   2.717   1.800  -0.873
   78    HG2  PRO  13           2HG      PRO  13   3.149   3.354   1.616
   79    HG3  PRO  13           1HG      PRO  13   3.285   1.611   1.331
   80    HD2  PRO  13           2HD      PRO  13   5.429   3.437   1.442
   81    HD3  PRO  13           1HD      PRO  13   5.508   1.776   0.813
   82    H    GLU  14           H        GLU  14   1.744   4.824  -2.025
   83    HA   GLU  14           HA       GLU  14   2.294   7.351  -0.665
   84    HB2  GLU  14           2HB      GLU  14   2.797   6.907  -3.484
   85    HB3  GLU  14           1HB      GLU  14   1.552   8.136  -3.260
   86    HG2  GLU  14           2HG      GLU  14   2.992   9.608  -2.249
   87    HG3  GLU  14           1HG      GLU  14   3.928   8.330  -1.478
   88    H    ILE  15           H        ILE  15   0.458   8.559  -0.283
   89    HA   ILE  15           HA       ILE  15  -1.765   8.904   0.159
   90    HB   ILE  15           HB       ILE  15  -1.931   7.927  -2.683
   91   HG12  ILE  15          2HG1      ILE  15  -0.511   9.981  -2.092
   92   HG13  ILE  15          1HG1      ILE  15  -1.767  10.221  -3.303
   93   HG21  ILE  15          1HG2      ILE  15  -3.971   8.959  -0.775
   94   HG22  ILE  15          2HG2      ILE  15  -4.163   7.844  -2.128
   95   HG23  ILE  15          3HG2      ILE  15  -4.040   9.577  -2.423
   96   HD11  ILE  15          3HD1      ILE  15  -2.702  10.643  -0.545
   97   HD12  ILE  15          1HD1      ILE  15  -2.932  11.644  -1.977
   98   HD13  ILE  15          2HD1      ILE  15  -1.440  11.768  -1.046
   99    H    CYS  16           H        CYS  16  -1.904   7.294   1.750
  100    HA   CYS  16           HA       CYS  16  -3.047   5.604   2.812
  101    HB2  CYS  16           2HB      CYS  16  -4.613   6.120   0.525
  102    HB3  CYS  16           1HB      CYS  16  -4.450   4.372   0.634
  103    HN1  NH2  17           2H       CYS  16  -1.517   2.501   2.257
  104    HN2  NH2  17           1H       CYS  16  -2.397   3.499   3.308
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1  -7.402   2.354  -3.610
    2    H2   GLY   1           2HT      GLY   1  -7.033   2.780  -2.008
    3    H3   GLY   1           3HT      GLY   1  -7.717   1.268  -2.349
    4    HA2  GLY   1           2HA      GLY   1  -5.683   0.776  -3.731
    5    HA3  GLY   1           1HA      GLY   1  -4.977   2.207  -2.982
    6    H    ABA   2           H        ABA   2  -3.402   0.603  -2.149
    7    HA   ABA   2           HA       ABA   2  -4.190  -1.364  -0.228
    8    HB3  ABA   2           1HB      ABA   2  -1.541  -0.798   0.305
    9    HB2  ABA   2           2HB      ABA   2  -1.701  -0.325  -1.384
   10    HG1  ABA   2           HG       ABA   2  -2.529  -3.081  -0.359
   11    H    CYS   3           H        CYS   3  -5.610   0.653   0.705
   12    HA   CYS   3           HA       CYS   3  -4.206   2.345   2.566
   13    HB2  CYS   3           2HB      CYS   3  -7.003   1.890   1.777
   14    HB3  CYS   3           1HB      CYS   3  -6.790   2.335   3.469
   15    H    SER   4           H        SER   4  -6.112  -0.639   2.897
   16    HA   SER   4           HA       SER   4  -4.952  -0.958   5.611
   17    HB2  SER   4           2HB      SER   4  -7.342  -0.592   5.832
   18    HB3  SER   4           1HB      SER   4  -7.680  -1.820   4.610
   19    HG   SER   4           HG       SER   4  -6.351  -3.214   6.149
   20    H    ASP   5           H        ASP   5  -4.346  -1.925   2.700
   21    HA   ASP   5           HA       ASP   5  -4.253  -4.814   3.269
   22    HB2  ASP   5           2HB      ASP   5  -4.484  -3.165   0.808
   23    HB3  ASP   5           1HB      ASP   5  -3.577  -4.664   0.686
   24    HA   PRO   6           HA       PRO   6   0.119  -3.632   3.955
   25    HB2  PRO   6           2HB      PRO   6   0.716  -5.863   5.439
   26    HB3  PRO   6           1HB      PRO   6  -0.020  -4.400   6.118
   27    HG2  PRO   6           2HG      PRO   6  -1.300  -6.974   5.344
   28    HG3  PRO   6           1HG      PRO   6  -1.623  -5.922   6.733
   29    HD2  PRO   6           2HD      PRO   6  -3.210  -5.965   4.508
   30    HD3  PRO   6           1HD      PRO   6  -3.006  -4.521   5.522
   31    H    ARG   7           H        ARG   7  -1.445  -6.097   2.317
   32    HA   ARG   7           HA       ARG   7   0.826  -7.672   1.513
   33    HB2  ARG   7           2HB      ARG   7  -1.617  -8.420   1.589
   34    HB3  ARG   7           1HB      ARG   7  -1.838  -7.509   0.098
   35    HG2  ARG   7           2HG      ARG   7  -0.805  -9.092  -1.141
   36    HG3  ARG   7           1HG      ARG   7   0.530  -9.224   0.005
   37    HD2  ARG   7           2HD      ARG   7  -2.204 -10.465   0.402
   38    HD3  ARG   7           1HD      ARG   7  -0.787 -11.333  -0.190
   39    HE   ARG   7           HE       ARG   7  -0.243  -9.996   2.294
   40   HH11  ARG   7          1HH2      ARG   7  -1.884 -12.699   0.946
   41   HH12  ARG   7          2HH2      ARG   7  -1.608 -13.714   2.318
   42   HH21  ARG   7          1HH1      ARG   7   0.082 -11.280   4.063
   43   HH22  ARG   7          2HH1      ARG   7  -0.495 -12.909   4.081
   44    H    ABA   8           H        ABA   8  -1.322  -5.525  -0.382
   45    HA   ABA   8           HA       ABA   8   0.374  -5.392  -2.638
   46    HB3  ABA   8           1HB      ABA   8  -2.188  -4.594  -2.078
   47    HB2  ABA   8           2HB      ABA   8  -1.297  -4.141  -3.529
   48    HG1  ABA   8           HG       ABA   8  -0.594  -2.019  -2.412
   49    H    ASN   9           H        ASN   9   0.214  -3.491   0.304
   50    HA   ASN   9           HA       ASN   9   1.486  -1.169  -0.171
   51    HB2  ASN   9           2HB      ASN   9   0.902  -1.730   2.065
   52    HB3  ASN   9           1HB      ASN   9   1.954  -3.141   2.065
   53   HD21  ASN   9          1HD2      ASN   9   4.387  -2.501   1.596
   54   HD22  ASN   9          2HD2      ASN   9   4.940  -1.130   2.429
   55    H    TYR  10           H        TYR  10   3.129  -0.722  -1.517
   56    HA   TYR  10           HA       TYR  10   5.259  -2.603  -1.999
   57    HB2  TYR  10           2HB      TYR  10   5.724   0.042  -3.095
   58    HB3  TYR  10           1HB      TYR  10   5.489  -1.486  -3.932
   59    HD1  TYR  10           2HD      TYR  10   2.999  -2.376  -3.977
   60    HD2  TYR  10           1HD      TYR  10   4.120   1.715  -3.329
   61    HE1  TYR  10           2HE      TYR  10   0.737  -1.649  -4.675
   62    HE2  TYR  10           1HE      TYR  10   1.851   2.444  -4.036
   63    HH   TYR  10           HH       TYR  10  -0.125   0.854  -5.765
   64    H    ASP  11           H        ASP  11   7.426  -0.967  -2.377
   65    HA   ASP  11           HA       ASP  11   8.409  -0.687   0.312
   66    HB2  ASP  11           2HB      ASP  11   9.501  -0.921  -2.339
   67    HB3  ASP  11           1HB      ASP  11  10.242   0.449  -1.519
   68    H    HIS  12           H        HIS  12   6.674   1.359  -1.681
   69    HA   HIS  12           HA       HIS  12   7.063   3.606   0.080
   70    HB2  HIS  12           2HB      HIS  12   7.827   5.145  -1.797
   71    HB3  HIS  12           1HB      HIS  12   9.029   4.016  -1.182
   72    HD2  HIS  12           2HD      HIS  12   6.613   2.195  -3.469
   73    HE1  HIS  12           1HE      HIS  12   9.891   3.261  -5.897
   74    HE2  HIS  12           2HE      HIS  12   7.769   1.860  -5.783
   75    HA   PRO  13           HA       PRO  13   3.056   3.360  -2.367
   76    HB2  PRO  13           2HB      PRO  13   1.404   3.057  -0.193
   77    HB3  PRO  13           1HB      PRO  13   2.085   1.700  -1.111
   78    HG2  PRO  13           2HG      PRO  13   2.951   2.856   1.487
   79    HG3  PRO  13           1HG      PRO  13   2.913   1.166   0.959
   80    HD2  PRO  13           2HD      PRO  13   5.214   2.653   1.038
   81    HD3  PRO  13           1HD      PRO  13   4.965   1.310  -0.099
   82    H    GLU  14           H        GLU  14   1.620   5.094  -2.592
   83    HA   GLU  14           HA       GLU  14   2.440   7.594  -1.509
   84    HB2  GLU  14           2HB      GLU  14   0.836   6.714  -3.631
   85    HB3  GLU  14           1HB      GLU  14  -0.254   7.631  -2.594
   86    HG2  GLU  14           2HG      GLU  14   0.851   9.108  -4.242
   87    HG3  GLU  14           1HG      GLU  14   1.312   9.533  -2.599
   88    H    ILE  15           H        ILE  15   2.035   6.068   0.678
   89    HA   ILE  15           HA       ILE  15   0.761   5.724   2.606
   90    HB   ILE  15           HB       ILE  15   0.577   8.716   2.306
   91   HG12  ILE  15          2HG1      ILE  15   2.879   7.618   1.858
   92   HG13  ILE  15          1HG1      ILE  15   2.806   8.898   3.064
   93   HG21  ILE  15          1HG2      ILE  15   0.536   6.792   4.631
   94   HG22  ILE  15          2HG2      ILE  15  -0.615   8.072   4.247
   95   HG23  ILE  15          3HG2      ILE  15   0.990   8.481   4.851
   96   HD11  ILE  15          3HD1      ILE  15   2.559   5.967   3.782
   97   HD12  ILE  15          1HD1      ILE  15   2.834   7.326   4.872
   98   HD13  ILE  15          2HD1      ILE  15   4.103   6.817   3.758
   99    H    CYS  16           H        CYS  16  -1.044   4.674   1.487
  100    HA   CYS  16           HA       CYS  16  -3.318   4.307   1.379
  101    HB2  CYS  16           2HB      CYS  16  -3.046   6.383   3.294
  102    HB3  CYS  16           1HB      CYS  16  -4.388   6.810   2.242
  103    HN1  NH2  17           2H       CYS  16  -5.055   6.747  -0.885
  104    HN2  NH2  17           1H       CYS  16  -5.411   6.147   0.661
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  -2.996   3.250  -2.375
    2    H2   GLY   1           2HT      GLY   1  -4.203   3.828  -3.418
    3    H3   GLY   1           3HT      GLY   1  -3.115   2.638  -3.948
    4    HA2  GLY   1           2HA      GLY   1  -5.481   2.389  -2.258
    5    HA3  GLY   1           1HA      GLY   1  -4.839   1.268  -3.455
    6    H    ABA   2           H        ABA   2  -4.901  -0.518  -2.066
    7    HA   ABA   2           HA       ABA   2  -4.320  -1.909  -0.342
    8    HB3  ABA   2           1HB      ABA   2  -1.559  -1.102  -0.191
    9    HB2  ABA   2           2HB      ABA   2  -2.096  -1.136  -1.864
   10    HG1  ABA   2           HG       ABA   2  -2.492  -3.492   0.025
   11    H    CYS   3           H        CYS   3  -5.409   0.480   0.639
   12    HA   CYS   3           HA       CYS   3  -3.793   1.595   2.735
   13    HB2  CYS   3           2HB      CYS   3  -6.263   2.201   1.566
   14    HB3  CYS   3           1HB      CYS   3  -6.644   1.790   3.235
   15    H    SER   4           H        SER   4  -6.304  -0.887   2.573
   16    HA   SER   4           HA       SER   4  -5.988  -1.495   5.426
   17    HB2  SER   4           2HB      SER   4  -7.824  -3.260   4.668
   18    HB3  SER   4           1HB      SER   4  -8.232  -1.574   4.975
   19    HG   SER   4           HG       SER   4  -8.984  -2.452   2.914
   20    H    ASP   5           H        ASP   5  -4.927  -2.694   2.360
   21    HA   ASP   5           HA       ASP   5  -4.261  -5.320   3.486
   22    HB2  ASP   5           2HB      ASP   5  -5.341  -5.189   1.261
   23    HB3  ASP   5           1HB      ASP   5  -3.953  -4.297   0.657
   24    HA   PRO   6           HA       PRO   6  -0.146  -3.556   4.102
   25    HB2  PRO   6           2HB      PRO   6   0.643  -5.324   6.006
   26    HB3  PRO   6           1HB      PRO   6  -0.460  -3.980   6.357
   27    HG2  PRO   6           2HG      PRO   6  -1.043  -6.862   6.007
   28    HG3  PRO   6           1HG      PRO   6  -1.821  -5.666   7.055
   29    HD2  PRO   6           2HD      PRO   6  -2.819  -6.568   4.590
   30    HD3  PRO   6           1HD      PRO   6  -3.352  -5.115   5.457
   31    H    ARG   7           H        ARG   7  -1.169  -6.340   2.614
   32    HA   ARG   7           HA       ARG   7   1.496  -7.520   2.253
   33    HB2  ARG   7           2HB      ARG   7  -0.881  -8.610   0.846
   34    HB3  ARG   7           1HB      ARG   7   0.437  -9.458   1.619
   35    HG2  ARG   7           2HG      ARG   7  -1.701  -7.954   3.149
   36    HG3  ARG   7           1HG      ARG   7  -1.807  -9.671   2.775
   37    HD2  ARG   7           2HD      ARG   7  -0.084  -8.268   4.726
   38    HD3  ARG   7           1HD      ARG   7  -0.763  -9.890   4.778
   39    HE   ARG   7           HE       ARG   7   1.791  -9.115   3.617
   40   HH11  ARG   7          1HH2      ARG   7  -0.696 -11.476   3.819
   41   HH12  ARG   7          2HH2      ARG   7   0.330 -12.775   3.314
   42   HH21  ARG   7          1HH1      ARG   7   3.098 -10.787   2.989
   43   HH22  ARG   7          2HH1      ARG   7   2.458 -12.390   2.869
   44    H    ABA   8           H        ABA   8  -1.152  -6.088   0.358
   45    HA   ABA   8           HA       ABA   8   0.107  -6.290  -2.174
   46    HB3  ABA   8           1HB      ABA   8  -2.362  -5.433  -1.197
   47    HB2  ABA   8           2HB      ABA   8  -1.846  -5.415  -2.878
   48    HG1  ABA   8           HG       ABA   8  -1.008  -3.054  -2.550
   49    H    ASN   9           H        ASN   9   0.419  -4.108   0.470
   50    HA   ASN   9           HA       ASN   9   1.368  -1.767  -0.545
   51    HB2  ASN   9           2HB      ASN   9   1.222  -1.917   1.800
   52    HB3  ASN   9           1HB      ASN   9   2.230  -3.363   1.860
   53   HD21  ASN   9          1HD2      ASN   9   4.353  -2.968   2.456
   54   HD22  ASN   9          2HD2      ASN   9   5.156  -1.485   2.274
   55    H    TYR  10           H        TYR  10   3.134  -1.017  -1.551
   56    HA   TYR  10           HA       TYR  10   5.087  -2.937  -2.550
   57    HB2  TYR  10           2HB      TYR  10   5.424  -0.182  -3.434
   58    HB3  TYR  10           1HB      TYR  10   5.116  -1.632  -4.382
   59    HD1  TYR  10           1HD      TYR  10   2.658  -2.600  -4.206
   60    HD2  TYR  10           2HD      TYR  10   3.756   1.457  -3.312
   61    HE1  TYR  10           1HE      TYR  10   0.303  -1.891  -4.521
   62    HE2  TYR  10           2HE      TYR  10   1.397   2.159  -3.632
   63    HH   TYR  10           HH       TYR  10  -0.780   1.290  -3.654
   64    H    ASP  11           H        ASP  11   7.140  -0.932  -2.985
   65    HA   ASP  11           HA       ASP  11   8.277  -0.903  -0.280
   66    HB2  ASP  11           2HB      ASP  11   9.316  -1.403  -2.878
   67    HB3  ASP  11           1HB      ASP  11  10.114   0.039  -2.257
   68    H    HIS  12           H        HIS  12   6.494   1.113  -2.103
   69    HA   HIS  12           HA       HIS  12   7.078   3.415  -0.523
   70    HB2  HIS  12           2HB      HIS  12   7.782   4.880  -2.470
   71    HB3  HIS  12           1HB      HIS  12   8.989   3.721  -1.931
   72    HD2  HIS  12           2HD      HIS  12   6.428   1.845  -3.973
   73    HE1  HIS  12           1HE      HIS  12   9.441   2.963  -6.711
   74    HE2  HIS  12           2HE      HIS  12   7.383   1.513  -6.384
   75    HA   PRO  13           HA       PRO  13   2.938   3.248  -2.544
   76    HB2  PRO  13           2HB      PRO  13   1.414   3.328  -0.301
   77    HB3  PRO  13           1HB      PRO  13   2.161   1.827  -0.879
   78    HG2  PRO  13           2HG      PRO  13   3.056   3.656   1.303
   79    HG3  PRO  13           1HG      PRO  13   3.026   1.887   1.254
   80    HD2  PRO  13           2HD      PRO  13   5.296   3.390   0.796
   81    HD3  PRO  13           1HD      PRO  13   5.048   1.749   0.154
   82    H    GLU  14           H        GLU  14   1.721   4.899   0.135
   83    HA   GLU  14           HA       GLU  14   2.636   7.543  -0.294
   84    HB2  GLU  14           2HB      GLU  14   1.149   6.822  -2.417
   85    HB3  GLU  14           1HB      GLU  14  -0.149   7.333  -1.340
   86    HG2  GLU  14           2HG      GLU  14   0.345   9.386  -2.268
   87    HG3  GLU  14           1HG      GLU  14   1.523   9.408  -0.963
   88    H    ILE  15           H        ILE  15   0.427   9.020   0.387
   89    HA   ILE  15           HA       ILE  15  -0.015   8.167   3.135
   90    HB   ILE  15           HB       ILE  15  -0.865  10.687   1.682
   91   HG12  ILE  15          2HG1      ILE  15   1.021  11.522   3.360
   92   HG13  ILE  15          1HG1      ILE  15   1.585   9.860   3.200
   93   HG21  ILE  15          1HG2      ILE  15  -1.309   9.635   4.414
   94   HG22  ILE  15          2HG2      ILE  15  -2.229  10.830   3.502
   95   HG23  ILE  15          3HG2      ILE  15  -0.747  11.302   4.332
   96   HD11  ILE  15          3HD1      ILE  15   2.239  10.156   1.037
   97   HD12  ILE  15          1HD1      ILE  15   2.264  11.864   1.478
   98   HD13  ILE  15          2HD1      ILE  15   0.861  11.186   0.655
   99    H    CYS  16           H        CYS  16  -1.474   7.439   0.346
  100    HA   CYS  16           HA       CYS  16  -3.462   6.354  -0.127
  101    HB2  CYS  16           2HB      CYS  16  -3.308   6.208   2.693
  102    HB3  CYS  16           1HB      CYS  16  -4.943   6.722   2.304
  103    HN1  NH2  17           2H       CYS  16  -5.957   8.701  -0.841
  104    HN2  NH2  17           1H       CYS  16  -5.297   7.169  -1.151
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1  -8.373  -2.732  -2.759
    2    H2   GLY   1           2HT      GLY   1  -9.466  -1.707  -3.553
    3    H3   GLY   1           3HT      GLY   1  -9.624  -1.987  -1.888
    4    HA2  GLY   1           2HA      GLY   1  -7.652  -0.333  -3.315
    5    HA3  GLY   1           1HA      GLY   1  -8.625   0.076  -1.906
    6    H    ABA   2           H        ABA   2  -5.652  -1.126  -3.001
    7    HA   ABA   2           HA       ABA   2  -4.849  -2.521  -0.618
    8    HB3  ABA   2           1HB      ABA   2  -2.598  -1.590  -2.144
    9    HB2  ABA   2           2HB      ABA   2  -3.839  -2.181  -3.244
   10    HG1  ABA   2           HG       ABA   2  -3.860  -4.250  -1.471
   11    H    CYS   3           H        CYS   3  -5.240   0.735  -1.284
   12    HA   CYS   3           HA       CYS   3  -3.142   2.140  -0.279
   13    HB2  CYS   3           2HB      CYS   3  -5.971   2.557  -0.463
   14    HB3  CYS   3           1HB      CYS   3  -5.399   3.193   1.077
   15    H    SER   4           H        SER   4  -5.331   0.117   1.573
   16    HA   SER   4           HA       SER   4  -3.723   0.672   4.003
   17    HB2  SER   4           2HB      SER   4  -6.066   1.434   4.168
   18    HB3  SER   4           1HB      SER   4  -6.613  -0.209   3.844
   19    HG   SER   4           HG       SER   4  -5.071  -0.683   5.726
   20    H    ASP   5           H        ASP   5  -3.695  -1.563   1.730
   21    HA   ASP   5           HA       ASP   5  -3.925  -3.914   3.480
   22    HB2  ASP   5           2HB      ASP   5  -4.810  -3.687   1.012
   23    HB3  ASP   5           1HB      ASP   5  -3.151  -4.084   0.593
   24    HA   PRO   6           HA       PRO   6   0.539  -3.429   4.006
   25    HB2  PRO   6           2HB      PRO   6   0.770  -5.243   6.034
   26    HB3  PRO   6           1HB      PRO   6   0.172  -3.589   6.275
   27    HG2  PRO   6           2HG      PRO   6  -1.353  -6.136   6.034
   28    HG3  PRO   6           1HG      PRO   6  -1.622  -4.758   7.114
   29    HD2  PRO   6           2HD      PRO   6  -3.076  -5.176   4.829
   30    HD3  PRO   6           1HD      PRO   6  -2.785  -3.566   5.517
   31    H    ARG   7           H        ARG   7  -1.273  -6.017   2.854
   32    HA   ARG   7           HA       ARG   7   1.059  -7.780   2.477
   33    HB2  ARG   7           2HB      ARG   7  -0.567  -9.445   1.747
   34    HB3  ARG   7           1HB      ARG   7  -1.049  -8.787   3.304
   35    HG2  ARG   7           2HG      ARG   7  -3.034  -8.242   2.416
   36    HG3  ARG   7           1HG      ARG   7  -2.206  -7.098   1.360
   37    HD2  ARG   7           2HD      ARG   7  -2.710 -10.026   0.773
   38    HD3  ARG   7           1HD      ARG   7  -3.539  -8.656   0.046
   39    HE   ARG   7           HE       ARG   7  -0.615  -8.793  -0.265
   40   HH11  ARG   7          1HH2      ARG   7  -3.761  -9.172  -1.619
   41   HH12  ARG   7          2HH2      ARG   7  -3.192  -9.127  -3.251
   42   HH21  ARG   7          1HH1      ARG   7   0.096  -8.745  -2.357
   43   HH22  ARG   7          2HH1      ARG   7  -1.030  -8.866  -3.666
   44    H    ABA   8           H        ABA   8  -0.626  -5.339   0.863
   45    HA   ABA   8           HA       ABA   8   0.404  -6.281  -1.744
   46    HB3  ABA   8           1HB      ABA   8  -2.258  -5.775  -1.032
   47    HB2  ABA   8           2HB      ABA   8  -1.619  -5.990  -2.652
   48    HG1  ABA   8           HG       ABA   8  -1.169  -3.422  -2.639
   49    H    ASN   9           H        ASN   9  -0.007  -3.587   0.459
   50    HA   ASN   9           HA       ASN   9   0.739  -1.398  -1.031
   51    HB2  ASN   9           2HB      ASN   9   1.485  -0.392   1.001
   52    HB3  ASN   9           1HB      ASN   9   0.185  -1.493   1.448
   53   HD21  ASN   9          1HD2      ASN   9   3.251  -0.582   2.378
   54   HD22  ASN   9          2HD2      ASN   9   3.725  -2.010   3.160
   55    H    TYR  10           H        TYR  10   2.671  -0.477  -1.730
   56    HA   TYR  10           HA       TYR  10   4.848  -2.350  -2.141
   57    HB2  TYR  10           2HB      TYR  10   5.305   0.313  -3.191
   58    HB3  TYR  10           1HB      TYR  10   5.190  -1.221  -4.042
   59    HD1  TYR  10           2HD      TYR  10   2.646  -2.218  -3.980
   60    HD2  TYR  10           1HD      TYR  10   3.767   1.919  -3.815
   61    HE1  TYR  10           2HE      TYR  10   0.409  -1.579  -4.849
   62    HE2  TYR  10           1HE      TYR  10   1.529   2.558  -4.686
   63    HH   TYR  10           HH       TYR  10  -0.343   0.918  -6.275
   64    H    ASP  11           H        ASP  11   7.036  -0.879  -2.307
   65    HA   ASP  11           HA       ASP  11   7.840  -0.531   0.410
   66    HB2  ASP  11           2HB      ASP  11   9.074  -0.751  -2.174
   67    HB3  ASP  11           1HB      ASP  11   9.753   0.633  -1.324
   68    H    HIS  12           H        HIS  12   6.188   1.492  -1.630
   69    HA   HIS  12           HA       HIS  12   6.473   3.754   0.126
   70    HB2  HIS  12           2HB      HIS  12   7.285   5.301  -1.701
   71    HB3  HIS  12           1HB      HIS  12   8.486   4.151  -1.119
   72    HD2  HIS  12           2HD      HIS  12   6.135   2.289  -3.402
   73    HE1  HIS  12           1HE      HIS  12   9.261   3.624  -5.899
   74    HE2  HIS  12           2HE      HIS  12   7.236   2.095  -5.762
   75    HA   PRO  13           HA       PRO  13   2.523   3.452  -2.279
   76    HB2  PRO  13           2HB      PRO  13   0.841   3.261  -0.151
   77    HB3  PRO  13           1HB      PRO  13   1.678   1.855  -0.836
   78    HG2  PRO  13           2HG      PRO  13   2.301   3.424   1.612
   79    HG3  PRO  13           1HG      PRO  13   2.429   1.682   1.321
   80    HD2  PRO  13           2HD      PRO  13   4.577   3.441   1.254
   81    HD3  PRO  13           1HD      PRO  13   4.545   1.857   0.448
   82    H    GLU  14           H        GLU  14   4.131   5.797  -1.044
   83    HA   GLU  14           HA       GLU  14   3.856   8.069  -0.754
   84    HB2  GLU  14           2HB      GLU  14   1.473   7.263  -2.375
   85    HB3  GLU  14           1HB      GLU  14   1.557   8.910  -1.749
   86    HG2  GLU  14           2HG      GLU  14   3.607   9.338  -2.899
   87    HG3  GLU  14           1HG      GLU  14   3.838   7.634  -3.277
   88    H    ILE  15           H        ILE  15   2.722   6.020   1.203
   89    HA   ILE  15           HA       ILE  15   1.534   5.949   3.161
   90    HB   ILE  15           HB       ILE  15   2.196   8.885   3.000
   91   HG12  ILE  15          2HG1      ILE  15   4.108   7.274   3.069
   92   HG13  ILE  15          1HG1      ILE  15   4.026   8.297   4.502
   93   HG21  ILE  15          1HG2      ILE  15   0.453   8.830   4.575
   94   HG22  ILE  15          2HG2      ILE  15   1.891   8.631   5.576
   95   HG23  ILE  15          3HG2      ILE  15   0.909   7.228   5.155
   96   HD11  ILE  15          3HD1      ILE  15   2.535   6.288   5.417
   97   HD12  ILE  15          1HD1      ILE  15   4.293   6.234   5.511
   98   HD13  ILE  15          2HD1      ILE  15   3.453   5.377   4.220
   99    H    CYS  16           H        CYS  16  -0.389   5.288   2.296
  100    HA   CYS  16           HA       CYS  16  -2.384   6.953   1.185
  101    HB2  CYS  16           2HB      CYS  16  -2.349   4.226   2.394
  102    HB3  CYS  16           1HB      CYS  16  -3.887   4.971   1.958
  103    HN1  NH2  17           2H       CYS  16  -4.482   7.972   3.874
  104    HN2  NH2  17           1H       CYS  16  -4.431   7.663   2.209
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1  -7.905   0.772  -2.634
    2    H2   GLY   1           2HT      GLY   1  -7.684   1.923  -3.862
    3    H3   GLY   1           3HT      GLY   1  -7.324   2.321  -2.254
    4    HA2  GLY   1           2HA      GLY   1  -5.872   0.412  -4.004
    5    HA3  GLY   1           1HA      GLY   1  -5.269   1.931  -3.347
    6    H    ABA   2           H        ABA   2  -3.535   0.408  -2.536
    7    HA   ABA   2           HA       ABA   2  -4.127  -1.476  -0.468
    8    HB3  ABA   2           1HB      ABA   2  -1.505  -0.786  -0.043
    9    HB2  ABA   2           2HB      ABA   2  -1.717  -0.323  -1.728
   10    HG1  ABA   2           HG       ABA   2  -2.751  -3.048  -1.050
   11    H    CYS   3           H        CYS   3  -5.633   0.379   0.482
   12    HA   CYS   3           HA       CYS   3  -4.170   2.157   2.295
   13    HB2  CYS   3           2HB      CYS   3  -6.895   2.004   1.230
   14    HB3  CYS   3           1HB      CYS   3  -6.844   2.374   2.952
   15    H    SER   4           H        SER   4  -6.255  -0.679   2.439
   16    HA   SER   4           HA       SER   4  -5.579  -0.974   5.309
   17    HB2  SER   4           2HB      SER   4  -8.029  -0.523   4.663
   18    HB3  SER   4           1HB      SER   4  -8.025  -2.161   4.011
   19    HG   SER   4           HG       SER   4  -8.539  -1.606   6.423
   20    H    ASP   5           H        ASP   5  -4.517  -2.073   2.539
   21    HA   ASP   5           HA       ASP   5  -4.341  -4.880   3.453
   22    HB2  ASP   5           2HB      ASP   5  -5.158  -3.774   0.886
   23    HB3  ASP   5           1HB      ASP   5  -3.825  -4.904   0.722
   24    HA   PRO   6           HA       PRO   6  -0.083  -3.056   3.543
   25    HB2  PRO   6           2HB      PRO   6   0.245  -5.298   5.464
   26    HB3  PRO   6           1HB      PRO   6   0.674  -3.587   5.645
   27    HG2  PRO   6           2HG      PRO   6  -1.407  -4.661   6.931
   28    HG3  PRO   6           1HG      PRO   6  -1.426  -2.992   6.336
   29    HD2  PRO   6           2HD      PRO   6  -2.783  -5.412   5.201
   30    HD3  PRO   6           1HD      PRO   6  -3.335  -3.723   5.247
   31    H    ARG   7           H        ARG   7  -1.514  -5.985   2.664
   32    HA   ARG   7           HA       ARG   7   0.670  -7.671   2.119
   33    HB2  ARG   7           2HB      ARG   7  -1.974  -7.983   1.919
   34    HB3  ARG   7           1HB      ARG   7  -1.637  -7.623   0.226
   35    HG2  ARG   7           2HG      ARG   7  -0.551  -9.601  -0.113
   36    HG3  ARG   7           1HG      ARG   7   0.226  -9.557   1.470
   37    HD2  ARG   7           2HD      ARG   7  -2.688 -10.242   0.989
   38    HD3  ARG   7           1HD      ARG   7  -1.407 -11.420   1.277
   39    HE   ARG   7           HE       ARG   7  -1.456  -9.469   3.364
   40   HH11  ARG   7          1HH2      ARG   7  -3.114 -12.215   2.136
   41   HH12  ARG   7          2HH2      ARG   7  -3.758 -12.668   3.673
   42   HH21  ARG   7          1HH1      ARG   7  -2.282 -10.066   5.343
   43   HH22  ARG   7          2HH1      ARG   7  -3.291 -11.466   5.469
   44    H    ABA   8           H        ABA   8  -0.883  -5.195   0.115
   45    HA   ABA   8           HA       ABA   8   0.930  -5.588  -2.103
   46    HB3  ABA   8           1HB      ABA   8  -1.577  -4.713  -2.015
   47    HB2  ABA   8           2HB      ABA   8  -0.450  -4.196  -3.257
   48    HG1  ABA   8           HG       ABA   8   0.060  -2.152  -1.737
   49    H    ASN   9           H        ASN   9   1.339  -4.158   0.816
   50    HA   ASN   9           HA       ASN   9   2.427  -1.668   0.515
   51    HB2  ASN   9           2HB      ASN   9   2.270  -2.750   2.688
   52    HB3  ASN   9           1HB      ASN   9   3.495  -3.924   2.226
   53   HD21  ASN   9          1HD2      ASN   9   5.704  -2.939   1.666
   54   HD22  ASN   9          2HD2      ASN   9   6.185  -1.563   2.535
   55    H    TYR  10           H        TYR  10   3.468  -1.321  -1.457
   56    HA   TYR  10           HA       TYR  10   5.731  -2.895  -2.288
   57    HB2  TYR  10           2HB      TYR  10   4.847  -0.210  -3.357
   58    HB3  TYR  10           1HB      TYR  10   5.794  -1.442  -4.179
   59    HD1  TYR  10           2HD      TYR  10   4.670  -3.792  -4.447
   60    HD2  TYR  10           1HD      TYR  10   2.525  -0.160  -3.645
   61    HE1  TYR  10           2HE      TYR  10   2.583  -4.832  -5.297
   62    HE2  TYR  10           1HE      TYR  10   0.444  -1.200  -4.494
   63    HH   TYR  10           HH       TYR  10  -0.419  -2.963  -5.564
   64    H    ASP  11           H        ASP  11   7.328  -0.738  -3.292
   65    HA   ASP  11           HA       ASP  11   8.960  -0.229  -0.982
   66    HB2  ASP  11           2HB      ASP  11   9.176   0.033  -3.896
   67    HB3  ASP  11           1HB      ASP  11  10.002   1.309  -3.007
   68    H    HIS  12           H        HIS  12   6.326   1.303  -2.317
   69    HA   HIS  12           HA       HIS  12   6.535   3.573  -0.553
   70    HB2  HIS  12           2HB      HIS  12   6.389   5.270  -2.387
   71    HB3  HIS  12           1HB      HIS  12   7.936   4.431  -2.335
   72    HD2  HIS  12           2HD      HIS  12   5.660   1.956  -3.901
   73    HE1  HIS  12           1HE      HIS  12   6.986   4.289  -7.156
   74    HE2  HIS  12           2HE      HIS  12   5.832   2.117  -6.501
   75    HA   PRO  13           HA       PRO  13   2.307   1.965  -1.766
   76    HB2  PRO  13           2HB      PRO  13   1.823   2.180   1.140
   77    HB3  PRO  13           1HB      PRO  13   1.548   0.810   0.045
   78    HG2  PRO  13           2HG      PRO  13   3.535   0.857   1.871
   79    HG3  PRO  13           1HG      PRO  13   3.654  -0.012   0.333
   80    HD2  PRO  13           2HD      PRO  13   4.910   2.578   1.137
   81    HD3  PRO  13           1HD      PRO  13   5.525   1.310   0.050
   82    H    GLU  14           H        GLU  14   3.620   4.724  -0.295
   83    HA   GLU  14           HA       GLU  14   2.950   6.918  -0.313
   84    HB2  GLU  14           2HB      GLU  14   1.737   6.068  -2.460
   85    HB3  GLU  14           1HB      GLU  14   0.285   6.161  -1.464
   86    HG2  GLU  14           2HG      GLU  14   1.981   8.540  -1.199
   87    HG3  GLU  14           1HG      GLU  14   1.432   8.284  -2.851
   88    H    ILE  15           H        ILE  15   1.483   8.377   0.774
   89    HA   ILE  15           HA       ILE  15   0.556   7.277   3.275
   90    HB   ILE  15           HB       ILE  15   0.336  10.101   2.207
   91   HG12  ILE  15          2HG1      ILE  15   2.335  10.271   3.946
   92   HG13  ILE  15          1HG1      ILE  15   2.537   8.565   3.550
   93   HG21  ILE  15          1HG2      ILE  15  -0.550   8.789   4.648
   94   HG22  ILE  15          2HG2      ILE  15  -0.860  10.433   4.092
   95   HG23  ILE  15          3HG2      ILE  15   0.607  10.072   5.001
   96   HD11  ILE  15          3HD1      ILE  15   3.245   9.006   1.425
   97   HD12  ILE  15          1HD1      ILE  15   3.660  10.577   2.109
   98   HD13  ILE  15          2HD1      ILE  15   2.145  10.371   1.232
   99    H    CYS  16           H        CYS  16  -0.933   6.010   1.476
  100    HA   CYS  16           HA       CYS  16  -3.070   5.597   0.686
  101    HB2  CYS  16           2HB      CYS  16  -3.225   6.511   3.452
  102    HB3  CYS  16           1HB      CYS  16  -4.728   6.716   2.566
  103    HN1  NH2  17           2H       CYS  16  -3.290   9.156  -0.639
  104    HN2  NH2  17           1H       CYS  16  -1.953   8.170  -0.294
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1  -5.102   1.800  -3.610
    2    H2   GLY   1           2HT      GLY   1  -6.276   2.622  -4.518
    3    H3   GLY   1           3HT      GLY   1  -5.992   0.974  -4.794
    4    HA2  GLY   1           2HA      GLY   1  -7.539   2.278  -2.708
    5    HA3  GLY   1           1HA      GLY   1  -7.811   0.731  -3.498
    6    H    ABA   2           H        ABA   2  -4.801   0.237  -2.929
    7    HA   ABA   2           HA       ABA   2  -5.101  -1.423  -0.681
    8    HB3  ABA   2           1HB      ABA   2  -2.348  -0.602  -1.005
    9    HB2  ABA   2           2HB      ABA   2  -3.083  -0.841  -2.584
   10    HG1  ABA   2           HG       ABA   2  -3.888  -3.121  -1.084
   11    H    CYS   3           H        CYS   3  -6.209   0.233   0.718
   12    HA   CYS   3           HA       CYS   3  -4.453   2.177   2.034
   13    HB2  CYS   3           2HB      CYS   3  -7.210   2.014   1.546
   14    HB3  CYS   3           1HB      CYS   3  -7.038   1.822   3.288
   15    H    SER   4           H        SER   4  -6.319  -0.720   2.879
   16    HA   SER   4           HA       SER   4  -4.787  -0.909   5.411
   17    HB2  SER   4           2HB      SER   4  -7.556  -1.831   4.660
   18    HB3  SER   4           1HB      SER   4  -6.714  -2.469   6.069
   19    HG   SER   4           HG       SER   4  -6.459  -0.264   6.758
   20    H    ASP   5           H        ASP   5  -3.830  -1.837   2.812
   21    HA   ASP   5           HA       ASP   5  -3.753  -4.747   3.339
   22    HB2  ASP   5           2HB      ASP   5  -4.447  -3.348   0.975
   23    HB3  ASP   5           1HB      ASP   5  -2.905  -4.131   0.683
   24    HA   PRO   6           HA       PRO   6   0.511  -3.220   4.094
   25    HB2  PRO   6           2HB      PRO   6   1.110  -5.223   5.893
   26    HB3  PRO   6           1HB      PRO   6   0.359  -3.679   6.340
   27    HG2  PRO   6           2HG      PRO   6  -0.883  -6.350   5.961
   28    HG3  PRO   6           1HG      PRO   6  -1.270  -5.075   7.127
   29    HD2  PRO   6           2HD      PRO   6  -2.760  -5.549   4.872
   30    HD3  PRO   6           1HD      PRO   6  -2.645  -3.954   5.644
   31    H    ARG   7           H        ARG   7  -0.920  -5.881   2.686
   32    HA   ARG   7           HA       ARG   7   1.626  -7.211   2.017
   33    HB2  ARG   7           2HB      ARG   7  -1.249  -8.061   1.595
   34    HB3  ARG   7           1HB      ARG   7   0.153  -8.989   1.077
   35    HG2  ARG   7           2HG      ARG   7   0.950  -8.903   3.501
   36    HG3  ARG   7           1HG      ARG   7  -0.649  -8.276   3.907
   37    HD2  ARG   7           2HD      ARG   7  -0.946 -10.570   4.213
   38    HD3  ARG   7           1HD      ARG   7  -1.515 -10.351   2.556
   39    HE   ARG   7           HE       ARG   7   1.176 -10.884   2.295
   40   HH11  ARG   7          1HH2      ARG   7  -1.523 -12.430   3.782
   41   HH12  ARG   7          2HH2      ARG   7  -0.892 -14.025   3.565
   42   HH21  ARG   7          1HH1      ARG   7   1.986 -12.952   2.034
   43   HH22  ARG   7          2HH1      ARG   7   1.085 -14.317   2.593
   44    H    ABA   8           H        ABA   8  -0.884  -5.210   0.658
   45    HA   ABA   8           HA       ABA   8   0.007  -5.706  -2.087
   46    HB3  ABA   8           1HB      ABA   8  -2.451  -4.956  -0.953
   47    HB2  ABA   8           2HB      ABA   8  -2.064  -5.056  -2.663
   48    HG1  ABA   8           HG       ABA   8  -1.198  -2.576  -2.402
   49    H    ASN   9           H        ASN   9   0.149  -3.195   0.382
   50    HA   ASN   9           HA       ASN   9   1.022  -1.027  -1.097
   51    HB2  ASN   9           2HB      ASN   9   1.821  -0.103   0.909
   52    HB3  ASN   9           1HB      ASN   9   0.571  -1.215   1.440
   53   HD21  ASN   9          1HD2      ASN   9   4.138  -1.224   0.837
   54   HD22  ASN   9          2HD2      ASN   9   4.479  -2.241   2.150
   55    H    TYR  10           H        TYR  10   2.963  -0.325  -1.942
   56    HA   TYR  10           HA       TYR  10   4.875  -2.395  -2.552
   57    HB2  TYR  10           2HB      TYR  10   5.733   0.217  -3.398
   58    HB3  TYR  10           1HB      TYR  10   5.230  -1.153  -4.379
   59    HD1  TYR  10           2HD      TYR  10   2.538  -1.589  -4.249
   60    HD2  TYR  10           1HD      TYR  10   4.533   2.164  -3.637
   61    HE1  TYR  10           2HE      TYR  10   0.446  -0.380  -4.825
   62    HE2  TYR  10           1HE      TYR  10   2.435   3.367  -4.211
   63    HH   TYR  10           HH       TYR  10   0.394   3.013  -5.395
   64    H    ASP  11           H        ASP  11   7.265  -1.210  -2.648
   65    HA   ASP  11           HA       ASP  11   8.112  -1.250   0.077
   66    HB2  ASP  11           2HB      ASP  11   9.312  -1.402  -2.521
   67    HB3  ASP  11           1HB      ASP  11  10.168  -0.194  -1.569
   68    H    HIS  12           H        HIS  12   6.776   1.171  -1.768
   69    HA   HIS  12           HA       HIS  12   7.299   3.162   0.240
   70    HB2  HIS  12           2HB      HIS  12   8.386   4.802  -1.261
   71    HB3  HIS  12           1HB      HIS  12   9.388   3.382  -0.999
   72    HD2  HIS  12           2HD      HIS  12   6.906   2.201  -3.492
   73    HE1  HIS  12           1HE      HIS  12   9.902   4.039  -5.832
   74    HE2  HIS  12           2HE      HIS  12   7.865   2.524  -5.913
   75    HA   PRO  13           HA       PRO  13   3.372   3.506  -2.190
   76    HB2  PRO  13           2HB      PRO  13   2.001   3.425   0.383
   77    HB3  PRO  13           1HB      PRO  13   1.865   2.307  -0.985
   78    HG2  PRO  13           2HG      PRO  13   3.016   1.657   1.399
   79    HG3  PRO  13           1HG      PRO  13   3.423   0.886  -0.141
   80    HD2  PRO  13           2HD      PRO  13   4.929   2.991   1.370
   81    HD3  PRO  13           1HD      PRO  13   5.549   1.617   0.423
   82    H    GLU  14           H        GLU  14   1.492   5.093  -1.750
   83    HA   GLU  14           HA       GLU  14   2.647   7.627  -0.762
   84    HB2  GLU  14           2HB      GLU  14   2.002   7.513  -3.174
   85    HB3  GLU  14           1HB      GLU  14   0.333   7.225  -2.675
   86    HG2  GLU  14           2HG      GLU  14   0.267   9.366  -1.502
   87    HG3  GLU  14           1HG      GLU  14   1.969   9.647  -1.860
   88    H    ILE  15           H        ILE  15   2.086   7.258   1.423
   89    HA   ILE  15           HA       ILE  15   0.644   6.969   3.252
   90    HB   ILE  15           HB       ILE  15  -0.563   9.384   1.918
   91   HG12  ILE  15          2HG1      ILE  15   1.899   9.512   1.837
   92   HG13  ILE  15          1HG1      ILE  15   1.246  10.673   2.992
   93   HG21  ILE  15          1HG2      ILE  15  -0.690  10.140   4.327
   94   HG22  ILE  15          2HG2      ILE  15  -0.196   8.515   4.797
   95   HG23  ILE  15          3HG2      ILE  15  -1.721   8.763   3.945
   96   HD11  ILE  15          3HD1      ILE  15   2.718   8.106   3.522
   97   HD12  ILE  15          1HD1      ILE  15   1.593   8.732   4.728
   98   HD13  ILE  15          2HD1      ILE  15   2.977   9.702   4.227
   99    H    CYS  16           H        CYS  16  -0.386   4.979   2.297
  100    HA   CYS  16           HA       CYS  16  -2.339   3.736   2.196
  101    HB2  CYS  16           2HB      CYS  16  -3.203   6.093   3.383
  102    HB3  CYS  16           1HB      CYS  16  -4.274   5.901   1.998
  103    HN1  NH2  17           2H       CYS  16  -2.539   5.630  -1.361
  104    HN2  NH2  17           1H       CYS  16  -1.654   6.291  -0.072
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1  -8.910   1.353  -1.078
    2    H2   GLY   1           2HT      GLY   1  -8.436   0.036  -0.114
    3    H3   GLY   1           3HT      GLY   1  -9.319  -0.227  -1.536
    4    HA2  GLY   1           2HA      GLY   1  -7.480  -0.331  -2.749
    5    HA3  GLY   1           1HA      GLY   1  -6.975   1.243  -2.135
    6    H    ABA   2           H        ABA   2  -5.135  -0.832  -2.605
    7    HA   ABA   2           HA       ABA   2  -4.502  -2.525  -0.522
    8    HB3  ABA   2           1HB      ABA   2  -2.078  -1.292  -1.502
    9    HB2  ABA   2           2HB      ABA   2  -3.195  -1.589  -2.835
   10    HG1  ABA   2           HG       ABA   2  -2.882  -3.864  -0.914
   11    H    CYS   3           H        CYS   3  -4.473   0.893  -0.502
   12    HA   CYS   3           HA       CYS   3  -2.553   1.640   1.319
   13    HB2  CYS   3           2HB      CYS   3  -5.131   2.639   0.472
   14    HB3  CYS   3           1HB      CYS   3  -4.897   2.928   2.193
   15    H    SER   4           H        SER   4  -5.436  -0.228   1.843
   16    HA   SER   4           HA       SER   4  -5.042  -0.256   4.760
   17    HB2  SER   4           2HB      SER   4  -7.299  -1.389   3.098
   18    HB3  SER   4           1HB      SER   4  -7.245  -1.304   4.858
   19    HG   SER   4           HG       SER   4  -7.746   0.742   4.761
   20    H    ASP   5           H        ASP   5  -3.643  -1.940   2.383
   21    HA   ASP   5           HA       ASP   5  -3.695  -4.438   3.965
   22    HB2  ASP   5           2HB      ASP   5  -4.931  -4.396   1.608
   23    HB3  ASP   5           1HB      ASP   5  -3.291  -4.632   1.017
   24    HA   PRO   6           HA       PRO   6   0.718  -3.781   3.770
   25    HB2  PRO   6           2HB      PRO   6   1.446  -5.861   5.338
   26    HB3  PRO   6           1HB      PRO   6   0.663  -4.411   6.001
   27    HG2  PRO   6           2HG      PRO   6  -0.506  -7.081   5.391
   28    HG3  PRO   6           1HG      PRO   6  -0.807  -6.004   6.765
   29    HD2  PRO   6           2HD      PRO   6  -2.478  -6.209   4.569
   30    HD3  PRO   6           1HD      PRO   6  -2.389  -4.782   5.626
   31    H    ARG   7           H        ARG   7  -1.030  -6.424   2.487
   32    HA   ARG   7           HA       ARG   7   1.197  -8.021   1.607
   33    HB2  ARG   7           2HB      ARG   7  -0.926  -9.110   1.930
   34    HB3  ARG   7           1HB      ARG   7  -1.719  -7.993   0.832
   35    HG2  ARG   7           2HG      ARG   7  -1.226 -10.217  -0.203
   36    HG3  ARG   7           1HG      ARG   7  -0.513  -8.856  -1.064
   37    HD2  ARG   7           2HD      ARG   7   0.963 -10.921  -0.611
   38    HD3  ARG   7           1HD      ARG   7   1.651  -9.334  -0.287
   39    HE   ARG   7           HE       ARG   7   0.352 -10.489   2.020
   40   HH11  ARG   7          1HH2      ARG   7   3.219 -10.428   0.130
   41   HH12  ARG   7          2HH2      ARG   7   4.246 -10.906   1.436
   42   HH21  ARG   7          1HH1      ARG   7   1.676 -11.101   3.704
   43   HH22  ARG   7          2HH1      ARG   7   3.379 -11.264   3.450
   44    H    ABA   8           H        ABA   8  -1.167  -6.062  -0.236
   45    HA   ABA   8           HA       ABA   8   0.519  -6.095  -2.576
   46    HB3  ABA   8           1HB      ABA   8  -2.199  -5.709  -2.059
   47    HB2  ABA   8           2HB      ABA   8  -1.404  -5.567  -3.612
   48    HG1  ABA   8           HG       ABA   8  -1.043  -3.100  -3.130
   49    H    ASN   9           H        ASN   9  -0.037  -3.967   0.110
   50    HA   ASN   9           HA       ASN   9   0.815  -1.497  -0.787
   51    HB2  ASN   9           2HB      ASN   9   0.149  -1.417   1.416
   52    HB3  ASN   9           1HB      ASN   9   0.921  -2.944   1.814
   53   HD21  ASN   9          1HD2      ASN   9   3.482  -2.764   1.641
   54   HD22  ASN   9          2HD2      ASN   9   4.146  -1.351   2.308
   55    H    TYR  10           H        TYR  10   2.687  -0.707  -1.584
   56    HA   TYR  10           HA       TYR  10   4.986  -2.457  -1.786
   57    HB2  TYR  10           2HB      TYR  10   5.388   0.239  -2.794
   58    HB3  TYR  10           1HB      TYR  10   5.428  -1.293  -3.652
   59    HD1  TYR  10           2HD      TYR  10   3.027  -2.437  -3.961
   60    HD2  TYR  10           1HD      TYR  10   3.734   1.752  -3.367
   61    HE1  TYR  10           2HE      TYR  10   0.820  -1.923  -4.973
   62    HE2  TYR  10           1HE      TYR  10   1.516   2.267  -4.384
   63    HH   TYR  10           HH       TYR  10  -0.158   0.223  -6.233
   64    H    ASP  11           H        ASP  11   7.101  -0.823  -1.777
   65    HA   ASP  11           HA       ASP  11   7.768  -0.568   0.943
   66    HB2  ASP  11           2HB      ASP  11   9.025   0.004  -1.643
   67    HB3  ASP  11           1HB      ASP  11   9.547   1.087  -0.357
   68    H    HIS  12           H        HIS  12   6.059   1.531  -1.128
   69    HA   HIS  12           HA       HIS  12   5.554   3.424   0.964
   70    HB2  HIS  12           2HB      HIS  12   6.598   5.365  -0.430
   71    HB3  HIS  12           1HB      HIS  12   7.651   4.372   0.573
   72    HD2  HIS  12           2HD      HIS  12   6.432   2.994  -2.856
   73    HE1  HIS  12           1HE      HIS  12  10.576   3.740  -3.154
   74    HE2  HIS  12           2HE      HIS  12   8.567   2.716  -4.341
   75    HA   PRO  13           HA       PRO  13   2.480   3.283  -2.532
   76    HB2  PRO  13           2HB      PRO  13   0.269   3.077  -0.906
   77    HB3  PRO  13           1HB      PRO  13   1.176   1.683  -1.519
   78    HG2  PRO  13           2HG      PRO  13   1.291   2.987   1.155
   79    HG3  PRO  13           1HG      PRO  13   1.357   1.270   0.727
   80    HD2  PRO  13           2HD      PRO  13   3.585   2.709   1.372
   81    HD3  PRO  13           1HD      PRO  13   3.621   1.333   0.244
   82    H    GLU  14           H        GLU  14   3.754   5.587  -1.767
   83    HA   GLU  14           HA       GLU  14   3.523   7.863  -1.451
   84    HB2  GLU  14           2HB      GLU  14   2.174   7.276  -3.579
   85    HB3  GLU  14           1HB      GLU  14   0.749   7.549  -2.578
   86    HG2  GLU  14           2HG      GLU  14   1.168   9.669  -3.557
   87    HG3  GLU  14           1HG      GLU  14   1.855   9.802  -1.941
   88    H    ILE  15           H        ILE  15   2.665   6.134   0.741
   89    HA   ILE  15           HA       ILE  15   1.340   6.107   2.652
   90    HB   ILE  15           HB       ILE  15   2.124   9.021   2.505
   91   HG12  ILE  15          2HG1      ILE  15   4.060   7.549   2.125
   92   HG13  ILE  15          1HG1      ILE  15   4.156   8.288   3.721
   93   HG21  ILE  15          1HG2      ILE  15   1.118   9.132   4.522
   94   HG22  ILE  15          2HG2      ILE  15   2.301   7.972   5.124
   95   HG23  ILE  15          3HG2      ILE  15   0.759   7.406   4.481
   96   HD11  ILE  15          3HD1      ILE  15   4.617   6.070   4.243
   97   HD12  ILE  15          1HD1      ILE  15   3.548   5.443   2.988
   98   HD13  ILE  15          2HD1      ILE  15   2.869   6.106   4.474
   99    H    CYS  16           H        CYS  16  -0.342   6.244   0.451
  100    HA   CYS  16           HA       CYS  16  -2.503   6.754  -0.161
  101    HB2  CYS  16           2HB      CYS  16  -2.449   6.476   2.665
  102    HB3  CYS  16           1HB      CYS  16  -3.532   7.813   2.284
  103    HN1  NH2  17           2H       CYS  16  -1.347  10.466  -0.015
  104    HN2  NH2  17           1H       CYS  16  -0.368   9.094   0.194
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1  -8.219   1.947  -1.112
    2    H2   GLY   1           2HT      GLY   1  -7.937   1.070  -2.539
    3    H3   GLY   1           3HT      GLY   1  -8.110   2.758  -2.598
    4    HA2  GLY   1           2HA      GLY   1  -5.771   1.996  -2.794
    5    HA3  GLY   1           1HA      GLY   1  -6.064   3.104  -1.453
    6    H    ABA   2           H        ABA   2  -3.974   1.047  -1.738
    7    HA   ABA   2           HA       ABA   2  -4.536  -1.238  -0.168
    8    HB3  ABA   2           1HB      ABA   2  -1.777  -0.447   0.083
    9    HB2  ABA   2           2HB      ABA   2  -2.324  -0.182  -1.571
   10    HG1  ABA   2           HG       ABA   2  -2.904  -2.840  -0.224
   11    H    CYS   3           H        CYS   3  -5.784   0.554   1.320
   12    HA   CYS   3           HA       CYS   3  -4.053   1.431   3.525
   13    HB2  CYS   3           2HB      CYS   3  -6.641   2.194   2.470
   14    HB3  CYS   3           1HB      CYS   3  -6.736   1.884   4.201
   15    H    SER   4           H        SER   4  -6.509  -0.949   2.776
   16    HA   SER   4           HA       SER   4  -6.502  -1.973   5.531
   17    HB2  SER   4           2HB      SER   4  -8.290  -3.530   4.475
   18    HB3  SER   4           1HB      SER   4  -8.698  -1.838   4.747
   19    HG   SER   4           HG       SER   4  -8.924  -1.631   2.669
   20    H    ASP   5           H        ASP   5  -4.726  -2.477   2.762
   21    HA   ASP   5           HA       ASP   5  -4.205  -5.294   3.503
   22    HB2  ASP   5           2HB      ASP   5  -5.330  -5.035   1.291
   23    HB3  ASP   5           1HB      ASP   5  -3.942  -4.101   0.741
   24    HA   PRO   6           HA       PRO   6  -0.069  -3.651   4.010
   25    HB2  PRO   6           2HB      PRO   6   0.895  -5.673   5.493
   26    HB3  PRO   6           1HB      PRO   6  -0.332  -4.561   6.137
   27    HG2  PRO   6           2HG      PRO   6  -0.630  -7.351   5.173
   28    HG3  PRO   6           1HG      PRO   6  -1.500  -6.498   6.457
   29    HD2  PRO   6           2HD      PRO   6  -2.411  -6.917   3.797
   30    HD3  PRO   6           1HD      PRO   6  -3.147  -5.856   5.020
   31    H    ARG   7           H        ARG   7  -1.033  -6.212   2.048
   32    HA   ARG   7           HA       ARG   7   1.690  -7.092   1.404
   33    HB2  ARG   7           2HB      ARG   7  -0.091  -8.793   1.612
   34    HB3  ARG   7           1HB      ARG   7  -0.953  -8.039   0.284
   35    HG2  ARG   7           2HG      ARG   7   0.244  -9.282  -1.152
   36    HG3  ARG   7           1HG      ARG   7   1.678  -8.388  -0.653
   37    HD2  ARG   7           2HD      ARG   7   0.710 -11.074   0.236
   38    HD3  ARG   7           1HD      ARG   7   2.343 -10.539  -0.144
   39    HE   ARG   7           HE       ARG   7   1.058 -10.414   2.431
   40   HH11  ARG   7          1HH2      ARG   7   3.382  -8.915   0.382
   41   HH12  ARG   7          2HH2      ARG   7   4.276  -8.235   1.696
   42   HH21  ARG   7          1HH1      ARG   7   2.211  -9.526   4.101
   43   HH22  ARG   7          2HH1      ARG   7   3.614  -8.570   3.778
   44    H    ABA   8           H        ABA   8  -1.040  -5.413  -0.111
   45    HA   ABA   8           HA       ABA   8   0.139  -5.177  -2.678
   46    HB3  ABA   8           1HB      ABA   8  -2.309  -4.543  -1.544
   47    HB2  ABA   8           2HB      ABA   8  -1.821  -4.199  -3.199
   48    HG1  ABA   8           HG       ABA   8  -0.929  -1.936  -2.327
   49    H    ASN   9           H        ASN   9   0.281  -3.117   0.202
   50    HA   ASN   9           HA       ASN   9   1.450  -0.837  -0.818
   51    HB2  ASN   9           2HB      ASN   9   1.813  -0.271   1.350
   52    HB3  ASN   9           1HB      ASN   9   0.903  -1.733   1.696
   53   HD21  ASN   9          1HD2      ASN   9   4.338  -0.838   0.959
   54   HD22  ASN   9          2HD2      ASN   9   4.986  -1.900   2.108
   55    H    TYR  10           H        TYR  10   3.312  -0.364  -1.817
   56    HA   TYR  10           HA       TYR  10   5.195  -2.488  -2.320
   57    HB2  TYR  10           2HB      TYR  10   6.129   0.003  -3.336
   58    HB3  TYR  10           1HB      TYR  10   5.502  -1.378  -4.217
   59    HD1  TYR  10           2HD      TYR  10   2.819  -1.616  -4.068
   60    HD2  TYR  10           1HD      TYR  10   5.040   2.027  -3.580
   61    HE1  TYR  10           2HE      TYR  10   0.799  -0.303  -4.665
   62    HE2  TYR  10           1HE      TYR  10   3.015   3.339  -4.179
   63    HH   TYR  10           HH       TYR  10   0.946   3.143  -5.213
   64    H    ASP  11           H        ASP  11   7.570  -1.381  -2.547
   65    HA   ASP  11           HA       ASP  11   8.632  -1.366   0.059
   66    HB2  ASP  11           2HB      ASP  11   9.695  -0.693  -2.665
   67    HB3  ASP  11           1HB      ASP  11  10.685  -0.435  -1.239
   68    H    HIS  12           H        HIS  12   7.022   1.033  -1.583
   69    HA   HIS  12           HA       HIS  12   7.491   2.991   0.452
   70    HB2  HIS  12           2HB      HIS  12   8.417   4.727  -1.121
   71    HB3  HIS  12           1HB      HIS  12   9.537   3.419  -0.749
   72    HD2  HIS  12           2HD      HIS  12   7.217   1.861  -3.169
   73    HE1  HIS  12           1HE      HIS  12  10.086   3.763  -5.618
   74    HE2  HIS  12           2HE      HIS  12   8.204   2.050  -5.588
   75    HA   PRO  13           HA       PRO  13   3.495   3.135  -1.872
   76    HB2  PRO  13           2HB      PRO  13   2.359   3.651   0.798
   77    HB3  PRO  13           1HB      PRO  13   1.932   2.398  -0.381
   78    HG2  PRO  13           2HG      PRO  13   3.237   1.873   1.932
   79    HG3  PRO  13           1HG      PRO  13   3.436   0.909   0.460
   80    HD2  PRO  13           2HD      PRO  13   5.286   2.944   1.636
   81    HD3  PRO  13           1HD      PRO  13   5.664   1.462   0.730
   82    H    GLU  14           H        GLU  14   1.687   4.927  -1.540
   83    HA   GLU  14           HA       GLU  14   2.923   7.483  -0.740
   84    HB2  GLU  14           2HB      GLU  14   1.710   6.778  -3.404
   85    HB3  GLU  14           1HB      GLU  14   1.838   8.451  -2.852
   86    HG2  GLU  14           2HG      GLU  14   4.373   7.418  -2.346
   87    HG3  GLU  14           1HG      GLU  14   3.929   6.654  -3.868
   88    H    ILE  15           H        ILE  15   1.643   8.365   0.724
   89    HA   ILE  15           HA       ILE  15  -0.274   8.548   2.078
   90    HB   ILE  15           HB       ILE  15  -1.268   9.828  -0.459
   91   HG12  ILE  15          2HG1      ILE  15   1.096  10.409  -0.271
   92   HG13  ILE  15          1HG1      ILE  15   0.121  11.798   0.201
   93   HG21  ILE  15          1HG2      ILE  15  -2.661   9.826   1.655
   94   HG22  ILE  15          2HG2      ILE  15  -2.242  11.433   1.062
   95   HG23  ILE  15          3HG2      ILE  15  -1.368  10.740   2.428
   96   HD11  ILE  15          3HD1      ILE  15   1.736   9.950   1.936
   97   HD12  ILE  15          1HD1      ILE  15   0.356  10.809   2.618
   98   HD13  ILE  15          2HD1      ILE  15   1.702  11.713   1.922
   99    H    CYS  16           H        CYS  16  -0.447   5.979   1.262
  100    HA   CYS  16           HA       CYS  16  -1.871   4.226   0.818
  101    HB2  CYS  16           2HB      CYS  16  -3.150   6.006   2.584
  102    HB3  CYS  16           1HB      CYS  16  -4.379   5.502   1.425
  103    HN1  NH2  17           2H       CYS  16  -2.893   6.069  -2.427
  104    HN2  NH2  17           1H       CYS  16  -1.609   6.450  -1.380
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1  -8.991  -0.159  -2.764
    2    H2   GLY   1           2HT      GLY   1  -9.394   1.033  -1.627
    3    H3   GLY   1           3HT      GLY   1  -8.871  -0.497  -1.109
    4    HA2  GLY   1           2HA      GLY   1  -6.990   0.785  -2.856
    5    HA3  GLY   1           1HA      GLY   1  -7.303   1.699  -1.381
    6    H    ABA   2           H        ABA   2  -4.926   0.063  -2.292
    7    HA   ABA   2           HA       ABA   2  -4.817  -2.224  -0.535
    8    HB3  ABA   2           1HB      ABA   2  -2.239  -1.212  -1.477
    9    HB2  ABA   2           2HB      ABA   2  -3.408  -1.397  -2.780
   10    HG1  ABA   2           HG       ABA   2  -3.721  -3.811  -1.428
   11    H    CYS   3           H        CYS   3  -4.585   1.037   0.079
   12    HA   CYS   3           HA       CYS   3  -2.428   1.484   1.709
   13    HB2  CYS   3           2HB      CYS   3  -5.188   2.503   1.603
   14    HB3  CYS   3           1HB      CYS   3  -4.382   2.705   3.158
   15    H    SER   4           H        SER   4  -5.318  -0.353   2.497
   16    HA   SER   4           HA       SER   4  -4.214  -0.947   5.170
   17    HB2  SER   4           2HB      SER   4  -6.997  -1.505   4.126
   18    HB3  SER   4           1HB      SER   4  -6.442  -1.653   5.791
   19    HG   SER   4           HG       SER   4  -5.831   0.693   5.457
   20    H    ASP   5           H        ASP   5  -3.528  -2.183   2.410
   21    HA   ASP   5           HA       ASP   5  -3.921  -4.997   3.255
   22    HB2  ASP   5           2HB      ASP   5  -5.115  -4.066   1.103
   23    HB3  ASP   5           1HB      ASP   5  -3.527  -4.276   0.379
   24    HA   PRO   6           HA       PRO   6   0.629  -4.097   3.356
   25    HB2  PRO   6           2HB      PRO   6   0.452  -6.459   5.159
   26    HB3  PRO   6           1HB      PRO   6   1.275  -4.906   5.410
   27    HG2  PRO   6           2HG      PRO   6  -0.991  -5.504   6.685
   28    HG3  PRO   6           1HG      PRO   6  -0.635  -3.855   6.137
   29    HD2  PRO   6           2HD      PRO   6  -2.513  -5.870   4.955
   30    HD3  PRO   6           1HD      PRO   6  -2.668  -4.103   5.053
   31    H    ARG   7           H        ARG   7  -1.378  -6.548   2.256
   32    HA   ARG   7           HA       ARG   7   0.722  -8.400   1.436
   33    HB2  ARG   7           2HB      ARG   7  -1.839  -8.816   0.132
   34    HB3  ARG   7           1HB      ARG   7  -0.948  -9.882   1.211
   35    HG2  ARG   7           2HG      ARG   7  -1.805  -8.337   3.108
   36    HG3  ARG   7           1HG      ARG   7  -2.965  -7.755   1.915
   37    HD2  ARG   7           2HD      ARG   7  -4.118  -9.524   2.938
   38    HD3  ARG   7           1HD      ARG   7  -3.441 -10.279   1.490
   39    HE   ARG   7           HE       ARG   7  -1.531 -10.563   3.501
   40   HH11  ARG   7          1HH2      ARG   7  -4.758 -11.546   2.842
   41   HH12  ARG   7          2HH2      ARG   7  -4.656 -12.972   3.810
   42   HH21  ARG   7          1HH1      ARG   7  -1.431 -12.388   4.798
   43   HH22  ARG   7          2HH1      ARG   7  -2.800 -13.438   4.912
   44    H    ABA   8           H        ABA   8  -0.905  -5.633   0.213
   45    HA   ABA   8           HA       ABA   8   0.263  -6.087  -2.471
   46    HB3  ABA   8           1HB      ABA   8  -2.407  -5.578  -1.800
   47    HB2  ABA   8           2HB      ABA   8  -1.689  -5.454  -3.398
   48    HG1  ABA   8           HG       ABA   8  -1.134  -2.992  -2.822
   49    H    ASN   9           H        ASN   9  -0.258  -3.822   0.172
   50    HA   ASN   9           HA       ASN   9   0.815  -1.487  -0.890
   51    HB2  ASN   9           2HB      ASN   9   0.063  -2.432   1.665
   52    HB3  ASN   9           1HB      ASN   9   1.706  -1.822   1.836
   53   HD21  ASN   9          1HD2      ASN   9   1.334   0.202  -0.345
   54   HD22  ASN   9          2HD2      ASN   9   0.346   1.402   0.328
   55    H    TYR  10           H        TYR  10   2.823  -0.832  -1.481
   56    HA   TYR  10           HA       TYR  10   5.001  -2.742  -1.275
   57    HB2  TYR  10           2HB      TYR  10   5.812  -0.351  -2.574
   58    HB3  TYR  10           1HB      TYR  10   5.522  -1.927  -3.288
   59    HD1  TYR  10           1HD      TYR  10   3.005  -2.543  -3.710
   60    HD2  TYR  10           2HD      TYR  10   4.466   1.454  -3.171
   61    HE1  TYR  10           1HE      TYR  10   0.981  -1.650  -4.842
   62    HE2  TYR  10           2HE      TYR  10   2.444   2.347  -4.296
   63    HH   TYR  10           HH       TYR  10   0.045   0.176  -5.743
   64    H    ASP  11           H        ASP  11   7.219  -1.310  -1.246
   65    HA   ASP  11           HA       ASP  11   7.474  -0.464   1.498
   66    HB2  ASP  11           2HB      ASP  11   9.154  -1.499  -0.511
   67    HB3  ASP  11           1HB      ASP  11   9.782   0.103  -0.140
   68    H    HIS  12           H        HIS  12   6.383   1.136  -1.152
   69    HA   HIS  12           HA       HIS  12   6.807   3.727   0.073
   70    HB2  HIS  12           2HB      HIS  12   7.846   4.710  -1.982
   71    HB3  HIS  12           1HB      HIS  12   8.892   3.572  -1.140
   72    HD2  HIS  12           2HD      HIS  12   6.525   1.356  -2.917
   73    HE1  HIS  12           1HE      HIS  12   9.481   2.162  -5.813
   74    HE2  HIS  12           2HE      HIS  12   7.529   0.649  -5.230
   75    HA   PRO  13           HA       PRO  13   2.923   3.190  -2.407
   76    HB2  PRO  13           2HB      PRO  13   1.462   3.958  -0.014
   77    HB3  PRO  13           1HB      PRO  13   1.393   2.431  -0.908
   78    HG2  PRO  13           2HG      PRO  13   2.454   2.719   1.605
   79    HG3  PRO  13           1HG      PRO  13   2.866   1.415   0.482
   80    HD2  PRO  13           2HD      PRO  13   4.425   3.869   1.171
   81    HD3  PRO  13           1HD      PRO  13   5.003   2.244   0.735
   82    H    GLU  14           H        GLU  14   3.685   5.565   0.096
   83    HA   GLU  14           HA       GLU  14   3.708   7.854   0.106
   84    HB2  GLU  14           2HB      GLU  14   3.143   7.609  -2.854
   85    HB3  GLU  14           1HB      GLU  14   3.682   9.064  -2.016
   86    HG2  GLU  14           2HG      GLU  14   5.299   6.562  -1.690
   87    HG3  GLU  14           1HG      GLU  14   5.433   7.442  -3.204
   88    H    ILE  15           H        ILE  15   2.271   9.358   0.670
   89    HA   ILE  15           HA       ILE  15   0.176   9.974   1.475
   90    HB   ILE  15           HB       ILE  15  -0.265  10.145  -1.502
   91   HG12  ILE  15          2HG1      ILE  15   1.965  11.053  -0.744
   92   HG13  ILE  15          1HG1      ILE  15   0.896  12.269  -1.438
   93   HG21  ILE  15          1HG2      ILE  15  -1.382  11.580   0.913
   94   HG22  ILE  15          2HG2      ILE  15  -2.268  10.735  -0.357
   95   HG23  ILE  15          3HG2      ILE  15  -1.478  12.272  -0.705
   96   HD11  ILE  15          3HD1      ILE  15   0.190  12.942   0.837
   97   HD12  ILE  15          1HD1      ILE  15   1.933  13.109   0.633
   98   HD13  ILE  15          2HD1      ILE  15   1.278  11.737   1.524
   99    H    CYS  16           H        CYS  16  -0.565   8.034   2.374
  100    HA   CYS  16           HA       CYS  16  -2.013   6.046   0.961
  101    HB2  CYS  16           2HB      CYS  16  -1.150   6.462   3.605
  102    HB3  CYS  16           1HB      CYS  16  -2.903   6.304   3.699
  103    HN1  NH2  17           2H       CYS  16  -4.713   8.552   0.488
  104    HN2  NH2  17           1H       CYS  16  -3.115   8.376  -0.063
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1  -8.584   0.548  -2.687
    2    H2   GLY   1           2HT      GLY   1  -8.711   2.191  -3.092
    3    H3   GLY   1           3HT      GLY   1  -8.602   1.725  -1.465
    4    HA2  GLY   1           2HA      GLY   1  -6.470   1.310  -3.489
    5    HA3  GLY   1           1HA      GLY   1  -6.498   2.625  -2.316
    6    H    ABA   2           H        ABA   2  -4.554   0.431  -2.603
    7    HA   ABA   2           HA       ABA   2  -4.908  -1.514  -0.572
    8    HB3  ABA   2           1HB      ABA   2  -2.121  -0.807  -0.986
    9    HB2  ABA   2           2HB      ABA   2  -2.971  -0.904  -2.521
   10    HG1  ABA   2           HG       ABA   2  -3.676  -3.225  -0.882
   11    H    CYS   3           H        CYS   3  -5.844   0.478   0.794
   12    HA   CYS   3           HA       CYS   3  -3.766   1.813   2.365
   13    HB2  CYS   3           2HB      CYS   3  -6.564   2.256   1.794
   14    HB3  CYS   3           1HB      CYS   3  -6.276   2.289   3.531
   15    H    SER   4           H        SER   4  -6.134  -0.752   2.714
   16    HA   SER   4           HA       SER   4  -5.368  -1.164   5.531
   17    HB2  SER   4           2HB      SER   4  -7.344  -3.005   4.912
   18    HB3  SER   4           1HB      SER   4  -7.590  -1.446   5.693
   19    HG   SER   4           HG       SER   4  -8.547  -0.797   3.938
   20    H    ASP   5           H        ASP   5  -4.431  -2.293   2.523
   21    HA   ASP   5           HA       ASP   5  -3.885  -5.007   3.536
   22    HB2  ASP   5           2HB      ASP   5  -5.072  -4.485   1.268
   23    HB3  ASP   5           1HB      ASP   5  -3.437  -4.198   0.692
   24    HA   PRO   6           HA       PRO   6   0.319  -3.336   3.897
   25    HB2  PRO   6           2HB      PRO   6   1.193  -5.233   5.651
   26    HB3  PRO   6           1HB      PRO   6   0.239  -3.825   6.158
   27    HG2  PRO   6           2HG      PRO   6  -0.630  -6.637   5.706
   28    HG3  PRO   6           1HG      PRO   6  -1.122  -5.490   6.964
   29    HD2  PRO   6           2HD      PRO   6  -2.641  -6.036   4.739
   30    HD3  PRO   6           1HD      PRO   6  -2.712  -4.494   5.619
   31    H    ARG   7           H        ARG   7  -0.978  -6.201   2.647
   32    HA   ARG   7           HA       ARG   7   1.578  -7.417   1.914
   33    HB2  ARG   7           2HB      ARG   7  -0.434  -8.789   2.525
   34    HB3  ARG   7           1HB      ARG   7  -1.219  -8.206   1.059
   35    HG2  ARG   7           2HG      ARG   7   0.300  -9.321  -0.354
   36    HG3  ARG   7           1HG      ARG   7   1.503  -9.497   0.925
   37    HD2  ARG   7           2HD      ARG   7  -1.202 -10.815   1.156
   38    HD3  ARG   7           1HD      ARG   7   0.112 -11.585   0.260
   39    HE   ARG   7           HE       ARG   7   0.788 -10.691   2.955
   40   HH11  ARG   7          1HH2      ARG   7  -0.268 -13.279   0.928
   41   HH12  ARG   7          2HH2      ARG   7   0.252 -14.502   2.031
   42   HH21  ARG   7          1HH1      ARG   7   1.438 -12.304   4.354
   43   HH22  ARG   7          2HH1      ARG   7   1.170 -13.962   3.942
   44    H    ABA   8           H        ABA   8  -1.120  -5.739   0.345
   45    HA   ABA   8           HA       ABA   8  -0.009  -5.897  -2.296
   46    HB3  ABA   8           1HB      ABA   8  -2.467  -5.132  -1.162
   47    HB2  ABA   8           2HB      ABA   8  -2.048  -5.135  -2.871
   48    HG1  ABA   8           HG       ABA   8  -1.077  -2.721  -2.395
   49    H    ASN   9           H        ASN   9   0.220  -3.695   0.379
   50    HA   ASN   9           HA       ASN   9   1.103  -1.341  -0.703
   51    HB2  ASN   9           2HB      ASN   9   1.060  -1.073   1.536
   52    HB3  ASN   9           1HB      ASN   9   1.449  -2.760   1.841
   53   HD21  ASN   9          1HD2      ASN   9   3.897  -3.290   1.289
   54   HD22  ASN   9          2HD2      ASN   9   5.017  -2.117   1.781
   55    H    TYR  10           H        TYR  10   2.974  -0.507  -1.532
   56    HA   TYR  10           HA       TYR  10   4.998  -2.409  -2.403
   57    HB2  TYR  10           2HB      TYR  10   5.378   0.376  -3.203
   58    HB3  TYR  10           1HB      TYR  10   5.232  -1.067  -4.193
   59    HD1  TYR  10           2HD      TYR  10   2.680  -2.139  -3.921
   60    HD2  TYR  10           1HD      TYR  10   3.801   1.998  -3.693
   61    HE1  TYR  10           2HE      TYR  10   0.375  -1.476  -4.544
   62    HE2  TYR  10           1HE      TYR  10   1.490   2.658  -4.321
   63    HH   TYR  10           HH       TYR  10  -0.690   0.589  -5.676
   64    H    ASP  11           H        ASP  11   7.128  -0.618  -2.670
   65    HA   ASP  11           HA       ASP  11   8.264  -0.738  -0.054
   66    HB2  ASP  11           2HB      ASP  11   9.220  -0.540  -2.668
   67    HB3  ASP  11           1HB      ASP  11   9.695   0.977  -1.909
   68    H    HIS  12           H        HIS  12   6.515   1.636  -1.798
   69    HA   HIS  12           HA       HIS  12   6.446   3.405   0.483
   70    HB2  HIS  12           2HB      HIS  12   7.409   5.371  -0.712
   71    HB3  HIS  12           1HB      HIS  12   8.592   4.104  -0.406
   72    HD2  HIS  12           2HD      HIS  12   6.558   2.923  -3.329
   73    HE1  HIS  12           1HE      HIS  12   9.726   5.109  -5.051
   74    HE2  HIS  12           2HE      HIS  12   7.842   3.480  -5.537
   75    HA   PRO  13           HA       PRO  13   2.773   3.440  -2.420
   76    HB2  PRO  13           2HB      PRO  13   1.302   3.411   0.141
   77    HB3  PRO  13           1HB      PRO  13   1.107   2.370  -1.281
   78    HG2  PRO  13           2HG      PRO  13   2.191   1.500   1.025
   79    HG3  PRO  13           1HG      PRO  13   2.660   0.867  -0.560
   80    HD2  PRO  13           2HD      PRO  13   4.136   2.751   1.225
   81    HD3  PRO  13           1HD      PRO  13   4.769   1.524   0.106
   82    H    GLU  14           H        GLU  14   4.090   5.415  -0.002
   83    HA   GLU  14           HA       GLU  14   3.819   7.628   0.592
   84    HB2  GLU  14           2HB      GLU  14   2.709   7.604  -2.219
   85    HB3  GLU  14           1HB      GLU  14   2.857   9.087  -1.277
   86    HG2  GLU  14           2HG      GLU  14   5.241   7.273  -1.516
   87    HG3  GLU  14           1HG      GLU  14   4.824   8.308  -2.875
   88    H    ILE  15           H        ILE  15   2.222   6.609   2.153
   89    HA   ILE  15           HA       ILE  15   0.120   6.419   3.121
   90    HB   ILE  15           HB       ILE  15   0.019   9.290   2.184
   91   HG12  ILE  15          2HG1      ILE  15   2.173   8.809   3.262
   92   HG13  ILE  15          1HG1      ILE  15   1.169   9.794   4.324
   93   HG21  ILE  15          1HG2      ILE  15  -1.227   7.804   4.516
   94   HG22  ILE  15          2HG2      ILE  15  -2.081   8.575   3.180
   95   HG23  ILE  15          3HG2      ILE  15  -1.222   9.561   4.364
   96   HD11  ILE  15          3HD1      ILE  15   2.041   6.967   4.633
   97   HD12  ILE  15          1HD1      ILE  15   0.394   7.339   5.144
   98   HD13  ILE  15          2HD1      ILE  15   1.753   8.199   5.862
   99    H    CYS  16           H        CYS  16  -0.378   5.035   1.108
  100    HA   CYS  16           HA       CYS  16  -2.004   4.268  -0.321
  101    HB2  CYS  16           2HB      CYS  16  -3.352   6.050   1.403
  102    HB3  CYS  16           1HB      CYS  16  -3.947   6.357  -0.221
  103    HN1  NH2  17           2H       CYS  16  -1.192   5.897  -3.297
  104    HN2  NH2  17           1H       CYS  16  -1.067   4.507  -2.335
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1  -7.709  -0.958  -3.641
    2    H2   GLY   1           2HT      GLY   1  -8.545   0.519  -3.641
    3    H3   GLY   1           3HT      GLY   1  -8.323  -0.332  -2.190
    4    HA2  GLY   1           2HA      GLY   1  -5.974   0.540  -3.741
    5    HA3  GLY   1           1HA      GLY   1  -6.810   1.686  -2.699
    6    H    ABA   2           H        ABA   2  -4.113   0.223  -2.552
    7    HA   ABA   2           HA       ABA   2  -4.274  -1.529  -0.298
    8    HB3  ABA   2           1HB      ABA   2  -1.646  -0.618  -0.412
    9    HB2  ABA   2           2HB      ABA   2  -2.200  -0.513  -2.082
   10    HG1  ABA   2           HG       ABA   2  -2.648  -3.063  -0.487
   11    H    CYS   3           H        CYS   3  -5.714   0.382   0.696
   12    HA   CYS   3           HA       CYS   3  -4.040   2.265   2.209
   13    HB2  CYS   3           2HB      CYS   3  -6.830   2.157   1.409
   14    HB3  CYS   3           1HB      CYS   3  -6.667   2.504   3.126
   15    H    SER   4           H        SER   4  -6.173  -0.499   2.737
   16    HA   SER   4           HA       SER   4  -5.268  -0.638   5.557
   17    HB2  SER   4           2HB      SER   4  -7.725  -0.437   5.214
   18    HB3  SER   4           1HB      SER   4  -7.693  -1.926   4.273
   19    HG   SER   4           HG       SER   4  -7.515  -3.047   6.055
   20    H    ASP   5           H        ASP   5  -4.698  -1.930   2.560
   21    HA   ASP   5           HA       ASP   5  -4.089  -4.633   3.564
   22    HB2  ASP   5           2HB      ASP   5  -5.488  -4.313   1.474
   23    HB3  ASP   5           1HB      ASP   5  -4.044  -3.689   0.695
   24    HA   PRO   6           HA       PRO   6   0.151  -3.074   3.391
   25    HB2  PRO   6           2HB      PRO   6   1.183  -4.767   5.230
   26    HB3  PRO   6           1HB      PRO   6   0.184  -3.375   5.694
   27    HG2  PRO   6           2HG      PRO   6  -0.528  -6.251   5.561
   28    HG3  PRO   6           1HG      PRO   6  -1.065  -5.000   6.691
   29    HD2  PRO   6           2HD      PRO   6  -2.528  -5.922   4.479
   30    HD3  PRO   6           1HD      PRO   6  -2.840  -4.417   5.371
   31    H    ARG   7           H        ARG   7  -1.242  -5.986   2.403
   32    HA   ARG   7           HA       ARG   7   1.150  -7.465   1.775
   33    HB2  ARG   7           2HB      ARG   7  -1.508  -7.879   0.437
   34    HB3  ARG   7           1HB      ARG   7  -0.268  -9.067   0.804
   35    HG2  ARG   7           2HG      ARG   7  -2.034  -7.621   2.794
   36    HG3  ARG   7           1HG      ARG   7  -2.123  -9.324   2.354
   37    HD2  ARG   7           2HD      ARG   7   0.108  -7.911   3.821
   38    HD3  ARG   7           1HD      ARG   7  -0.922  -9.207   4.407
   39    HE   ARG   7           HE       ARG   7   1.164  -9.524   2.330
   40   HH11  ARG   7          1HH2      ARG   7  -0.933 -10.835   4.735
   41   HH12  ARG   7          2HH2      ARG   7  -0.184 -12.392   4.705
   42   HH21  ARG   7          1HH1      ARG   7   2.087 -11.532   2.285
   43   HH22  ARG   7          2HH1      ARG   7   1.503 -12.784   3.323
   44    H    ABA   8           H        ABA   8  -1.015  -5.291   0.055
   45    HA   ABA   8           HA       ABA   8   0.436  -5.578  -2.447
   46    HB3  ABA   8           1HB      ABA   8  -2.145  -4.845  -1.790
   47    HB2  ABA   8           2HB      ABA   8  -1.402  -4.637  -3.368
   48    HG1  ABA   8           HG       ABA   8  -0.696  -2.296  -2.649
   49    H    ASN   9           H        ASN   9   0.219  -3.311   0.225
   50    HA   ASN   9           HA       ASN   9   1.478  -1.052  -0.673
   51    HB2  ASN   9           2HB      ASN   9   0.716  -1.107   1.575
   52    HB3  ASN   9           1HB      ASN   9   1.682  -2.527   1.952
   53   HD21  ASN   9          1HD2      ASN   9   1.740   0.960   1.754
   54   HD22  ASN   9          2HD2      ASN   9   3.344   1.148   2.272
   55    H    TYR  10           H        TYR  10   3.333  -0.758  -1.786
   56    HA   TYR  10           HA       TYR  10   5.391  -2.792  -1.770
   57    HB2  TYR  10           2HB      TYR  10   6.088  -0.365  -3.200
   58    HB3  TYR  10           1HB      TYR  10   5.905  -2.006  -3.800
   59    HD1  TYR  10           2HD      TYR  10   3.384  -2.859  -3.923
   60    HD2  TYR  10           1HD      TYR  10   4.612   1.250  -3.965
   61    HE1  TYR  10           2HE      TYR  10   1.244  -2.235  -5.010
   62    HE2  TYR  10           1HE      TYR  10   2.468   1.876  -5.055
   63    HH   TYR  10           HH       TYR  10   0.073  -0.607  -5.945
   64    H    ASP  11           H        ASP  11   7.676  -1.437  -2.137
   65    HA   ASP  11           HA       ASP  11   8.486  -0.800   0.519
   66    HB2  ASP  11           2HB      ASP  11   9.759  -0.907  -2.178
   67    HB3  ASP  11           1HB      ASP  11  10.601  -0.030  -0.907
   68    H    HIS  12           H        HIS  12   6.948   1.038  -1.807
   69    HA   HIS  12           HA       HIS  12   7.204   3.477  -0.318
   70    HB2  HIS  12           2HB      HIS  12   8.307   4.768  -2.182
   71    HB3  HIS  12           1HB      HIS  12   9.368   3.620  -1.369
   72    HD2  HIS  12           2HD      HIS  12   7.271   1.481  -3.546
   73    HE1  HIS  12           1HE      HIS  12  10.437   2.657  -6.070
   74    HE2  HIS  12           2HE      HIS  12   8.516   1.012  -5.790
   75    HA   PRO  13           HA       PRO  13   3.676   3.246  -3.296
   76    HB2  PRO  13           2HB      PRO  13   1.640   2.777  -1.521
   77    HB3  PRO  13           1HB      PRO  13   2.585   1.498  -2.297
   78    HG2  PRO  13           2HG      PRO  13   2.633   2.417   0.475
   79    HG3  PRO  13           1HG      PRO  13   3.194   0.893  -0.224
   80    HD2  PRO  13           2HD      PRO  13   4.788   3.169   0.539
   81    HD3  PRO  13           1HD      PRO  13   5.339   1.634  -0.160
   82    H    GLU  14           H        GLU  14   1.971   4.227  -0.420
   83    HA   GLU  14           HA       GLU  14   2.513   7.030  -0.558
   84    HB2  GLU  14           2HB      GLU  14   0.293   7.732  -1.421
   85    HB3  GLU  14           1HB      GLU  14   1.253   6.886  -2.635
   86    HG2  GLU  14           2HG      GLU  14  -0.101   4.815  -1.393
   87    HG3  GLU  14           1HG      GLU  14  -1.298   6.103  -1.398
   88    H    ILE  15           H        ILE  15   1.275   8.257   0.972
   89    HA   ILE  15           HA       ILE  15   0.564   6.748   3.317
   90    HB   ILE  15           HB       ILE  15   0.069   9.696   2.867
   91   HG12  ILE  15          2HG1      ILE  15   2.395   9.193   2.223
   92   HG13  ILE  15          1HG1      ILE  15   2.356  10.057   3.758
   93   HG21  ILE  15          1HG2      ILE  15  -0.887   8.780   4.912
   94   HG22  ILE  15          2HG2      ILE  15   0.527   9.747   5.330
   95   HG23  ILE  15          3HG2      ILE  15   0.637   7.988   5.308
   96   HD11  ILE  15          3HD1      ILE  15   2.294   7.614   4.775
   97   HD12  ILE  15          1HD1      ILE  15   3.824   8.335   4.280
   98   HD13  ILE  15          2HD1      ILE  15   3.012   7.181   3.223
   99    H    CYS  16           H        CYS  16  -1.089   5.649   1.710
  100    HA   CYS  16           HA       CYS  16  -3.309   5.073   1.478
  101    HB2  CYS  16           2HB      CYS  16  -3.284   6.664   3.818
  102    HB3  CYS  16           1HB      CYS  16  -4.644   7.212   2.843
  103    HN1  NH2  17           2H       CYS  16  -3.173   8.070  -0.963
  104    HN2  NH2  17           1H       CYS  16  -1.886   7.383  -0.100
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1  -7.454   2.807  -0.296
    2    H2   GLY   1           2HT      GLY   1  -8.045   2.161  -1.748
    3    H3   GLY   1           3HT      GLY   1  -7.526   3.774  -1.683
    4    HA2  GLY   1           2HA      GLY   1  -5.953   2.068  -2.734
    5    HA3  GLY   1           1HA      GLY   1  -5.295   3.219  -1.575
    6    H    ABA   2           H        ABA   2  -3.702   1.219  -1.656
    7    HA   ABA   2           HA       ABA   2  -4.411  -1.135  -0.231
    8    HB3  ABA   2           1HB      ABA   2  -1.590  -0.448  -0.002
    9    HB2  ABA   2           2HB      ABA   2  -2.177  -0.240  -1.651
   10    HG1  ABA   2           HG       ABA   2  -2.914  -2.799  -0.241
   11    H    CYS   3           H        CYS   3  -5.554   0.596   1.344
   12    HA   CYS   3           HA       CYS   3  -3.797   1.378   3.555
   13    HB2  CYS   3           2HB      CYS   3  -6.601   1.933   2.741
   14    HB3  CYS   3           1HB      CYS   3  -6.270   1.927   4.473
   15    H    SER   4           H        SER   4  -6.446  -0.859   2.898
   16    HA   SER   4           HA       SER   4  -6.098  -2.103   5.543
   17    HB2  SER   4           2HB      SER   4  -8.213  -3.394   4.492
   18    HB3  SER   4           1HB      SER   4  -8.352  -1.863   5.352
   19    HG   SER   4           HG       SER   4  -9.387  -1.677   3.366
   20    H    ASP   5           H        ASP   5  -4.493  -2.464   2.827
   21    HA   ASP   5           HA       ASP   5  -4.401  -5.408   3.070
   22    HB2  ASP   5           2HB      ASP   5  -5.614  -4.560   0.982
   23    HB3  ASP   5           1HB      ASP   5  -4.041  -4.011   0.428
   24    HA   PRO   6           HA       PRO   6  -0.202  -3.633   3.823
   25    HB2  PRO   6           2HB      PRO   6  -0.029  -6.085   5.479
   26    HB3  PRO   6           1HB      PRO   6   0.320  -4.405   5.919
   27    HG2  PRO   6           2HG      PRO   6  -1.845  -5.674   6.828
   28    HG3  PRO   6           1HG      PRO   6  -1.873  -3.946   6.434
   29    HD2  PRO   6           2HD      PRO   6  -2.945  -6.259   4.846
   30    HD3  PRO   6           1HD      PRO   6  -3.634  -4.636   5.077
   31    H    ARG   7           H        ARG   7  -1.502  -6.313   2.295
   32    HA   ARG   7           HA       ARG   7   1.070  -7.590   1.705
   33    HB2  ARG   7           2HB      ARG   7  -1.625  -8.375   0.596
   34    HB3  ARG   7           1HB      ARG   7  -0.183  -9.368   0.774
   35    HG2  ARG   7           2HG      ARG   7  -0.489  -8.704   3.348
   36    HG3  ARG   7           1HG      ARG   7  -2.172  -8.540   2.844
   37    HD2  ARG   7           2HD      ARG   7  -1.775 -10.826   3.621
   38    HD3  ARG   7           1HD      ARG   7  -2.081 -10.835   1.883
   39    HE   ARG   7           HE       ARG   7   0.710 -10.610   2.332
   40   HH11  ARG   7          1HH2      ARG   7  -1.878 -12.845   2.673
   41   HH12  ARG   7          2HH2      ARG   7  -0.878 -14.230   2.410
   42   HH21  ARG   7          1HH1      ARG   7   1.989 -12.386   2.021
   43   HH22  ARG   7          2HH1      ARG   7   1.300 -13.971   2.059
   44    H    ABA   8           H        ABA   8  -0.619  -4.992   0.525
   45    HA   ABA   8           HA       ABA   8   0.245  -5.461  -2.263
   46    HB3  ABA   8           1HB      ABA   8  -2.199  -4.616  -1.310
   47    HB2  ABA   8           2HB      ABA   8  -1.612  -4.381  -2.952
   48    HG1  ABA   8           HG       ABA   8  -0.653  -2.109  -2.142
   49    H    ASN   9           H        ASN   9   0.480  -3.197   0.437
   50    HA   ASN   9           HA       ASN   9   1.682  -1.010  -0.671
   51    HB2  ASN   9           2HB      ASN   9   2.321  -0.425   1.452
   52    HB3  ASN   9           1HB      ASN   9   1.201  -1.720   1.850
   53   HD21  ASN   9          1HD2      ASN   9   4.697  -1.078   1.361
   54   HD22  ASN   9          2HD2      ASN   9   5.212  -2.346   2.357
   55    H    TYR  10           H        TYR  10   3.564  -0.477  -1.618
   56    HA   TYR  10           HA       TYR  10   5.462  -2.605  -2.181
   57    HB2  TYR  10           2HB      TYR  10   6.062   0.044  -3.276
   58    HB3  TYR  10           1HB      TYR  10   5.876  -1.498  -4.096
   59    HD1  TYR  10           2HD      TYR  10   3.276  -2.413  -3.857
   60    HD2  TYR  10           1HD      TYR  10   4.575   1.678  -3.972
   61    HE1  TYR  10           2HE      TYR  10   1.038  -1.727  -4.665
   62    HE2  TYR  10           1HE      TYR  10   2.328   2.364  -4.781
   63    HH   TYR  10           HH       TYR  10   0.191   1.676  -5.052
   64    H    ASP  11           H        ASP  11   7.754  -1.103  -2.584
   65    HA   ASP  11           HA       ASP  11   8.820  -0.997   0.064
   66    HB2  ASP  11           2HB      ASP  11   9.816  -0.824  -2.687
   67    HB3  ASP  11           1HB      ASP  11  10.704   0.189  -1.553
   68    H    HIS  12           H        HIS  12   7.194   1.266  -1.839
   69    HA   HIS  12           HA       HIS  12   7.439   3.320   0.141
   70    HB2  HIS  12           2HB      HIS  12   8.465   5.024  -1.399
   71    HB3  HIS  12           1HB      HIS  12   9.569   3.754  -0.878
   72    HD2  HIS  12           2HD      HIS  12   7.359   2.276  -3.542
   73    HE1  HIS  12           1HE      HIS  12  10.731   3.757  -5.600
   74    HE2  HIS  12           2HE      HIS  12   8.669   2.276  -5.801
   75    HA   PRO  13           HA       PRO  13   3.775   3.663  -2.636
   76    HB2  PRO  13           2HB      PRO  13   1.852   2.874  -0.893
   77    HB3  PRO  13           1HB      PRO  13   2.797   1.718  -1.853
   78    HG2  PRO  13           2HG      PRO  13   2.984   2.378   1.018
   79    HG3  PRO  13           1HG      PRO  13   3.381   0.875   0.174
   80    HD2  PRO  13           2HD      PRO  13   5.215   2.869   1.046
   81    HD3  PRO  13           1HD      PRO  13   5.579   1.468   0.015
   82    H    GLU  14           H        GLU  14   2.077   5.235  -2.550
   83    HA   GLU  14           HA       GLU  14   2.673   7.550  -0.994
   84    HB2  GLU  14           2HB      GLU  14   0.098   7.128  -2.489
   85    HB3  GLU  14           1HB      GLU  14   1.023   8.615  -2.279
   86    HG2  GLU  14           2HG      GLU  14   1.663   8.118  -4.440
   87    HG3  GLU  14           1HG      GLU  14   2.879   7.172  -3.587
   88    H    ILE  15           H        ILE  15   0.903   8.674   0.214
   89    HA   ILE  15           HA       ILE  15   0.015   7.061   2.391
   90    HB   ILE  15           HB       ILE  15  -0.874   9.867   1.675
   91   HG12  ILE  15          2HG1      ILE  15   0.938  10.265   3.592
   92   HG13  ILE  15          1HG1      ILE  15   1.604   8.763   2.955
   93   HG21  ILE  15          1HG2      ILE  15  -2.296   9.273   3.399
   94   HG22  ILE  15          2HG2      ILE  15  -0.902   9.781   4.351
   95   HG23  ILE  15          3HG2      ILE  15  -1.179   8.068   4.046
   96   HD11  ILE  15          3HD1      ILE  15   0.831  10.706   0.877
   97   HD12  ILE  15          1HD1      ILE  15   2.305   9.749   1.037
   98   HD13  ILE  15          2HD1      ILE  15   2.131  11.257   1.933
   99    H    CYS  16           H        CYS  16  -0.989   5.656   0.480
  100    HA   CYS  16           HA       CYS  16  -2.914   4.632  -0.246
  101    HB2  CYS  16           2HB      CYS  16  -3.696   5.913   2.136
  102    HB3  CYS  16           1HB      CYS  16  -4.950   6.262   0.947
  103    HN1  NH2  17           2H       CYS  16  -4.135   8.233  -1.681
  104    HN2  NH2  17           1H       CYS  16  -3.654   8.130  -0.058
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1  -7.582   1.647  -3.333
    2    H2   GLY   1           2HT      GLY   1  -7.247   3.199  -2.729
    3    H3   GLY   1           3HT      GLY   1  -7.545   1.915  -1.661
    4    HA2  GLY   1           2HA      GLY   1  -5.394   1.313  -3.445
    5    HA3  GLY   1           1HA      GLY   1  -5.081   2.765  -2.491
    6    H    ABA   2           H        ABA   2  -3.500   0.626  -1.995
    7    HA   ABA   2           HA       ABA   2  -4.391  -1.250  -0.092
    8    HB3  ABA   2           1HB      ABA   2  -1.714  -0.730   0.528
    9    HB2  ABA   2           2HB      ABA   2  -1.852  -0.357  -1.190
   10    HG1  ABA   2           HG       ABA   2  -2.919  -2.995  -0.105
   11    H    CYS   3           H        CYS   3  -5.800   0.187   1.191
   12    HA   CYS   3           HA       CYS   3  -4.436   1.963   3.089
   13    HB2  CYS   3           2HB      CYS   3  -7.146   1.674   2.045
   14    HB3  CYS   3           1HB      CYS   3  -7.113   1.869   3.796
   15    H    SER   4           H        SER   4  -6.124  -1.110   3.000
   16    HA   SER   4           HA       SER   4  -5.615  -1.453   5.900
   17    HB2  SER   4           2HB      SER   4  -7.985  -1.530   5.318
   18    HB3  SER   4           1HB      SER   4  -7.667  -2.779   4.117
   19    HG   SER   4           HG       SER   4  -7.779  -2.927   6.890
   20    H    ASP   5           H        ASP   5  -5.063  -2.825   2.719
   21    HA   ASP   5           HA       ASP   5  -3.984  -5.283   3.863
   22    HB2  ASP   5           2HB      ASP   5  -4.691  -4.364   1.094
   23    HB3  ASP   5           1HB      ASP   5  -3.735  -5.813   1.359
   24    HA   PRO   6           HA       PRO   6   0.116  -3.466   3.470
   25    HB2  PRO   6           2HB      PRO   6   1.424  -5.342   4.916
   26    HB3  PRO   6           1HB      PRO   6   0.390  -4.116   5.676
   27    HG2  PRO   6           2HG      PRO   6  -0.174  -6.982   5.115
   28    HG3  PRO   6           1HG      PRO   6  -0.632  -5.992   6.511
   29    HD2  PRO   6           2HD      PRO   6  -2.330  -6.605   4.391
   30    HD3  PRO   6           1HD      PRO   6  -2.547  -5.232   5.499
   31    H    ARG   7           H        ARG   7  -0.983  -6.595   2.479
   32    HA   ARG   7           HA       ARG   7   1.366  -7.648   1.323
   33    HB2  ARG   7           2HB      ARG   7  -0.138  -9.070   0.019
   34    HB3  ARG   7           1HB      ARG   7  -0.597  -9.021   1.724
   35    HG2  ARG   7           2HG      ARG   7  -2.241  -7.174   1.096
   36    HG3  ARG   7           1HG      ARG   7  -1.913  -7.570  -0.591
   37    HD2  ARG   7           2HD      ARG   7  -3.523  -9.020   1.394
   38    HD3  ARG   7           1HD      ARG   7  -3.589  -9.077  -0.368
   39    HE   ARG   7           HE       ARG   7  -1.241 -10.401   0.489
   40   HH11  ARG   7          1HH2      ARG   7  -4.655 -10.717   0.566
   41   HH12  ARG   7          2HH2      ARG   7  -4.623 -12.444   0.642
   42   HH21  ARG   7          1HH1      ARG   7  -1.196 -12.612   0.578
   43   HH22  ARG   7          2HH1      ARG   7  -2.668 -13.512   0.637
   44    H    ABA   8           H        ABA   8  -1.056  -5.411   0.091
   45    HA   ABA   8           HA       ABA   8   0.037  -5.394  -2.587
   46    HB3  ABA   8           1HB      ABA   8  -2.409  -4.676  -1.491
   47    HB2  ABA   8           2HB      ABA   8  -1.878  -4.306  -3.129
   48    HG1  ABA   8           HG       ABA   8  -0.969  -2.096  -2.272
   49    H    ASN   9           H        ASN   9   0.259  -3.456   0.331
   50    HA   ASN   9           HA       ASN   9   1.390  -1.113  -0.510
   51    HB2  ASN   9           2HB      ASN   9   1.265  -0.979   1.739
   52    HB3  ASN   9           1HB      ASN   9   1.433  -2.716   1.935
   53   HD21  ASN   9          1HD2      ASN   9   3.082   0.293   2.242
   54   HD22  ASN   9          2HD2      ASN   9   4.615  -0.347   2.587
   55    H    TYR  10           H        TYR  10   3.163  -0.547  -1.602
   56    HA   TYR  10           HA       TYR  10   5.073  -2.541  -2.400
   57    HB2  TYR  10           2HB      TYR  10   5.560   0.324  -3.006
   58    HB3  TYR  10           1HB      TYR  10   5.632  -1.080  -4.061
   59    HD1  TYR  10           2HD      TYR  10   3.049  -2.327  -3.825
   60    HD2  TYR  10           1HD      TYR  10   4.033   1.847  -3.914
   61    HE1  TYR  10           2HE      TYR  10   0.774  -1.812  -4.675
   62    HE2  TYR  10           1HE      TYR  10   1.750   2.363  -4.764
   63    HH   TYR  10           HH       TYR  10  -0.069   0.847  -6.160
   64    H    ASP  11           H        ASP  11   7.396  -1.078  -2.562
   65    HA   ASP  11           HA       ASP  11   8.356  -1.282   0.156
   66    HB2  ASP  11           2HB      ASP  11   9.561  -0.939  -2.547
   67    HB3  ASP  11           1HB      ASP  11  10.514  -0.447  -1.153
   68    H    HIS  12           H        HIS  12   6.930   1.151  -1.601
   69    HA   HIS  12           HA       HIS  12   7.455   3.141   0.393
   70    HB2  HIS  12           2HB      HIS  12   8.581   4.772  -1.135
   71    HB3  HIS  12           1HB      HIS  12   9.581   3.374  -0.748
   72    HD2  HIS  12           2HD      HIS  12   7.267   1.955  -3.222
   73    HE1  HIS  12           1HE      HIS  12  10.229   3.758  -5.617
   74    HE2  HIS  12           2HE      HIS  12   8.257   2.150  -5.627
   75    HA   PRO  13           HA       PRO  13   3.752   3.611  -2.458
   76    HB2  PRO  13           2HB      PRO  13   1.786   2.934  -0.687
   77    HB3  PRO  13           1HB      PRO  13   2.625   1.750  -1.705
   78    HG2  PRO  13           2HG      PRO  13   3.030   2.394   1.172
   79    HG3  PRO  13           1HG      PRO  13   3.093   0.829   0.344
   80    HD2  PRO  13           2HD      PRO  13   5.331   2.281   1.072
   81    HD3  PRO  13           1HD      PRO  13   5.303   1.087  -0.245
   82    H    GLU  14           H        GLU  14   2.008   5.207  -2.271
   83    HA   GLU  14           HA       GLU  14   2.797   7.483  -0.691
   84    HB2  GLU  14           2HB      GLU  14   1.303   7.015  -3.090
   85    HB3  GLU  14           1HB      GLU  14   0.277   7.905  -1.966
   86    HG2  GLU  14           2HG      GLU  14   1.599   9.773  -2.028
   87    HG3  GLU  14           1HG      GLU  14   3.091   8.841  -2.150
   88    H    ILE  15           H        ILE  15   0.972   8.728   0.388
   89    HA   ILE  15           HA       ILE  15  -0.032   7.168   2.556
   90    HB   ILE  15           HB       ILE  15  -0.915   9.969   1.847
   91   HG12  ILE  15          2HG1      ILE  15   1.538   9.905   1.740
   92   HG13  ILE  15          1HG1      ILE  15   1.026  10.731   3.209
   93   HG21  ILE  15          1HG2      ILE  15  -0.498   8.581   4.514
   94   HG22  ILE  15          2HG2      ILE  15  -2.061   8.742   3.713
   95   HG23  ILE  15          3HG2      ILE  15  -1.196  10.179   4.254
   96   HD11  ILE  15          3HD1      ILE  15   2.123   7.934   2.925
   97   HD12  ILE  15          1HD1      ILE  15   1.225   8.430   4.359
   98   HD13  ILE  15          2HD1      ILE  15   2.728   9.248   3.934
   99    H    CYS  16           H        CYS  16  -1.077   5.780   0.644
  100    HA   CYS  16           HA       CYS  16  -3.024   4.933  -0.277
  101    HB2  CYS  16           2HB      CYS  16  -3.568   5.722   2.372
  102    HB3  CYS  16           1HB      CYS  16  -4.949   6.244   1.410
  103    HN1  NH2  17           2H       CYS  16  -3.530   8.427  -1.841
  104    HN2  NH2  17           1H       CYS  16  -2.150   7.807  -1.079
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1  -8.046   1.376  -1.781
    2    H2   GLY   1           2HT      GLY   1  -7.915   0.553  -3.260
    3    H3   GLY   1           3HT      GLY   1  -8.026   2.244  -3.237
    4    HA2  GLY   1           2HA      GLY   1  -5.729   1.097  -3.568
    5    HA3  GLY   1           1HA      GLY   1  -5.868   2.538  -2.561
    6    H    ABA   2           H        ABA   2  -3.855   0.495  -2.296
    7    HA   ABA   2           HA       ABA   2  -4.382  -1.391  -0.277
    8    HB3  ABA   2           1HB      ABA   2  -1.716  -0.636   0.074
    9    HB2  ABA   2           2HB      ABA   2  -2.046  -0.277  -1.617
   10    HG1  ABA   2           HG       ABA   2  -2.755  -3.000  -0.455
   11    H    CYS   3           H        CYS   3  -5.842   0.236   0.933
   12    HA   CYS   3           HA       CYS   3  -4.377   1.978   2.790
   13    HB2  CYS   3           2HB      CYS   3  -7.022   1.929   1.689
   14    HB3  CYS   3           1HB      CYS   3  -7.139   1.862   3.447
   15    H    SER   4           H        SER   4  -6.415  -0.921   2.840
   16    HA   SER   4           HA       SER   4  -5.698  -1.334   5.685
   17    HB2  SER   4           2HB      SER   4  -7.652  -3.023   5.510
   18    HB3  SER   4           1HB      SER   4  -8.036  -1.303   5.562
   19    HG   SER   4           HG       SER   4  -9.136  -2.017   3.826
   20    H    ASP   5           H        ASP   5  -4.630  -2.187   2.747
   21    HA   ASP   5           HA       ASP   5  -4.059  -4.976   3.529
   22    HB2  ASP   5           2HB      ASP   5  -5.273  -4.890   1.443
   23    HB3  ASP   5           1HB      ASP   5  -4.146  -3.707   0.788
   24    HA   PRO   6           HA       PRO   6   0.091  -3.228   3.849
   25    HB2  PRO   6           2HB      PRO   6   1.091  -5.193   5.442
   26    HB3  PRO   6           1HB      PRO   6   0.072  -3.881   6.067
   27    HG2  PRO   6           2HG      PRO   6  -0.621  -6.710   5.495
   28    HG3  PRO   6           1HG      PRO   6  -1.214  -5.633   6.769
   29    HD2  PRO   6           2HD      PRO   6  -2.593  -6.243   4.420
   30    HD3  PRO   6           1HD      PRO   6  -2.918  -4.841   5.465
   31    H    ARG   7           H        ARG   7  -1.130  -6.013   2.401
   32    HA   ARG   7           HA       ARG   7   1.340  -7.273   1.630
   33    HB2  ARG   7           2HB      ARG   7  -1.171  -8.174   1.757
   34    HB3  ARG   7           1HB      ARG   7  -1.152  -7.707   0.059
   35    HG2  ARG   7           2HG      ARG   7   0.291  -9.381  -0.514
   36    HG3  ARG   7           1HG      ARG   7   1.254  -9.177   0.949
   37    HD2  ARG   7           2HD      ARG   7  -1.472 -10.496   0.862
   38    HD3  ARG   7           1HD      ARG   7   0.057 -11.371   0.869
   39    HE   ARG   7           HE       ARG   7  -1.029  -9.762   3.104
   40   HH11  ARG   7          1HH2      ARG   7   1.368 -11.890   1.836
   41   HH12  ARG   7          2HH2      ARG   7   1.963 -12.332   3.395
   42   HH21  ARG   7          1HH1      ARG   7  -0.242 -10.339   5.089
   43   HH22  ARG   7          2HH1      ARG   7   1.070 -11.459   5.217
   44    H    ABA   8           H        ABA   8  -1.125  -5.473  -0.264
   45    HA   ABA   8           HA       ABA   8   0.410  -5.312  -2.626
   46    HB3  ABA   8           1HB      ABA   8  -2.151  -4.616  -1.925
   47    HB2  ABA   8           2HB      ABA   8  -1.387  -4.197  -3.451
   48    HG1  ABA   8           HG       ABA   8  -0.658  -1.994  -2.382
   49    H    ASN   9           H        ASN   9   0.256  -3.223   0.201
   50    HA   ASN   9           HA       ASN   9   1.516  -0.929  -0.604
   51    HB2  ASN   9           2HB      ASN   9   0.659  -1.324   1.667
   52    HB3  ASN   9           1HB      ASN   9   1.973  -2.456   1.975
   53   HD21  ASN   9          1HD2      ASN   9   4.215  -1.515   1.936
   54   HD22  ASN   9          2HD2      ASN   9   4.416   0.115   2.358
   55    H    TYR  10           H        TYR  10   3.331  -0.684  -1.827
   56    HA   TYR  10           HA       TYR  10   5.433  -2.656  -1.806
   57    HB2  TYR  10           2HB      TYR  10   6.166  -0.175  -3.107
   58    HB3  TYR  10           1HB      TYR  10   5.981  -1.777  -3.794
   59    HD1  TYR  10           2HD      TYR  10   3.317  -2.519  -3.853
   60    HD2  TYR  10           1HD      TYR  10   4.882   1.471  -4.069
   61    HE1  TYR  10           2HE      TYR  10   1.257  -1.775  -5.025
   62    HE2  TYR  10           1HE      TYR  10   2.826   2.212  -5.250
   63    HH   TYR  10           HH       TYR  10   0.161   1.048  -5.226
   64    H    ASP  11           H        ASP  11   7.710  -1.153  -2.070
   65    HA   ASP  11           HA       ASP  11   8.521  -0.735   0.589
   66    HB2  ASP  11           2HB      ASP  11   9.676  -0.475  -2.075
   67    HB3  ASP  11           1HB      ASP  11  10.283   0.750  -0.965
   68    H    HIS  12           H        HIS  12   6.943   1.300  -1.656
   69    HA   HIS  12           HA       HIS  12   6.432   3.330   0.286
   70    HB2  HIS  12           2HB      HIS  12   7.639   5.182  -0.918
   71    HB3  HIS  12           1HB      HIS  12   8.694   4.023  -0.117
   72    HD2  HIS  12           2HD      HIS  12   7.424   2.489  -3.343
   73    HE1  HIS  12           1HE      HIS  12  11.119   4.273  -4.323
   74    HE2  HIS  12           2HE      HIS  12   9.301   2.696  -5.146
   75    HA   PRO  13           HA       PRO  13   3.558   3.015  -3.369
   76    HB2  PRO  13           2HB      PRO  13   1.259   3.022  -1.829
   77    HB3  PRO  13           1HB      PRO  13   2.105   1.561  -2.364
   78    HG2  PRO  13           2HG      PRO  13   2.159   2.920   0.273
   79    HG3  PRO  13           1HG      PRO  13   2.230   1.195  -0.117
   80    HD2  PRO  13           2HD      PRO  13   4.435   2.654   0.606
   81    HD3  PRO  13           1HD      PRO  13   4.519   1.225  -0.447
   82    H    GLU  14           H        GLU  14   1.768   4.588  -0.803
   83    HA   GLU  14           HA       GLU  14   2.536   7.274  -1.454
   84    HB2  GLU  14           2HB      GLU  14   0.485   6.008  -3.055
   85    HB3  GLU  14           1HB      GLU  14  -0.189   7.369  -2.158
   86    HG2  GLU  14           2HG      GLU  14   1.925   8.658  -2.969
   87    HG3  GLU  14           1HG      GLU  14   2.068   7.367  -4.159
   88    H    ILE  15           H        ILE  15   1.983   5.422   0.834
   89    HA   ILE  15           HA       ILE  15   0.864   5.362   2.863
   90    HB   ILE  15           HB       ILE  15   1.159   8.351   2.504
   91   HG12  ILE  15          2HG1      ILE  15   3.287   7.194   2.077
   92   HG13  ILE  15          1HG1      ILE  15   3.347   8.020   3.632
   93   HG21  ILE  15          1HG2      ILE  15   0.166   6.688   4.642
   94   HG22  ILE  15          2HG2      ILE  15   0.296   8.445   4.591
   95   HG23  ILE  15          3HG2      ILE  15   1.654   7.476   5.159
   96   HD11  ILE  15          3HD1      ILE  15   2.441   5.669   4.507
   97   HD12  ILE  15          1HD1      ILE  15   4.162   5.962   4.276
   98   HD13  ILE  15          2HD1      ILE  15   3.245   5.094   3.047
   99    H    CYS  16           H        CYS  16  -0.827   5.438   0.492
  100    HA   CYS  16           HA       CYS  16  -3.044   5.570  -0.075
  101    HB2  CYS  16           2HB      CYS  16  -2.955   5.051   2.708
  102    HB3  CYS  16           1HB      CYS  16  -4.241   6.228   2.435
  103    HN1  NH2  17           2H       CYS  16  -2.531   9.389   0.355
  104    HN2  NH2  17           1H       CYS  16  -1.337   8.184   0.439
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1  -6.268   4.313  -1.580
    2    H2   GLY   1           2HT      GLY   1  -5.264   3.993  -0.250
    3    H3   GLY   1           3HT      GLY   1  -6.674   3.077  -0.499
    4    HA2  GLY   1           2HA      GLY   1  -5.782   2.049  -2.443
    5    HA3  GLY   1           1HA      GLY   1  -4.393   3.133  -2.400
    6    H    ABA   2           H        ABA   2  -5.233   0.063  -1.797
    7    HA   ABA   2           HA       ABA   2  -4.566  -1.626  -0.391
    8    HB3  ABA   2           1HB      ABA   2  -1.834  -0.726  -0.143
    9    HB2  ABA   2           2HB      ABA   2  -2.431  -0.437  -1.769
   10    HG1  ABA   2           HG       ABA   2  -2.967  -3.159  -0.593
   11    H    CYS   3           H        CYS   3  -5.549   0.727   1.088
   12    HA   CYS   3           HA       CYS   3  -3.836   1.127   3.369
   13    HB2  CYS   3           2HB      CYS   3  -6.253   2.253   2.374
   14    HB3  CYS   3           1HB      CYS   3  -6.565   1.690   4.013
   15    H    SER   4           H        SER   4  -6.661  -0.873   2.676
   16    HA   SER   4           HA       SER   4  -6.606  -2.072   5.343
   17    HB2  SER   4           2HB      SER   4  -8.796  -1.695   4.512
   18    HB3  SER   4           1HB      SER   4  -8.403  -2.375   2.936
   19    HG   SER   4           HG       SER   4  -7.871  -4.333   4.454
   20    H    ASP   5           H        ASP   5  -4.700  -2.497   2.770
   21    HA   ASP   5           HA       ASP   5  -4.382  -5.387   3.294
   22    HB2  ASP   5           2HB      ASP   5  -5.539  -5.030   1.127
   23    HB3  ASP   5           1HB      ASP   5  -4.168  -4.074   0.576
   24    HA   PRO   6           HA       PRO   6  -0.289  -3.546   3.957
   25    HB2  PRO   6           2HB      PRO   6   0.645  -5.524   5.581
   26    HB3  PRO   6           1HB      PRO   6  -0.438  -4.240   6.155
   27    HG2  PRO   6           2HG      PRO   6  -1.055  -7.062   5.450
   28    HG3  PRO   6           1HG      PRO   6  -1.709  -6.047   6.747
   29    HD2  PRO   6           2HD      PRO   6  -3.021  -6.558   4.363
   30    HD3  PRO   6           1HD      PRO   6  -3.332  -5.143   5.390
   31    H    ARG   7           H        ARG   7  -1.326  -6.311   2.344
   32    HA   ARG   7           HA       ARG   7   1.244  -7.468   1.738
   33    HB2  ARG   7           2HB      ARG   7  -1.361  -7.897   0.269
   34    HB3  ARG   7           1HB      ARG   7   0.035  -8.963   0.308
   35    HG2  ARG   7           2HG      ARG   7  -0.473  -8.731   2.973
   36    HG3  ARG   7           1HG      ARG   7  -2.105  -8.581   2.322
   37    HD2  ARG   7           2HD      ARG   7  -1.660 -10.932   2.723
   38    HD3  ARG   7           1HD      ARG   7  -1.700 -10.665   0.978
   39    HE   ARG   7           HE       ARG   7   0.962 -10.362   1.843
   40   HH11  ARG   7          1HH2      ARG   7  -1.466 -12.775   1.600
   41   HH12  ARG   7          2HH2      ARG   7  -0.340 -14.072   1.418
   42   HH21  ARG   7          1HH1      ARG   7   2.407 -12.046   1.617
   43   HH22  ARG   7          2HH1      ARG   7   1.828 -13.663   1.434
   44    H    ABA   8           H        ABA   8  -1.168  -5.674  -0.220
   45    HA   ABA   8           HA       ABA   8   0.453  -5.437  -2.520
   46    HB3  ABA   8           1HB      ABA   8  -2.138  -4.785  -1.885
   47    HB2  ABA   8           2HB      ABA   8  -1.327  -4.349  -3.377
   48    HG1  ABA   8           HG       ABA   8  -0.628  -2.149  -2.200
   49    H    ASN   9           H        ASN   9   0.452  -3.714   0.463
   50    HA   ASN   9           HA       ASN   9   1.492  -1.251  -0.023
   51    HB2  ASN   9           2HB      ASN   9   1.084  -2.133   2.229
   52    HB3  ASN   9           1HB      ASN   9   2.477  -3.200   2.071
   53   HD21  ASN   9          1HD2      ASN   9   4.605  -2.242   2.221
   54   HD22  ASN   9          2HD2      ASN   9   4.829  -0.636   2.718
   55    H    TYR  10           H        TYR  10   3.052  -0.577  -1.330
   56    HA   TYR  10           HA       TYR  10   5.196  -2.311  -2.169
   57    HB2  TYR  10           2HB      TYR  10   4.885   0.594  -2.895
   58    HB3  TYR  10           1HB      TYR  10   5.569  -0.719  -3.848
   59    HD1  TYR  10           2HD      TYR  10   4.096  -2.486  -4.796
   60    HD2  TYR  10           1HD      TYR  10   2.510   1.004  -2.871
   61    HE1  TYR  10           2HE      TYR  10   1.869  -2.933  -5.810
   62    HE2  TYR  10           1HE      TYR  10   0.290   0.561  -3.883
   63    HH   TYR  10           HH       TYR  10  -0.471  -2.411  -5.402
   64    H    ASP  11           H        ASP  11   7.410  -1.065  -2.405
   65    HA   ASP  11           HA       ASP  11   8.448  -0.748   0.205
   66    HB2  ASP  11           2HB      ASP  11   9.477  -0.820  -2.482
   67    HB3  ASP  11           1HB      ASP  11  10.226   0.505  -1.603
   68    H    HIS  12           H        HIS  12   6.659   1.388  -1.643
   69    HA   HIS  12           HA       HIS  12   6.915   3.511   0.250
   70    HB2  HIS  12           2HB      HIS  12   7.842   5.218  -1.336
   71    HB3  HIS  12           1HB      HIS  12   9.003   3.983  -0.861
   72    HD2  HIS  12           2HD      HIS  12   6.761   2.401  -3.428
   73    HE1  HIS  12           1HE      HIS  12   9.938   4.077  -5.647
   74    HE2  HIS  12           2HE      HIS  12   7.972   2.470  -5.749
   75    HA   PRO  13           HA       PRO  13   3.068   3.358  -2.349
   76    HB2  PRO  13           2HB      PRO  13   1.661   3.677   0.200
   77    HB3  PRO  13           1HB      PRO  13   1.504   2.392  -1.008
   78    HG2  PRO  13           2HG      PRO  13   2.637   2.038   1.437
   79    HG3  PRO  13           1HG      PRO  13   3.048   1.072   0.010
   80    HD2  PRO  13           2HD      PRO  13   4.587   3.296   1.291
   81    HD3  PRO  13           1HD      PRO  13   5.181   1.844   0.451
   82    H    GLU  14           H        GLU  14   1.549   5.029  -2.763
   83    HA   GLU  14           HA       GLU  14   2.508   7.679  -2.106
   84    HB2  GLU  14           2HB      GLU  14   0.081   6.827  -3.704
   85    HB3  GLU  14           1HB      GLU  14   0.828   8.428  -3.707
   86    HG2  GLU  14           2HG      GLU  14   2.999   7.019  -4.343
   87    HG3  GLU  14           1HG      GLU  14   1.805   5.869  -4.927
   88    H    ILE  15           H        ILE  15   2.092   7.474   0.237
   89    HA   ILE  15           HA       ILE  15   0.806   7.646   2.161
   90    HB   ILE  15           HB       ILE  15  -0.470   9.711   0.356
   91   HG12  ILE  15          2HG1      ILE  15   1.174  11.090   1.971
   92   HG13  ILE  15          1HG1      ILE  15   2.047   9.559   1.958
   93   HG21  ILE  15          1HG2      ILE  15  -1.917   9.815   2.138
   94   HG22  ILE  15          2HG2      ILE  15  -0.602  10.743   2.855
   95   HG23  ILE  15          3HG2      ILE  15  -0.781   9.031   3.239
   96   HD11  ILE  15          3HD1      ILE  15   1.100  10.839  -0.604
   97   HD12  ILE  15          1HD1      ILE  15   2.353   9.620  -0.386
   98   HD13  ILE  15          2HD1      ILE  15   2.643  11.281   0.126
   99    H    CYS  16           H        CYS  16  -0.017   5.417   1.095
  100    HA   CYS  16           HA       CYS  16  -1.753   3.917   0.923
  101    HB2  CYS  16           2HB      CYS  16  -2.353   5.635   3.073
  102    HB3  CYS  16           1HB      CYS  16  -3.854   5.448   2.170
  103    HN1  NH2  17           2H       CYS  16  -3.145   6.334  -1.787
  104    HN2  NH2  17           1H       CYS  16  -1.663   6.490  -0.977
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1  -6.541   3.302  -3.981
    2    H2   GLY   1           2HT      GLY   1  -6.024   3.351  -2.364
    3    H3   GLY   1           3HT      GLY   1  -7.474   2.567  -2.773
    4    HA2  GLY   1           2HA      GLY   1  -6.352   0.816  -3.863
    5    HA3  GLY   1           1HA      GLY   1  -4.831   1.701  -3.804
    6    H    ABA   2           H        ABA   2  -3.524   0.601  -2.465
    7    HA   ABA   2           HA       ABA   2  -4.345  -1.030  -0.323
    8    HB3  ABA   2           1HB      ABA   2  -1.794  -0.351   0.375
    9    HB2  ABA   2           2HB      ABA   2  -1.790   0.035  -1.346
   10    HG1  ABA   2           HG       ABA   2  -2.780  -2.673  -0.357
   11    H    CYS   3           H        CYS   3  -5.867   0.210   0.846
   12    HA   CYS   3           HA       CYS   3  -4.810   2.467   2.426
   13    HB2  CYS   3           2HB      CYS   3  -7.423   1.752   1.368
   14    HB3  CYS   3           1HB      CYS   3  -7.492   2.100   3.094
   15    H    SER   4           H        SER   4  -6.155  -0.760   2.721
   16    HA   SER   4           HA       SER   4  -5.492  -0.743   5.607
   17    HB2  SER   4           2HB      SER   4  -7.292  -2.675   5.569
   18    HB3  SER   4           1HB      SER   4  -7.784  -0.986   5.668
   19    HG   SER   4           HG       SER   4  -8.247  -2.806   3.716
   20    H    ASP   5           H        ASP   5  -5.116  -2.343   2.547
   21    HA   ASP   5           HA       ASP   5  -4.120  -4.815   3.692
   22    HB2  ASP   5           2HB      ASP   5  -5.398  -4.547   1.474
   23    HB3  ASP   5           1HB      ASP   5  -3.866  -4.008   0.806
   24    HA   PRO   6           HA       PRO   6   0.051  -3.139   3.725
   25    HB2  PRO   6           2HB      PRO   6   1.111  -4.953   5.415
   26    HB3  PRO   6           1HB      PRO   6   0.008  -3.682   5.981
   27    HG2  PRO   6           2HG      PRO   6  -0.516  -6.568   5.512
   28    HG3  PRO   6           1HG      PRO   6  -1.171  -5.484   6.749
   29    HD2  PRO   6           2HD      PRO   6  -2.485  -6.238   4.379
   30    HD3  PRO   6           1HD      PRO   6  -2.931  -4.875   5.429
   31    H    ARG   7           H        ARG   7  -1.122  -6.064   2.407
   32    HA   ARG   7           HA       ARG   7   1.427  -7.250   1.735
   33    HB2  ARG   7           2HB      ARG   7  -1.397  -7.764   0.800
   34    HB3  ARG   7           1HB      ARG   7  -0.011  -8.633   0.150
   35    HG2  ARG   7           2HG      ARG   7   0.595  -9.107   2.629
   36    HG3  ARG   7           1HG      ARG   7  -1.071  -8.639   2.971
   37    HD2  ARG   7           2HD      ARG   7  -1.192 -10.972   2.671
   38    HD3  ARG   7           1HD      ARG   7  -1.724 -10.316   1.122
   39    HE   ARG   7           HE       ARG   7   0.937 -10.632   0.715
   40   HH11  ARG   7          1HH2      ARG   7  -1.484 -12.692   2.030
   41   HH12  ARG   7          2HH2      ARG   7  -0.710 -14.144   1.495
   42   HH21  ARG   7          1HH1      ARG   7   1.924 -12.511   0.038
   43   HH22  ARG   7          2HH1      ARG   7   1.200 -14.045   0.388
   44    H    ABA   8           H        ABA   8  -0.724  -4.939   0.268
   45    HA   ABA   8           HA       ABA   8   0.672  -4.999  -2.292
   46    HB3  ABA   8           1HB      ABA   8  -1.898  -4.338  -1.571
   47    HB2  ABA   8           2HB      ABA   8  -1.129  -3.907  -3.090
   48    HG1  ABA   8           HG       ABA   8  -0.414  -1.695  -2.004
   49    H    ASN   9           H        ASN   9   0.985  -3.540   0.717
   50    HA   ASN   9           HA       ASN   9   2.008  -1.006   0.182
   51    HB2  ASN   9           2HB      ASN   9   1.461  -1.809   2.442
   52    HB3  ASN   9           1HB      ASN   9   2.822  -2.926   2.377
   53   HD21  ASN   9          1HD2      ASN   9   5.011  -1.719   1.813
   54   HD22  ASN   9          2HD2      ASN   9   5.252  -0.252   2.634
   55    H    TYR  10           H        TYR  10   3.322  -1.112  -1.717
   56    HA   TYR  10           HA       TYR  10   5.625  -2.766  -1.929
   57    HB2  TYR  10           2HB      TYR  10   5.506  -0.153  -3.365
   58    HB3  TYR  10           1HB      TYR  10   5.945  -1.747  -3.966
   59    HD1  TYR  10           1HD      TYR  10   4.228  -3.365  -4.631
   60    HD2  TYR  10           2HD      TYR  10   3.184   0.566  -3.270
   61    HE1  TYR  10           1HE      TYR  10   1.934  -3.658  -5.540
   62    HE2  TYR  10           2HE      TYR  10   0.890   0.274  -4.174
   63    HH   TYR  10           HH       TYR  10  -0.184  -1.125  -6.001
   64    H    ASP  11           H        ASP  11   7.560  -0.813  -2.734
   65    HA   ASP  11           HA       ASP  11   8.789  -0.274  -0.226
   66    HB2  ASP  11           2HB      ASP  11   9.398   0.314  -3.084
   67    HB3  ASP  11           1HB      ASP  11  10.249   1.239  -1.853
   68    H    HIS  12           H        HIS  12   6.543   1.415  -2.126
   69    HA   HIS  12           HA       HIS  12   6.242   3.491  -0.163
   70    HB2  HIS  12           2HB      HIS  12   6.679   5.372  -1.785
   71    HB3  HIS  12           1HB      HIS  12   8.115   4.498  -1.263
   72    HD2  HIS  12           2HD      HIS  12   6.396   2.350  -3.839
   73    HE1  HIS  12           1HE      HIS  12   9.119   4.731  -6.024
   74    HE2  HIS  12           2HE      HIS  12   7.604   2.695  -6.142
   75    HA   PRO  13           HA       PRO  13   2.521   2.469  -2.708
   76    HB2  PRO  13           2HB      PRO  13   0.890   1.760  -0.664
   77    HB3  PRO  13           1HB      PRO  13   2.088   0.637  -1.339
   78    HG2  PRO  13           2HG      PRO  13   2.240   2.298   1.137
   79    HG3  PRO  13           1HG      PRO  13   2.731   0.620   0.876
   80    HD2  PRO  13           2HD      PRO  13   4.500   2.724   0.871
   81    HD3  PRO  13           1HD      PRO  13   4.775   1.208  -0.018
   82    H    GLU  14           H        GLU  14   3.514   4.940  -0.935
   83    HA   GLU  14           HA       GLU  14   2.754   7.068  -0.554
   84    HB2  GLU  14           2HB      GLU  14   1.663   6.492  -2.875
   85    HB3  GLU  14           1HB      GLU  14   0.169   6.470  -1.937
   86    HG2  GLU  14           2HG      GLU  14   0.471   8.731  -1.225
   87    HG3  GLU  14           1HG      GLU  14   2.129   8.775  -1.816
   88    H    ILE  15           H        ILE  15   1.749   4.535   0.970
   89    HA   ILE  15           HA       ILE  15   0.236   4.014   2.658
   90    HB   ILE  15           HB       ILE  15   1.044   6.843   3.376
   91   HG12  ILE  15          2HG1      ILE  15   2.625   5.319   4.881
   92   HG13  ILE  15          1HG1      ILE  15   2.363   4.158   3.581
   93   HG21  ILE  15          1HG2      ILE  15  -0.602   4.819   4.702
   94   HG22  ILE  15          2HG2      ILE  15  -0.374   6.519   5.113
   95   HG23  ILE  15          3HG2      ILE  15   0.776   5.310   5.685
   96   HD11  ILE  15          3HD1      ILE  15   3.801   5.261   2.247
   97   HD12  ILE  15          1HD1      ILE  15   4.180   6.325   3.600
   98   HD13  ILE  15          2HD1      ILE  15   2.907   6.764   2.462
   99    H    CYS  16           H        CYS  16  -1.127   4.892   0.343
  100    HA   CYS  16           HA       CYS  16  -3.224   5.534  -0.347
  101    HB2  CYS  16           2HB      CYS  16  -3.511   4.547   2.305
  102    HB3  CYS  16           1HB      CYS  16  -4.559   5.954   2.138
  103    HN1  NH2  17           2H       CYS  16  -2.121   9.057   0.808
  104    HN2  NH2  17           1H       CYS  16  -1.166   7.658   0.695
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1  -8.019   3.018  -3.334
    2    H2   GLY   1           2HT      GLY   1  -6.871   3.573  -2.214
    3    H3   GLY   1           3HT      GLY   1  -7.951   2.342  -1.781
    4    HA2  GLY   1           2HA      GLY   1  -6.897   1.071  -3.766
    5    HA3  GLY   1           1HA      GLY   1  -5.573   2.207  -3.515
    6    H    ABA   2           H        ABA   2  -4.121   0.625  -2.744
    7    HA   ABA   2           HA       ABA   2  -4.713  -1.251  -0.709
    8    HB3  ABA   2           1HB      ABA   2  -1.927  -0.423  -0.682
    9    HB2  ABA   2           2HB      ABA   2  -2.505  -0.628  -2.333
   10    HG1  ABA   2           HG       ABA   2  -3.171  -2.830  -0.389
   11    H    CYS   3           H        CYS   3  -5.980   0.430   0.570
   12    HA   CYS   3           HA       CYS   3  -4.355   2.167   2.271
   13    HB2  CYS   3           2HB      CYS   3  -7.098   2.074   1.430
   14    HB3  CYS   3           1HB      CYS   3  -7.030   2.094   3.192
   15    H    SER   4           H        SER   4  -6.391  -0.714   2.594
   16    HA   SER   4           HA       SER   4  -5.310  -1.098   5.329
   17    HB2  SER   4           2HB      SER   4  -7.753  -2.575   4.559
   18    HB3  SER   4           1HB      SER   4  -7.344  -1.771   6.073
   19    HG   SER   4           HG       SER   4  -7.919   0.181   5.185
   20    H    ASP   5           H        ASP   5  -4.037  -1.945   2.843
   21    HA   ASP   5           HA       ASP   5  -4.035  -4.855   3.320
   22    HB2  ASP   5           2HB      ASP   5  -4.701  -3.451   0.902
   23    HB3  ASP   5           1HB      ASP   5  -3.259  -4.416   0.650
   24    HA   PRO   6           HA       PRO   6   0.228  -3.124   3.946
   25    HB2  PRO   6           2HB      PRO   6   0.836  -5.008   5.893
   26    HB3  PRO   6           1HB      PRO   6   0.160  -3.402   6.222
   27    HG2  PRO   6           2HG      PRO   6  -1.197  -6.040   6.112
   28    HG3  PRO   6           1HG      PRO   6  -1.504  -4.651   7.169
   29    HD2  PRO   6           2HD      PRO   6  -3.091  -5.246   5.036
   30    HD3  PRO   6           1HD      PRO   6  -2.836  -3.585   5.600
   31    H    ARG   7           H        ARG   7  -1.218  -5.859   2.774
   32    HA   ARG   7           HA       ARG   7   1.277  -7.305   2.210
   33    HB2  ARG   7           2HB      ARG   7  -0.199  -9.100   1.423
   34    HB3  ARG   7           1HB      ARG   7  -0.644  -8.597   3.047
   35    HG2  ARG   7           2HG      ARG   7  -2.737  -8.254   2.305
   36    HG3  ARG   7           1HG      ARG   7  -2.115  -6.920   1.332
   37    HD2  ARG   7           2HD      ARG   7  -2.201  -9.824   0.460
   38    HD3  ARG   7           1HD      ARG   7  -3.334  -8.576  -0.039
   39    HE   ARG   7           HE       ARG   7  -0.427  -8.407  -0.621
   40   HH11  ARG   7          1HH2      ARG   7  -3.743  -8.080  -1.566
   41   HH12  ARG   7          2HH2      ARG   7  -3.341  -7.469  -3.130
   42   HH21  ARG   7          1HH1      ARG   7   0.041  -7.616  -2.615
   43   HH22  ARG   7          2HH1      ARG   7  -1.224  -7.214  -3.723
   44    H    ABA   8           H        ABA   8  -0.468  -4.843   0.855
   45    HA   ABA   8           HA       ABA   8   0.250  -5.642  -1.904
   46    HB3  ABA   8           1HB      ABA   8  -2.223  -4.800  -0.910
   47    HB2  ABA   8           2HB      ABA   8  -1.759  -4.909  -2.599
   48    HG1  ABA   8           HG       ABA   8  -0.909  -2.465  -2.390
   49    H    ASN   9           H        ASN   9   0.306  -3.030   0.460
   50    HA   ASN   9           HA       ASN   9   1.356  -0.935  -0.964
   51    HB2  ASN   9           2HB      ASN   9   1.954  -0.019   1.070
   52    HB3  ASN   9           1HB      ASN   9   0.837  -1.263   1.613
   53   HD21  ASN   9          1HD2      ASN   9   4.313  -0.536   1.236
   54   HD22  ASN   9          2HD2      ASN   9   4.828  -1.686   2.369
   55    H    TYR  10           H        TYR  10   3.330  -0.314  -1.756
   56    HA   TYR  10           HA       TYR  10   5.310  -2.420  -2.087
   57    HB2  TYR  10           2HB      TYR  10   6.082   0.026  -3.350
   58    HB3  TYR  10           1HB      TYR  10   5.592  -1.485  -4.098
   59    HD1  TYR  10           1HD      TYR  10   2.924  -1.930  -3.904
   60    HD2  TYR  10           2HD      TYR  10   4.845   1.911  -3.878
   61    HE1  TYR  10           1HE      TYR  10   0.804  -0.861  -4.637
   62    HE2  TYR  10           2HE      TYR  10   2.725   2.976  -4.615
   63    HH   TYR  10           HH       TYR  10   0.667   2.370  -5.756
   64    H    ASP  11           H        ASP  11   7.635  -1.053  -2.380
   65    HA   ASP  11           HA       ASP  11   8.409  -0.572   0.351
   66    HB2  ASP  11           2HB      ASP  11   9.692  -1.315  -2.059
   67    HB3  ASP  11           1HB      ASP  11  10.435   0.193  -1.541
   68    H    HIS  12           H        HIS  12   6.941   1.327  -1.870
   69    HA   HIS  12           HA       HIS  12   7.466   3.751  -0.402
   70    HB2  HIS  12           2HB      HIS  12   8.155   4.994  -2.548
   71    HB3  HIS  12           1HB      HIS  12   9.376   3.991  -1.775
   72    HD2  HIS  12           2HD      HIS  12   6.925   1.806  -3.695
   73    HE1  HIS  12           1HE      HIS  12  10.208   2.425  -6.276
   74    HE2  HIS  12           2HE      HIS  12   8.108   1.040  -5.902
   75    HA   PRO  13           HA       PRO  13   3.419   3.486  -2.622
   76    HB2  PRO  13           2HB      PRO  13   1.798   2.775  -0.575
   77    HB3  PRO  13           1HB      PRO  13   2.758   1.585  -1.474
   78    HG2  PRO  13           2HG      PRO  13   3.180   2.687   1.236
   79    HG3  PRO  13           1HG      PRO  13   3.620   1.106   0.575
   80    HD2  PRO  13           2HD      PRO  13   5.342   3.355   0.904
   81    HD3  PRO  13           1HD      PRO  13   5.720   1.832   0.072
   82    H    GLU  14           H        GLU  14   1.541   4.884  -2.407
   83    HA   GLU  14           HA       GLU  14   2.156   7.461  -1.314
   84    HB2  GLU  14           2HB      GLU  14   0.750   6.845  -3.399
   85    HB3  GLU  14           1HB      GLU  14  -0.571   6.603  -2.254
   86    HG2  GLU  14           2HG      GLU  14  -0.471   8.874  -1.509
   87    HG3  GLU  14           1HG      GLU  14   1.072   9.146  -2.312
   88    H    ILE  15           H        ILE  15   2.117   5.467   0.733
   89    HA   ILE  15           HA       ILE  15   0.953   4.789   2.673
   90    HB   ILE  15           HB       ILE  15   1.048   7.790   2.964
   91   HG12  ILE  15          2HG1      ILE  15   3.187   6.971   2.076
   92   HG13  ILE  15          1HG1      ILE  15   3.370   7.428   3.766
   93   HG21  ILE  15          1HG2      ILE  15   1.022   5.441   4.856
   94   HG22  ILE  15          2HG2      ILE  15   0.010   6.887   4.883
   95   HG23  ILE  15          3HG2      ILE  15   1.707   6.989   5.351
   96   HD11  ILE  15          3HD1      ILE  15   4.419   5.354   3.767
   97   HD12  ILE  15          1HD1      ILE  15   3.339   4.694   2.541
   98   HD13  ILE  15          2HD1      ILE  15   2.775   4.888   4.200
   99    H    CYS  16           H        CYS  16  -1.037   4.184   1.475
  100    HA   CYS  16           HA       CYS  16  -3.336   4.025   1.568
  101    HB2  CYS  16           2HB      CYS  16  -2.754   5.658   3.788
  102    HB3  CYS  16           1HB      CYS  16  -4.059   6.453   2.915
  103    HN1  NH2  17           2H       CYS  16  -3.209   7.637  -0.284
  104    HN2  NH2  17           1H       CYS  16  -2.196   7.360   1.045