*HEADER    TOXIN                                   10-APR-01   1IEN              
*TITLE     SOLUTION STRUCTURE OF TIA                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN TIA;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN CONUS TULIPA (FISH-                
*SOURCE   5 HUNTING CONE SNAIL).                                                 
*KEYWDS    CONOTOXIN, ALPHA1-ADRENOCEPTORS,                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    I.A.SHARPE, J.GEHRMANN, M.L.LOUGHNAN, L.THOMAS, D.A.ADAMS,            
*AUTHOR   2 A.ATKINS, E.PALANT, D.J.CRAIK, D.J.ADAMS, P.F.ALEWOOD,               
*AUTHOR   3 R.J.LEWIS                                                            
*REVDAT   1   03-APR-02 1IEN    0                                                

TIA NOE and dihedral restraints

! Residue 1 (Phe)
assign (residue 1 and name  HA )(resid 1 and name HD*  ) 0 0 4.7 !

assign (residue 1 and name  HA )(resid 2 and name HN   ) 0 0 3.5 !
assign (residue 1 and name  HB1 )(resid 2 and name HN   ) 0 0 3.5 !
assign (residue 1 and name  HB2 )(resid 2 and name HN   ) 0 0 3.5 !
assign (residue 1 and name  HD* )(resid 2 and name HN   ) 0 0 5.5 !
assign (residue 1 and name  HD* )(resid 3 and name HA   ) 0 0 7.0 !
assign (residue 1 and name  HE* )(resid 3 and name HA   ) 0 0 5.5 !
assign (residue 1 and name  HZ )(resid 3 and name HA   ) 0 0 6.0 !
assign (residue 1 and name  HA )(resid 4 and name HA   ) 0 0 6.0 !
assign (residue 1 and name  HD* )(resid 5 and name HB1  ) 0 0 7.0 !
assign (residue 1 and name  HD* )(resid 5 and name HB2  ) 0 0 7.0 !
assign (residue 1 and name  HE* )(resid 5 and name HB1  ) 0 0 7.0 !
assign (residue 1 and name  HE* )(resid 5 and name HB2  ) 0 0 7.0 !
assign (residue 1 and name  HZ )(resid 5 and name HB1  ) 0 0 7.0 !
assign (residue 1 and name  HZ )(resid 5 and name HB2  ) 0 0 7.0 !
assign (residue 1 and name  HE* )(resid 15 and name HB1  ) 0 0 7.0 !
assign (residue 1 and name  HE* )(resid 15 and name HB2  ) 0 0 7.0 !
assign (residue 1 and name  HZ )(resid 15 and name HB1  ) 0 0 6.0 !
assign (residue 1 and name  HZ )(resid 15 and name HB2  ) 0 0 6.0 !


! Residue 2 (Asn)
assign (residue 2 and name  HN )(resid 3 and name HN   ) 0 0 6.0 !
assign (residue 2 and name  HA )(resid 3 and name HN   ) 0 0 2.7 !
assign (residue 2 and name  HA )(resid 3 and name HD1  ) 0 0 5.0 !
assign (residue 2 and name  HA )(resid 3 and name HH2  ) 0 0 6.0 !
assign (residue 2 and name  HB* )(resid 3 and name HN  ) 0 0 4.5 !
assign (residue 2 and name  HA )(resid 4 and name HN   ) 0 0 5.0 !
assign (residue 2 and name  HD1)(resid 4 and name HG*  ) 0 0 7.0 !
assign (residue 2 and name  HN )(resid 5 and name HN   ) 0 0 6.0 !
assign (residue 2 and name  HN )(resid 4 and name HN   ) 0 0 6.0 !

! Residue 3 (Trp)
assign (residue 3 and name  HN )(resid 3 and name HA   ) 0 0 3.5 !
assign (residue 3 and name  HN )(resid 3 and name HB*  ) 0 0 3.5 !
assign (residue 3 and name  HN )(resid 3 and name HE1  ) 0 0 6.0 !
assign (residue 3 and name  HN )(resid 3 and name HE3  ) 0 0 3.5 !
assign (residue 3 and name  HA )(resid 3 and name HE3  ) 0 0 5.0 !
assign (residue 3 and name  HB*)(resid 3 and name HE3  ) 0 0 4.5 !

assign (residue 3 and name  HN )(resid 4 and name HN   ) 0 0 3.5 !
assign (residue 3 and name  HA )(resid 4 and name HN   ) 0 0 3.5 !
assign (residue 3 and name  HB1)(resid 4 and name HN   ) 0 0 5.0 !
assign (residue 3 and name  HB2)(resid 4 and name HN   ) 0 0 5.0 !
assign (residue 3 and name  HN )(resid 4 and name HZ   ) 0 0 6.0 !
assign (residue 3 and name  HE3)(resid 4 and name HN   ) 0 0 6.0 !
assign (residue 3 and name  HE3)(resid 4 and name HA   ) 0 0 3.5 !
assign (residue 3 and name  HZ2)(resid 4 and name HN   ) 0 0 7.0 !
assign (residue 3 and name  HA )(resid 5 and name HN   ) 0 0 3.5 !
assign (residue 3 and name  HE3)(resid 7 and name HG*  ) 0 0 6.0 !
assign (residue 3 and name  HE3)(resid 2 and name HD1  ) 0 0 3.5 ! 

! Residue 4 (Arg)
assign (residue 4 and name  HB*)(resid 4 and name HN   ) 0 0 3.5 !

assign (residue 4 and name  HN )(resid 5 and name HN   ) 0 0 3.5 !
assign (residue 4 and name  HG*)(resid 5 and name HN   ) 0 0 6.0 !
assign (residue 4 and name  HA )(resid 5 and name HN   ) 0 0 3.5 !
assign (residue 4 and name  HB1)(resid 5 and name HN   ) 0 0 3.5 !
assign (residue 4 and name  HB2)(resid 5 and name HN   ) 0 0 3.5 !
assign (residue 4 and name  HA )(resid 6 and name HN   ) 0 0 5.0 !
assign (residue 4 and name  HA )(resid 7 and name HN   ) 0 0 6.0 !
assign (residue 4 and name  HA )(resid 7 and name HB* ) 0 0 6.0 !
assign (residue 4 and name  HA )(resid 7 and name HG) 0 0 3.5 !
assign (residue 4 and name  HA )(resid 8 and name HD1*  ) 0 0 6.5 !

! Residue 5 (Cys)
assign (residue 5 and name  HN )(resid 6 and name HN   ) 0 0 5.0 !
assign (residue 5 and name  HA )(resid 6 and name HN   ) 0 0 3.5 !
assign (residue 5 and name  HB1)(resid 6 and name HN   ) 0 0 3.5 !
assign (residue 5 and name  HB2)(resid 6 and name HN   ) 0 0 3.5 !
assign (residue 5 and name  HB1)(resid 6 and name HA   ) 0 0 6.0 !
assign (residue 5 and name  HB2)(resid 6 and name HA   ) 0 0 6.0 !
assign (residue 5 and name  HA )(resid 7 and name HN   ) 0 0 6.0 !
assign (residue 5 and name  HB1)(resid 7 and name HN   ) 0 0 6.0 !
assign (residue 5 and name  HB2)(resid 7 and name HN   ) 0 0 6.0 !
assign (residue 5 and name  HN )(resid 8 and name HD1*  ) 0 0 6.5 !
assign (residue 5 and name  HA )(resid 8 and name HN    ) 0 0 5.0 !
assign (residue 5 and name  HA )(resid 8 and name HB1   ) 0 0 3.5 !
assign (residue 5 and name  HA )(resid 8 and name HG1   ) 0 0 5.0 !
assign (residue 5 and name  HA )(resid 8 and name HG2   ) 0 0 5.0 !
assign (residue 5 and name  HA )(resid 8 and name HD1*   ) 0 0 6.5 !
assign (residue 5 and name  HA )(resid 11 and name HN   ) 0 0 6.0 !
assign (residue 5 and name  HA )(resid 11 and name HB1  ) 0 0 5.0 !
assign (residue 5 and name  HA )(resid 11 and name HB2  ) 0 0 5.0 !

! Residue 6 (Cys)
assign (residue 6 and name  HA)(resid 7 and name HN ) 0 0 5.0 !
assign (residue 6 and name  HB1)(resid 7 and name HN ) 0 0 5.0 !
assign (residue 6 and name  HB2)(resid 7 and name HN ) 0 0 5.0 !
assign (residue 6 and name  HA)(resid 12 and name HA ) 0 0 3.5 !
assign (residue 6 and name  HA)(resid 19 and name HB1 ) 0 0 5.0 !
assign (residue 6 and name  HA)(resid 19 and name HB2 ) 0 0 5.0 !
assign (residue 6 and name  HB1)(resid 19 and name HA ) 0 0 6.0 !
assign (residue 6 and name  HB2)(resid 19 and name HA ) 0 0 6.0 !
assign (residue 6 and name  HB1)(resid 19 and name HB1) 0 0 6.0 !
assign (residue 6 and name  HB1)(resid 19 and name HB2) 0 0 6.0 !
assign (residue 6 and name  HB2)(resid 19 and name HB1) 0 0 6.0 !
assign (residue 6 and name  HB2)(resid 19 and name HB2) 0 0 6.0 !

! Residue 7 (Leu)
assign (residue 7 and name  HN )(resid 8 and name HN ) 0 0 2.7 !
assign (residue 7 and name  HN )(resid 8 and name HB1 ) 0 0 5.0 !
assign (residue 7 and name  HA )(resid 8 and name HN ) 0 0 3.5 !
assign (residue 7 and name  HB*)(resid 8 and name HN ) 0 0 4.5 !

! Residue 8 (Ile)
assign (residue 8 and name  HN)(resid 8 and name HA ) 0 0 3.5 !
assign (residue 8 and name  HN)(resid 8 and name HB ) 0 0 2.7 !

assign (residue 8 and name  HA)(resid  9 and name HD1) 0 0 2.7 !
assign (residue 8 and name  HA)(resid  9 and name HD2) 0 0 2.7 !
assign (residue 8 and name  HA)(resid  9 and name HG1) 0 0 5.0 !
assign (residue 8 and name  HA)(resid  9 and name HG2) 0 0 5.0 !
assign (residue 8 and name  HA)(resid  9 and name HB1) 0 0 6.0 !
assign (residue 8 and name  HA)(resid  9 and name HB2) 0 0 6.0 !
assign (residue 8 and name  HG2*)(resid 9 and name HG1) 0 0 5.0 !
assign (residue 8 and name  HG2*)(resid 9 and name HG2) 0 0 5.0 !
assign (residue 8 and name  HA)(resid 10 and name HN ) 0 0 5.0 !
assign (residue 8 and name  HB)(resid 10 and name HN ) 0 0 6.0 !
assign (residue 8 and name  HD1*)(resid 10 and name HN ) 0 0 7.5 !
assign (residue 8 and name  HG2*)(resid 10 and name HN ) 0 0 6.5 !
assign (residue 8 and name  HN )(resid 11 and name HN ) 0 0 6.0 !
assign (residue 8 and name  HB )(resid 11 and name HN ) 0 0 3.5 !
assign (residue 8 and name  HB )(resid 11 and name HA ) 0 0 5.0 !
assign (residue 8 and name  HB )(resid 11 and name HB1) 0 0 2.7 !
assign (residue 8 and name  HB )(resid 11 and name HB2) 0 0 2.7 !
assign (residue 8 and name  HG2* )(resid 11 and name HB2) 0 0 4.5 !
assign (residue 8 and name  HD1* )(resid 11 and name HB2) 0 0 5.5 !
assign (residue 8 and name  HG2*)(resid 11 and name HN ) 0 0 4.3 !
assign (residue 8 and name  HG2*)(resid 11 and name HA ) 0 0 6.0 !
assign (residue 8 and name  HN)(resid 12 and name HN ) 0 0 6.0 !
assign (residue 8 and name  HB)(resid 12 and name HN ) 0 0 5.0 !
assign (residue 8 and name  HG2*)(resid 12 and name HN ) 0 0 5.5 !

! Residue 9 (Pro)
assign (residue 9 and name  HB*)(resid 10 and name HN ) 0 0 4.5 !
assign (residue 9 and name  HG*)(resid 10 and name HN ) 0 0 4.5 !
assign (residue 9 and name  HD1)(resid 10 and name HN ) 0 0 3.5 !
assign (residue 9 and name  HD2)(resid 10 and name HN ) 0 0 3.5 !
assign (residue 9 and name  HA )(resid 12 and name HN ) 0 0 3.5 !

! Residue 10 (Ala)
assign (residue 10 and name  HN)(resid 11 and name HN ) 0 0 3.5 !
assign (residue 10 and name  HA)(resid 11 and name HN ) 0 0 6.5 !
assign (residue 10 and name  HB*)(resid 11 and name HN ) 0 0 4.3 !
assign (residue 10 and name  HB*)(resid 11 and name HA ) 0 0 6.5 !
assign (residue 10 and name  HN)(resid 12 and name HN ) 0 0 6.0 !
assign (residue 10 and name  HB*)(resid 12 and name HN ) 0 0 7.5 !

! Residue 11 (Cys)
assign (residue 11 and name  HN)(resid 12 and name HN ) 0 0 2.7 !
assign (residue 11 and name  HA )(resid 12 and name HN ) 0 0 5.0 !
assign (residue 11 and name  HB1)(resid 12 and name HN ) 0 0 3.5 !
assign (residue 11 and name  HB2)(resid 12 and name HN ) 0 0 3.5 !
assign (residue 11 and name  HN )(resid 13 and name HN ) 0 0 3.5 !
assign (residue 11 and name  HB1)(resid 13 and name HN ) 0 0 6.0 !
assign (residue 11 and name  HB2)(resid 13 and name HN ) 0 0 6.0 !
assign (residue 11 and name  HA )(resid 14 and name HN) 0 0 5.0 !
assign (residue 11 and name  HA )(resid 14 and name HB*) 0 0 6.0 !
assign (residue 11 and name  HA )(resid 14 and name HD1) 0 0 6.0 !
assign (residue 11 and name  HA )(resid 15 and name HD2) 0 0 6.0 !
assign (residue 11 and name  HA )(resid 16 and name HZ ) 0 0 5.0 !

! Residue 12 (Arg)
assign (residue 12 and name  HN )(resid 13 and name HN ) 0 0 2.7 !
assign (residue 12 and name  HA )(resid 13 and name HN ) 0 0 3.5 !
assign (residue 12 and name  HB*)(resid 13 and name HN ) 0 0 4.5 !
assign (residue 12 and name  HD*)(resid 13 and name HN ) 0 0 7.0 !
assign (residue 12 and name  HD1)(resid 13 and name HA ) 0 0 5.0 !
assign (residue 12 and name  HD2)(resid 13 and name HA ) 0 0 5.0 !
assign (residue 12 and name  HN )(resid 14 and name HN ) 0 0 6.0 !
assign (residue 12 and name  HA )(resid 14 and name HN ) 0 0 6.0 !
assign (residue 12 and name  HA )(resid 15 and name HN ) 0 0 6.0 !

! Residue 13 (Arg)
assign (residue 13 and name  HN )(resid 14 and name HN ) 0 0 3.5 !
assign (residue 13 and name  HA )(resid 14 and name HA ) 0 0 6.0 !
assign (residue 13 and name  HB*)(resid 14 and name HN ) 0 0 4.5 !
assign (residue 13 and name  HG* )(resid 14 and name HN ) 0 0 6.0 !
assign (residue 13 and name  HA )(resid 15 and name HN ) 0 0 5.0 !
assign (residue 13 and name  HG*)(resid 15 and name HN ) 0 0 6.0 !
assign (residue 13 and name  HA )(resid 16 and name HN ) 0 0 5.0 !

! Residue 14 (Asn)
assign (residue 14 and name  HN )(resid 15 and name HN  ) 0 0 2.7 !
assign (residue 14 and name  HA )(resid 15 and name HN  ) 0 0 3.5 !
assign (residue 14 and name  HB*)(resid 15 and name HN  ) 0 0 4.5 !
assign (residue 14 and name  HB*)(resid 15 and name HA  ) 0 0 6.0 !
assign (residue 14 and name  HN)(resid 16 and name HN  ) 0 0 6.0 !

! Residue 15 (His)
assign (residue 15 and name  HN )(resid 16 and name HN  ) 0 0 2.7 !
assign (residue 15 and name  HN )(resid 16 and name HA  ) 0 0 6.0 !
assign (residue 15 and name  HA )(resid 16 and name HN  ) 0 0 3.5 !
assign (residue 15 and name  HB1)(resid 16 and name HN  ) 0 0 5.0 !
assign (residue 15 and name  HB2)(resid 16 and name HN  ) 0 0 5.0 !
assign (residue 15 and name  HA )(resid 17 and name HN  ) 0 0 5.0 !
assign (residue 15 and name  HA )(resid 18 and name HN  ) 0 0 5.0 !
assign (residue 15 and name  HB1)(resid 18 and name HN  ) 0 0 6.0 !
assign (residue 15 and name  HB2)(resid 18 and name HN  ) 0 0 6.0 !
assign (residue 15 and name  HB1)(resid 18 and name HD* ) 0 0 6.5 !
assign (residue 15 and name  HB2)(resid 18 and name HD*) 0 0 6.5 !

! Residue 16 (Lys)
assign (residue 16 and name  HA )(resid 16 and name HN  ) 0 0 2.7 !

assign (residue 16 and name  HN )(resid 17 and name HN  ) 0 0 3.5 !
assign (residue 16 and name  HA )(resid 17 and name HN  ) 0 0 3.5 !
assign (residue 16 and name  HB*)(resid 17 and name HN  ) 0 0 3.7 !
assign (residue 16 and name  HN )(resid 18 and name HN  ) 0 0 6.0 !
assign (residue 16 and name  HA )(resid 19 and name HH2  ) 0 0 5.0 !
assign (residue 16 and name  HA )(resid 19 and name HN  ) 0 0 6.0 !
assign (residue 16 and name  HA )(resid 19 and name HB1 ) 0 0 6.0 !
assign (residue 16 and name  HA )(resid 19 and name HB2 ) 0 0 6.0 !

! Residue 17 (Lys)
assign (residue 17 and name  HN )(resid 18 and name HN ) 0 0 2.7 !
assign (residue 17 and name  HN )(resid 18 and name HB1 ) 0 0 6.0 !
assign (residue 17 and name  HN )(resid 18 and name HB2 ) 0 0 6.0 !
assign (residue 17 and name  HA )(resid 18 and name HN  ) 0 0 3.5 !
assign (residue 17 and name  HB*)(resid 18 and name HN  ) 0 0 6.0 !
assign (residue 17 and name  HG*)(resid 18 and name HN  ) 0 0 6.0 !
assign (residue 17 and name  HN )(resid 19 and name HN  ) 0 0 5.0 !
assign (residue 17 and name  HA )(resid 19 and name HN  ) 0 0 3.5 !
assign (residue 17 and name  HA )(resid 19 and name HH1 ) 0 0 6.0 !
assign (residue 17 and name  HA )(resid 19 and name HH2) 0 0 5.0 !

! Residue 18 (Phe)
assign (residue 18 and name  HB1 )(resid 18 and name HN  ) 0 0 2.7 !
assign (residue 18 and name  HB2 )(resid 18 and name HN  ) 0 0 2.7 !
assign (residue 18 and name  HA )(resid 19 and name HN  ) 0 0 3.5 !
assign (residue 18 and name  HA )(resid 19 and name HH2 ) 0 0 6.0 !
assign (residue 18 and name  HB1)(resid 19 and name HN  ) 0 0 3.5 !
assign (residue 18 and name  HB2)(resid 19 and name HN  ) 0 0 3.5 !
assign (residue 18 and name  HD*)(resid 19 and name HN  ) 0 0 6.0 !
assign (residue 18 and name  HN )(resid 19 and name HA  ) 0 0 6.0 !
assign (residue 18 and name  HN )(resid 19 and name HH1  ) 0 0 6.0 !

! Residue 19 (Cys)
assign (residue 19 and name  HN )(resid 19 and name HH1  ) 0 0 3.5 !
assign (residue 19 and name  HN )(resid 19 and name HH2  ) 0 0 2.7 !
assign (residue 19 and name  HA)(resid 19 and name HH1  ) 0 0 5.0 !
assign (residue 19 and name  HA)(resid 19 and name HH2  ) 0 0 4.0 !






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          1H        PHE   1  -8.895  -4.500  19.468
    2   2H    PHE   1          2H        PHE   1  -8.868  -5.619  18.189
    3   3H    PHE   1          3H        PHE   1  -9.678  -4.137  18.005
    4    HA   PHE   1           HA       PHE   1  -7.755  -2.924  17.817
    5   1HB   PHE   1          2HB       PHE   1  -6.641  -3.917  19.858
    6   2HB   PHE   1          1HB       PHE   1  -6.299  -5.385  18.967
    7    HD1  PHE   1           HD1      PHE   1  -4.407  -5.492  17.464
    8    HD2  PHE   1           HD2      PHE   1  -5.557  -1.743  19.136
    9    HE1  PHE   1           HE1      PHE   1  -2.337  -4.479  16.632
   10    HE2  PHE   1           HE2      PHE   1  -3.479  -0.741  18.300
   11    HZ   PHE   1           HZ       PHE   1  -1.865  -2.107  17.050
   12    H    ASN   2           H        ASN   2  -6.646  -6.251  17.243
   13    HA   ASN   2           HA       ASN   2  -5.995  -7.256  15.140
   14   1HB   ASN   2          2HB       ASN   2  -8.448  -5.725  14.160
   15   2HB   ASN   2          1HB       ASN   2  -7.751  -7.184  13.477
   16   1HD2  ASN   2          1HD2      ASN   2  -8.383  -9.172  14.315
   17   2HD2  ASN   2          2HD2      ASN   2  -9.419  -9.350  15.649
   18    H    TRP   3           H        TRP   3  -6.631  -5.987  12.693
   19    HA   TRP   3           HA       TRP   3  -4.248  -4.276  12.355
   20   1HB   TRP   3          2HB       TRP   3  -5.821  -4.602   9.872
   21   2HB   TRP   3          1HB       TRP   3  -4.217  -5.215  10.223
   22    HD1  TRP   3           HD1      TRP   3  -4.026  -7.872  10.523
   23    HE1  TRP   3           HE1      TRP   3  -5.768  -9.634  10.787
   24    HE3  TRP   3           HE3      TRP   3  -8.151  -4.994  10.915
   25    HZ2  TRP   3           HZ2      TRP   3  -8.597  -9.920  11.153
   26    HZ3  TRP   3           HZ3      TRP   3 -10.373  -6.022  11.245
   27    HH2  TRP   3           HH2      TRP   3 -10.590  -8.481  11.373
   28    H    ARG   4           H        ARG   4  -7.174  -3.639  13.437
   29    HA   ARG   4           HA       ARG   4  -8.293  -1.583  11.884
   30   1HB   ARG   4          2HB       ARG   4  -8.133  -1.732  14.920
   31   2HB   ARG   4          1HB       ARG   4  -9.172  -0.665  14.024
   32   1HG   ARG   4          2HG       ARG   4 -10.421  -2.507  13.044
   33   2HG   ARG   4          1HG       ARG   4  -9.278  -3.693  13.639
   34   1HD   ARG   4          2HD       ARG   4 -11.328  -3.629  15.055
   35   2HD   ARG   4          1HD       ARG   4  -9.915  -3.139  15.981
   36    HE   ARG   4           HE       ARG   4 -11.354  -0.919  14.723
   37   1HH1  ARG   4          2HH1      ARG   4 -11.032  -2.967  17.508
   38   2HH1  ARG   4          1HH1      ARG   4 -11.779  -1.822  18.569
   39   1HH2  ARG   4          1HH2      ARG   4 -12.300   0.537  16.055
   40   2HH2  ARG   4          2HH2      ARG   4 -12.507   0.187  17.739
   41    H    CYS   5           H        CYS   5  -5.748  -1.647  14.166
   42    HA   CYS   5           HA       CYS   5  -5.073   1.077  14.488
   43   1HB   CYS   5          2HB       CYS   5  -4.231  -0.849  15.781
   44   2HB   CYS   5          1HB       CYS   5  -3.268  -1.341  14.433
   45    H    CYS   6           H        CYS   6  -3.889  -1.313  12.230
   46    HA   CYS   6           HA       CYS   6  -1.977   0.170  10.772
   47   1HB   CYS   6          2HB       CYS   6  -2.409  -2.218  10.457
   48   2HB   CYS   6          1HB       CYS   6  -3.861  -1.844   9.568
   49    H    LEU   7           H        LEU   7  -5.458   0.181  10.573
   50    HA   LEU   7           HA       LEU   7  -5.617   1.822   8.156
   51   1HB   LEU   7          2HB       LEU   7  -7.813   1.216  10.189
   52   2HB   LEU   7          1HB       LEU   7  -8.035   1.774   8.548
   53    HG   LEU   7           HG       LEU   7  -6.796  -0.919   9.295
   54   1HD1  LEU   7          1HD1      LEU   7  -8.929  -1.870   8.461
   55   2HD1  LEU   7          2HD1      LEU   7  -9.559  -0.251   8.199
   56   3HD1  LEU   7          3HD1      LEU   7  -9.216  -0.809   9.828
   57   1HD2  LEU   7          1HD2      LEU   7  -7.640   0.198   6.580
   58   2HD2  LEU   7          2HD2      LEU   7  -7.034  -1.424   6.873
   59   3HD2  LEU   7          3HD2      LEU   7  -5.979  -0.045   7.099
   60    H    ILE   8           H        ILE   8  -5.779   2.308  11.618
   61    HA   ILE   8           HA       ILE   8  -6.542   5.120  11.421
   62    HB   ILE   8           HB       ILE   8  -5.454   3.516  13.791
   63   1HG1  ILE   8          2HG1      ILE   8  -8.335   4.334  13.172
   64   2HG1  ILE   8          1HG1      ILE   8  -7.703   2.761  12.752
   65   1HG2  ILE   8          1HG2      ILE   8  -6.874   6.228  13.672
   66   2HG2  ILE   8          2HG2      ILE   8  -5.167   6.010  14.021
   67   3HG2  ILE   8          3HG2      ILE   8  -6.370   5.432  15.149
   68   1HD1  ILE   8          1HD1      ILE   8  -7.180   2.329  15.152
   69   2HD1  ILE   8          2HD1      ILE   8  -8.887   2.656  14.907
   70   3HD1  ILE   8          3HD1      ILE   8  -7.847   3.898  15.578
   71    HA   PRO   9           HA       PRO   9  -2.456   6.230  10.404
   72   1HB   PRO   9          2HB       PRO   9  -2.584   8.978  10.607
   73   2HB   PRO   9          1HB       PRO   9  -3.416   8.078   9.341
   74   1HG   PRO   9          2HG       PRO   9  -4.544   9.295  11.840
   75   2HG   PRO   9          1HG       PRO   9  -5.344   9.053  10.298
   76   1HD   PRO   9          2HD       PRO   9  -5.699   7.459  12.521
   77   2HD   PRO   9          1HD       PRO   9  -6.154   7.042  10.862
   78    H    ALA  10           H        ALA  10  -3.639   7.917  13.225
   79    HA   ALA  10           HA       ALA  10  -1.099   8.503  14.410
   80   1HB   ALA  10          1HB       ALA  10  -3.186   9.646  15.076
   81   2HB   ALA  10          2HB       ALA  10  -2.428   8.912  16.479
   82   3HB   ALA  10          3HB       ALA  10  -3.819   8.143  15.729
   83    H    CYS  11           H        CYS  11  -2.999   5.623  14.340
   84    HA   CYS  11           HA       CYS  11  -1.561   4.368  16.588
   85   1HB   CYS  11          2HB       CYS  11  -4.020   3.974  15.971
   86   2HB   CYS  11          1HB       CYS  11  -3.433   3.014  14.652
   87    H    ARG  12           H        ARG  12  -1.888   3.899  13.091
   88    HA   ARG  12           HA       ARG  12   0.072   1.774  12.973
   89   1HB   ARG  12          2HB       ARG  12  -0.158   1.920  10.584
   90   2HB   ARG  12          1HB       ARG  12  -1.726   2.227  11.269
   91   1HG   ARG  12          2HG       ARG  12  -1.629   3.857   9.607
   92   2HG   ARG  12          1HG       ARG  12  -1.198   4.723  11.061
   93   1HD   ARG  12          2HD       ARG  12   0.260   5.195   8.994
   94   2HD   ARG  12          1HD       ARG  12   1.136   4.848  10.464
   95    HE   ARG  12           HE       ARG  12   1.915   2.874   9.473
   96   1HH1  ARG  12          2HH1      ARG  12  -0.865   4.042   7.760
   97   2HH1  ARG  12          1HH1      ARG  12  -0.721   2.863   6.501
   98   1HH2  ARG  12          1HH2      ARG  12   2.112   1.376   7.892
   99   2HH2  ARG  12          2HH2      ARG  12   0.989   1.333   6.575
  100    H    ARG  13           H        ARG  13   0.332   5.125  13.318
  101    HA   ARG  13           HA       ARG  13   2.870   5.586  12.028
  102   1HB   ARG  13          2HB       ARG  13   1.343   7.439  12.664
  103   2HB   ARG  13          1HB       ARG  13   1.503   7.023  14.359
  104   1HG   ARG  13          2HG       ARG  13   3.943   7.575  14.242
  105   2HG   ARG  13          1HG       ARG  13   3.769   7.960  12.537
  106   1HD   ARG  13          2HD       ARG  13   2.151   9.767  13.119
  107   2HD   ARG  13          1HD       ARG  13   2.333   9.374  14.830
  108    HE   ARG  13           HE       ARG  13   4.926   9.821  13.802
  109   1HH1  ARG  13          2HH1      ARG  13   1.963  11.544  14.312
  110   2HH1  ARG  13          1HH1      ARG  13   2.754  13.068  14.527
  111   1HH2  ARG  13          1HH2      ARG  13   5.949  11.741  14.072
  112   2HH2  ARG  13          2HH2      ARG  13   5.043  13.184  14.391
  113    H    ASN  14           H        ASN  14   1.793   4.464  15.108
  114    HA   ASN  14           HA       ASN  14   4.564   4.089  16.135
  115   1HB   ASN  14          2HB       ASN  14   1.875   3.940  17.567
  116   2HB   ASN  14          1HB       ASN  14   3.450   3.806  18.339
  117   1HD2  ASN  14          1HD2      ASN  14   1.546   6.061  16.282
  118   2HD2  ASN  14          2HD2      ASN  14   2.218   7.474  16.941
  119    H    HIS  15           H        HIS  15   2.133   2.416  14.573
  120    HA   HIS  15           HA       HIS  15   3.318  -0.204  15.350
  121   1HB   HIS  15          2HB       HIS  15   0.329   0.398  15.172
  122   2HB   HIS  15          1HB       HIS  15   1.023  -1.189  15.483
  123    HD1  HIS  15           HD1      HIS  15   2.830  -0.948  17.653
  124    HD2  HIS  15           HD2      HIS  15  -0.326   1.638  17.534
  125    HE1  HIS  15           HE1      HIS  15   2.548  -0.090  19.950
  126    H    LYS  16           H        LYS  16   3.959   1.250  13.124
  127    HA   LYS  16           HA       LYS  16   2.510   0.616  10.781
  128   1HB   LYS  16          2HB       LYS  16   4.531   2.283  11.205
  129   2HB   LYS  16          1HB       LYS  16   5.548   0.911  10.868
  130   1HG   LYS  16          2HG       LYS  16   3.553   2.241   8.988
  131   2HG   LYS  16          1HG       LYS  16   5.287   2.238   8.839
  132   1HD   LYS  16          2HD       LYS  16   3.470  -0.178   8.474
  133   2HD   LYS  16          1HD       LYS  16   4.283   0.713   7.223
  134   1HE   LYS  16          2HE       LYS  16   6.480   0.043   7.981
  135   2HE   LYS  16          1HE       LYS  16   5.829  -0.744   9.408
  136   1HZ   LYS  16          1HZ       LYS  16   4.800  -2.375   8.119
  137   2HZ   LYS  16          2HZ       LYS  16   6.366  -2.209   7.481
  138   3HZ   LYS  16          3HZ       LYS  16   5.041  -1.519   6.673
  139    H    LYS  17           H        LYS  17   5.062  -0.894  12.569
  140    HA   LYS  17           HA       LYS  17   5.712  -3.080  10.928
  141   1HB   LYS  17          2HB       LYS  17   6.644  -4.061  13.064
  142   2HB   LYS  17          1HB       LYS  17   7.059  -2.365  12.902
  143   1HG   LYS  17          2HG       LYS  17   5.053  -1.784  14.349
  144   2HG   LYS  17          1HG       LYS  17   4.767  -3.499  14.580
  145   1HD   LYS  17          2HD       LYS  17   7.029  -3.738  15.598
  146   2HD   LYS  17          1HD       LYS  17   7.297  -2.015  15.393
  147   1HE   LYS  17          2HE       LYS  17   5.067  -3.261  17.066
  148   2HE   LYS  17          1HE       LYS  17   6.524  -2.514  17.701
  149   1HZ   LYS  17          1HZ       LYS  17   4.114  -1.300  16.820
  150   2HZ   LYS  17          2HZ       LYS  17   5.459  -0.634  16.028
  151   3HZ   LYS  17          3HZ       LYS  17   5.390  -0.640  17.723
  152    H    PHE  18           H        PHE  18   2.991  -2.646  12.944
  153    HA   PHE  18           HA       PHE  18   2.215  -5.359  13.353
  154   1HB   PHE  18          2HB       PHE  18   1.182  -3.225  14.326
  155   2HB   PHE  18          1HB       PHE  18   0.306  -3.054  12.827
  156    HD1  PHE  18           HD1      PHE  18   0.761  -5.302  15.750
  157    HD2  PHE  18           HD2      PHE  18  -1.565  -4.499  12.267
  158    HE1  PHE  18           HE1      PHE  18  -0.907  -6.947  16.478
  159    HE2  PHE  18           HE2      PHE  18  -3.225  -6.148  13.003
  160    HZ   PHE  18           HZ       PHE  18  -2.904  -7.372  15.107
  161    H    CYS  19           H        CYS  19   2.090  -3.239  10.756
  162    HA   CYS  19           HA       CYS  19   1.023  -5.348   8.912
  163   1HB   CYS  19          2HB       CYS  19  -0.423  -3.706   7.824
  164   2HB   CYS  19          1HB       CYS  19  -0.795  -3.888   9.503
  165   1HN   NH2  20          1HT       CYS  19   1.950  -1.942   8.142
  166   2HN   NH2  20          2HT       CYS  19   3.243  -2.383   7.142
  Start of MODEL    2
    1   1H    PHE   1          1H        PHE   1  -9.919  -6.161  18.792
    2   2H    PHE   1          2H        PHE   1  -9.691  -7.044  17.359
    3   3H    PHE   1          3H        PHE   1 -10.685  -5.668  17.356
    4    HA   PHE   1           HA       PHE   1  -8.896  -4.209  17.594
    5   1HB   PHE   1          2HB       PHE   1  -7.665  -5.565  19.325
    6   2HB   PHE   1          1HB       PHE   1  -7.220  -6.743  18.110
    7    HD1  PHE   1           HD1      PHE   1  -5.254  -6.405  16.791
    8    HD2  PHE   1           HD2      PHE   1  -6.839  -3.136  19.023
    9    HE1  PHE   1           HE1      PHE   1  -3.263  -5.074  16.261
   10    HE2  PHE   1           HE2      PHE   1  -4.843  -1.813  18.490
   11    HZ   PHE   1           HZ       PHE   1  -3.054  -2.776  17.109
   12    H    ASN   2           H        ASN   2  -7.467  -7.145  16.202
   13    HA   ASN   2           HA       ASN   2  -6.814  -7.547  13.912
   14   1HB   ASN   2          2HB       ASN   2  -9.317  -5.885  13.313
   15   2HB   ASN   2          1HB       ASN   2  -8.540  -7.063  12.272
   16   1HD2  ASN   2          1HD2      ASN   2  -9.034  -9.249  12.535
   17   2HD2  ASN   2          2HD2      ASN   2 -10.109  -9.832  13.712
   18    H    TRP   3           H        TRP   3  -7.395  -5.710  11.868
   19    HA   TRP   3           HA       TRP   3  -5.077  -3.912  12.087
   20   1HB   TRP   3          2HB       TRP   3  -6.655  -3.543   9.606
   21   2HB   TRP   3          1HB       TRP   3  -5.018  -4.149   9.775
   22    HD1  TRP   3           HD1      TRP   3  -4.686  -6.791   9.379
   23    HE1  TRP   3           HE1      TRP   3  -6.343  -8.630   9.083
   24    HE3  TRP   3           HE3      TRP   3  -8.960  -4.303  10.375
   25    HZ2  TRP   3           HZ2      TRP   3  -9.162  -9.121   9.244
   26    HZ3  TRP   3           HZ3      TRP   3 -11.136  -5.474  10.322
   27    HH2  TRP   3           HH2      TRP   3 -11.231  -7.881   9.767
   28    H    ARG   4           H        ARG   4  -8.140  -3.643  13.132
   29    HA   ARG   4           HA       ARG   4  -9.221  -1.286  12.230
   30   1HB   ARG   4          2HB       ARG   4  -9.073  -2.287  15.091
   31   2HB   ARG   4          1HB       ARG   4 -10.042  -0.929  14.634
   32   1HG   ARG   4          2HG       ARG   4 -10.407  -3.484  13.056
   33   2HG   ARG   4          1HG       ARG   4 -11.091  -3.397  14.661
   34   1HD   ARG   4          2HD       ARG   4 -12.709  -2.717  12.871
   35   2HD   ARG   4          1HD       ARG   4 -12.464  -1.454  14.054
   36    HE   ARG   4           HE       ARG   4 -11.449  -1.476  11.253
   37   1HH1  ARG   4          2HH1      ARG   4 -11.803   0.192  14.291
   38   2HH1  ARG   4          1HH1      ARG   4 -11.388   1.724  13.604
   39   1HH2  ARG   4          1HH2      ARG   4 -10.924   0.467  10.399
   40   2HH2  ARG   4          2HH2      ARG   4 -10.877   1.883  11.396
   41    H    CYS   5           H        CYS   5  -6.588  -1.684  14.414
   42    HA   CYS   5           HA       CYS   5  -6.267   1.153  15.050
   43   1HB   CYS   5          2HB       CYS   5  -5.594  -0.850  16.469
   44   2HB   CYS   5          1HB       CYS   5  -4.270  -1.105  15.377
   45    H    CYS   6           H        CYS   6  -4.560  -1.255  13.129
   46    HA   CYS   6           HA       CYS   6  -2.568   0.355  11.972
   47   1HB   CYS   6          2HB       CYS   6  -4.025  -1.983  10.717
   48   2HB   CYS   6          1HB       CYS   6  -2.506  -1.337  10.163
   49    H    LEU   7           H        LEU   7  -5.934   0.387  11.275
   50    HA   LEU   7           HA       LEU   7  -5.688   1.576   8.608
   51   1HB   LEU   7          2HB       LEU   7  -8.040   1.259  10.535
   52   2HB   LEU   7          1HB       LEU   7  -8.208   1.939   8.931
   53    HG   LEU   7           HG       LEU   7  -7.097  -0.868   9.448
   54   1HD1  LEU   7          1HD1      LEU   7  -9.902  -0.042   8.598
   55   2HD1  LEU   7          2HD1      LEU   7  -9.464  -0.740  10.150
   56   3HD1  LEU   7          3HD1      LEU   7  -9.304  -1.691   8.690
   57   1HD2  LEU   7          1HD2      LEU   7  -6.404   0.132   7.265
   58   2HD2  LEU   7          2HD2      LEU   7  -8.087   0.468   6.892
   59   3HD2  LEU   7          3HD2      LEU   7  -7.526  -1.189   7.028
   60    H    ILE   8           H        ILE   8  -5.898   2.602  11.876
   61    HA   ILE   8           HA       ILE   8  -6.446   5.412  11.326
   62    HB   ILE   8           HB       ILE   8  -5.397   4.094  13.893
   63   1HG1  ILE   8          2HG1      ILE   8  -8.279   4.798  13.127
   64   2HG1  ILE   8          1HG1      ILE   8  -7.633   3.176  13.023
   65   1HG2  ILE   8          1HG2      ILE   8  -5.102   6.580  13.781
   66   2HG2  ILE   8          2HG2      ILE   8  -6.284   6.157  14.993
   67   3HG2  ILE   8          3HG2      ILE   8  -6.813   6.766  13.437
   68   1HD1  ILE   8          1HD1      ILE   8  -7.842   4.817  15.584
   69   2HD1  ILE   8          2HD1      ILE   8  -7.156   3.204  15.467
   70   3HD1  ILE   8          3HD1      ILE   8  -8.859   3.462  15.132
   71    HA   PRO   9           HA       PRO   9  -2.157   6.251  10.384
   72   1HB   PRO   9          2HB       PRO   9  -2.137   8.992  10.628
   73   2HB   PRO   9          1HB       PRO   9  -2.849   8.152   9.253
   74   1HG   PRO   9          2HG       PRO   9  -4.212   9.368  11.637
   75   2HG   PRO   9          1HG       PRO   9  -4.792   9.287   9.984
   76   1HD   PRO   9          2HD       PRO   9  -5.666   7.636  11.981
   77   2HD   PRO   9          1HD       PRO   9  -5.737   7.212  10.268
   78    H    ALA  10           H        ALA  10  -3.658   7.676  13.152
   79    HA   ALA  10           HA       ALA  10  -1.366   8.415  14.667
   80   1HB   ALA  10          1HB       ALA  10  -2.911   8.398  16.619
   81   2HB   ALA  10          2HB       ALA  10  -4.106   7.542  15.658
   82   3HB   ALA  10          3HB       ALA  10  -3.641   9.181  15.228
   83    H    CYS  11           H        CYS  11  -2.603   5.339  13.955
   84    HA   CYS  11           HA       CYS  11  -1.179   4.005  16.212
   85   1HB   CYS  11          2HB       CYS  11  -3.524   3.307  15.679
   86   2HB   CYS  11          1HB       CYS  11  -2.971   2.888  14.084
   87    H    ARG  12           H        ARG  12  -1.609   3.817  12.754
   88    HA   ARG  12           HA       ARG  12   0.371   1.984  12.037
   89   1HB   ARG  12          2HB       ARG  12  -1.160   2.529  10.360
   90   2HB   ARG  12          1HB       ARG  12  -1.074   4.244  10.664
   91   1HG   ARG  12          2HG       ARG  12   1.359   2.855   9.505
   92   2HG   ARG  12          1HG       ARG  12  -0.001   3.205   8.459
   93   1HD   ARG  12          2HD       ARG  12   0.099   5.590   8.992
   94   2HD   ARG  12          1HD       ARG  12   1.344   5.335  10.194
   95    HE   ARG  12           HE       ARG  12   2.034   4.440   7.488
   96   1HH1  ARG  12          2HH1      ARG  12   2.115   6.971   9.871
   97   2HH1  ARG  12          1HH1      ARG  12   3.450   7.777   9.124
   98   1HH2  ARG  12          1HH2      ARG  12   3.728   5.469   6.533
   99   2HH2  ARG  12          2HH2      ARG  12   4.374   6.921   7.220
  100    H    ARG  13           H        ARG  13   0.685   5.382  12.685
  101    HA   ARG  13           HA       ARG  13   3.338   5.756  11.663
  102   1HB   ARG  13          2HB       ARG  13   3.397   7.780  13.080
  103   2HB   ARG  13          1HB       ARG  13   1.840   7.637  12.291
  104   1HG   ARG  13          2HG       ARG  13   0.909   6.602  14.392
  105   2HG   ARG  13          1HG       ARG  13   2.466   6.847  15.159
  106   1HD   ARG  13          2HD       ARG  13   2.292   9.295  14.803
  107   2HD   ARG  13          1HD       ARG  13   0.710   9.060  14.057
  108    HE   ARG  13           HE       ARG  13   0.911   7.844  16.696
  109   1HH1  ARG  13          2HH1      ARG  13   0.301  10.774  14.946
  110   2HH1  ARG  13          1HH1      ARG  13  -0.644  11.468  16.220
  111   1HH2  ARG  13          1HH2      ARG  13  -0.278   8.702  18.316
  112   2HH2  ARG  13          2HH2      ARG  13  -0.977  10.279  18.157
  113    H    ASN  14           H        ASN  14   2.138   4.467  14.625
  114    HA   ASN  14           HA       ASN  14   4.886   4.024  15.710
  115   1HB   ASN  14          2HB       ASN  14   2.182   3.837  17.117
  116   2HB   ASN  14          1HB       ASN  14   3.753   3.682  17.888
  117   1HD2  ASN  14          1HD2      ASN  14   5.190   5.804  16.768
  118   2HD2  ASN  14          2HD2      ASN  14   4.442   7.274  17.170
  119    H    HIS  15           H        HIS  15   2.506   2.483  14.005
  120    HA   HIS  15           HA       HIS  15   3.429  -0.223  14.875
  121   1HB   HIS  15          2HB       HIS  15   0.599   0.632  14.074
  122   2HB   HIS  15          1HB       HIS  15   1.075  -1.027  14.367
  123    HD1  HIS  15           HD1      HIS  15   1.487   2.141  16.388
  124    HD2  HIS  15           HD2      HIS  15   0.370  -1.749  16.894
  125    HE1  HIS  15           HE1      HIS  15   0.938   1.885  18.774
  126    H    LYS  16           H        LYS  16   4.586   1.327  12.832
  127    HA   LYS  16           HA       LYS  16   3.703   0.883  10.235
  128   1HB   LYS  16          2HB       LYS  16   6.513   1.054  11.385
  129   2HB   LYS  16          1HB       LYS  16   6.243   1.006   9.663
  130   1HG   LYS  16          2HG       LYS  16   5.137   3.113  11.589
  131   2HG   LYS  16          1HG       LYS  16   6.518   3.337  10.545
  132   1HD   LYS  16          2HD       LYS  16   3.658   2.848   9.565
  133   2HD   LYS  16          1HD       LYS  16   4.497   4.379   9.575
  134   1HE   LYS  16          2HE       LYS  16   6.182   3.509   7.986
  135   2HE   LYS  16          1HE       LYS  16   5.406   1.931   7.996
  136   1HZ   LYS  16          1HZ       LYS  16   4.712   4.259   6.548
  137   2HZ   LYS  16          2HZ       LYS  16   3.392   3.666   7.434
  138   3HZ   LYS  16          3HZ       LYS  16   4.200   2.654   6.339
  139    H    LYS  17           H        LYS  17   6.457  -0.962  11.443
  140    HA   LYS  17           HA       LYS  17   5.868  -3.160   9.656
  141   1HB   LYS  17          2HB       LYS  17   8.219  -2.536  10.317
  142   2HB   LYS  17          1HB       LYS  17   7.856  -2.915  11.985
  143   1HG   LYS  17          2HG       LYS  17   9.118  -4.750  10.923
  144   2HG   LYS  17          1HG       LYS  17   7.533  -5.306  11.402
  145   1HD   LYS  17          2HD       LYS  17   6.742  -4.971   9.016
  146   2HD   LYS  17          1HD       LYS  17   8.359  -4.450   8.579
  147   1HE   LYS  17          2HE       LYS  17   8.026  -6.836   8.026
  148   2HE   LYS  17          1HE       LYS  17   9.227  -6.696   9.302
  149   1HZ   LYS  17          1HZ       LYS  17   7.307  -8.377   9.520
  150   2HZ   LYS  17          2HZ       LYS  17   6.394  -7.026  10.001
  151   3HZ   LYS  17          3HZ       LYS  17   7.781  -7.468  10.876
  152    H    PHE  18           H        PHE  18   4.984  -2.341  12.811
  153    HA   PHE  18           HA       PHE  18   4.444  -4.849  14.017
  154   1HB   PHE  18          2HB       PHE  18   4.275  -2.490  15.016
  155   2HB   PHE  18          1HB       PHE  18   2.730  -2.359  14.220
  156    HD1  PHE  18           HD1      PHE  18   0.789  -3.681  14.925
  157    HD2  PHE  18           HD2      PHE  18   4.521  -4.043  16.954
  158    HE1  PHE  18           HE1      PHE  18  -0.326  -4.846  16.772
  159    HE2  PHE  18           HE2      PHE  18   3.401  -5.209  18.799
  160    HZ   PHE  18           HZ       PHE  18   0.976  -5.613  18.712
  161    H    CYS  19           H        CYS  19   2.895  -2.949  11.685
  162    HA   CYS  19           HA       CYS  19   0.573  -4.807  11.351
  163   1HB   CYS  19          2HB       CYS  19   1.089  -2.060  10.176
  164   2HB   CYS  19          1HB       CYS  19  -0.361  -2.996   9.940
  165   1HN   NH2  20          1HT       CYS  19   0.076  -5.573   9.138
  166   2HN   NH2  20          2HT       CYS  19   1.319  -5.737   7.995
  Start of MODEL    3
    1   1H    PHE   1          1H        PHE   1  -8.713  -5.215  18.477
    2   2H    PHE   1          2H        PHE   1  -9.388  -3.694  18.138
    3   3H    PHE   1          3H        PHE   1  -8.633  -3.973  19.634
    4    HA   PHE   1           HA       PHE   1  -7.334  -2.671  17.914
    5   1HB   PHE   1          2HB       PHE   1  -6.268  -3.693  19.947
    6   2HB   PHE   1          1HB       PHE   1  -6.186  -5.251  19.148
    7    HD1  PHE   1           HD1      PHE   1  -4.291  -5.784  17.802
    8    HD2  PHE   1           HD2      PHE   1  -5.002  -1.713  18.849
    9    HE1  PHE   1           HE1      PHE   1  -2.125  -5.156  16.850
   10    HE2  PHE   1           HE2      PHE   1  -2.830  -1.094  17.894
   11    HZ   PHE   1           HZ       PHE   1  -1.386  -2.813  16.891
   12    H    ASN   2           H        ASN   2  -6.450  -6.068  17.393
   13    HA   ASN   2           HA       ASN   2  -6.014  -7.180  15.293
   14   1HB   ASN   2          2HB       ASN   2  -8.410  -5.535  14.356
   15   2HB   ASN   2          1HB       ASN   2  -7.856  -7.084  13.747
   16   1HD2  ASN   2          1HD2      ASN   2  -8.513  -8.977  14.807
   17   2HD2  ASN   2          2HD2      ASN   2  -9.530  -8.977  16.167
   18    H    TRP   3           H        TRP   3  -6.745  -5.897  12.863
   19    HA   TRP   3           HA       TRP   3  -4.279  -4.361  12.313
   20   1HB   TRP   3          2HB       TRP   3  -6.060  -4.633   9.966
   21   2HB   TRP   3          1HB       TRP   3  -4.467  -5.326  10.204
   22    HD1  TRP   3           HD1      TRP   3  -4.385  -7.983  10.573
   23    HE1  TRP   3           HE1      TRP   3  -6.193  -9.644  10.999
   24    HE3  TRP   3           HE3      TRP   3  -8.320  -4.883  11.158
   25    HZ2  TRP   3           HZ2      TRP   3  -9.005  -9.772  11.557
   26    HZ3  TRP   3           HZ3      TRP   3 -10.567  -5.783  11.661
   27    HH2  TRP   3           HH2      TRP   3 -10.902  -8.224  11.867
   28    H    ARG   4           H        ARG   4  -7.165  -3.569  13.491
   29    HA   ARG   4           HA       ARG   4  -8.199  -1.445  11.998
   30   1HB   ARG   4          2HB       ARG   4  -7.952  -1.599  15.019
   31   2HB   ARG   4          1HB       ARG   4  -8.959  -0.489  14.145
   32   1HG   ARG   4          2HG       ARG   4 -10.308  -2.293  13.196
   33   2HG   ARG   4          1HG       ARG   4  -9.214  -3.517  13.806
   34   1HD   ARG   4          2HD       ARG   4 -11.219  -3.353  15.250
   35   2HD   ARG   4          1HD       ARG   4  -9.791  -2.852  16.149
   36    HE   ARG   4           HE       ARG   4 -11.064  -0.599  14.857
   37   1HH1  ARG   4          2HH1      ARG   4 -11.244  -2.769  17.550
   38   2HH1  ARG   4          1HH1      ARG   4 -12.089  -1.639  18.553
   39   1HH2  ARG   4          1HH2      ARG   4 -12.134   0.852  16.108
   40   2HH2  ARG   4          2HH2      ARG   4 -12.600   0.442  17.725
   41    H    CYS   5           H        CYS   5  -5.549  -1.607  14.164
   42    HA   CYS   5           HA       CYS   5  -4.858   1.148  14.386
   43   1HB   CYS   5          2HB       CYS   5  -4.085  -0.873  15.734
   44   2HB   CYS   5          1HB       CYS   5  -2.945  -1.182  14.465
   45    H    CYS   6           H        CYS   6  -3.730  -1.371  12.212
   46    HA   CYS   6           HA       CYS   6  -1.785   0.110  10.717
   47   1HB   CYS   6          2HB       CYS   6  -1.993  -2.282  10.407
   48   2HB   CYS   6          1HB       CYS   6  -3.584  -2.086   9.694
   49    H    LEU   7           H        LEU   7  -5.270   0.021  10.545
   50    HA   LEU   7           HA       LEU   7  -5.489   1.476   8.022
   51   1HB   LEU   7          2HB       LEU   7  -7.603   0.912  10.139
   52   2HB   LEU   7          1HB       LEU   7  -7.915   1.454   8.505
   53    HG   LEU   7           HG       LEU   7  -6.555  -1.199   9.199
   54   1HD1  LEU   7          1HD1      LEU   7  -9.412  -0.636   8.298
   55   2HD1  LEU   7          2HD1      LEU   7  -8.937  -1.162   9.905
   56   3HD1  LEU   7          3HD1      LEU   7  -8.711  -2.230   8.534
   57   1HD2  LEU   7          1HD2      LEU   7  -5.934  -0.323   6.941
   58   2HD2  LEU   7          2HD2      LEU   7  -7.636  -0.138   6.547
   59   3HD2  LEU   7          3HD2      LEU   7  -6.959  -1.737   6.808
   60    H    ILE   8           H        ILE   8  -5.776   2.266  11.435
   61    HA   ILE   8           HA       ILE   8  -6.531   5.044  10.908
   62    HB   ILE   8           HB       ILE   8  -5.560   3.735  13.503
   63   1HG1  ILE   8          2HG1      ILE   8  -8.423   4.410  12.677
   64   2HG1  ILE   8          1HG1      ILE   8  -7.752   2.816  12.439
   65   1HG2  ILE   8          1HG2      ILE   8  -5.340   6.256  13.435
   66   2HG2  ILE   8          2HG2      ILE   8  -6.576   5.777  14.573
   67   3HG2  ILE   8          3HG2      ILE   8  -7.033   6.376  12.993
   68   1HD1  ILE   8          1HD1      ILE   8  -8.015   4.233  15.129
   69   2HD1  ILE   8          2HD1      ILE   8  -7.301   2.645  14.890
   70   3HD1  ILE   8          3HD1      ILE   8  -9.006   2.903  14.558
   71    HA   PRO   9           HA       PRO   9  -2.270   6.167  10.239
   72   1HB   PRO   9          2HB       PRO   9  -2.474   8.914  10.378
   73   2HB   PRO   9          1HB       PRO   9  -3.025   7.979   8.991
   74   1HG   PRO   9          2HG       PRO   9  -4.645   9.170  11.227
   75   2HG   PRO   9          1HG       PRO   9  -5.108   8.967   9.550
   76   1HD   PRO   9          2HD       PRO   9  -5.961   7.335  11.565
   77   2HD   PRO   9          1HD       PRO   9  -5.915   6.863   9.863
   78    H    ALA  10           H        ALA  10  -3.997   7.940  12.682
   79    HA   ALA  10           HA       ALA  10  -1.888   8.683  14.399
   80   1HB   ALA  10          1HB       ALA  10  -3.674   8.964  16.114
   81   2HB   ALA  10          2HB       ALA  10  -4.782   8.063  15.091
   82   3HB   ALA  10          3HB       ALA  10  -4.156   9.614  14.555
   83    H    CYS  11           H        CYS  11  -3.087   5.548  13.889
   84    HA   CYS  11           HA       CYS  11  -1.933   4.563  16.475
   85   1HB   CYS  11          2HB       CYS  11  -4.355   4.047  15.810
   86   2HB   CYS  11          1HB       CYS  11  -3.688   3.022  14.581
   87    H    ARG  12           H        ARG  12  -2.066   4.121  13.042
   88    HA   ARG  12           HA       ARG  12  -0.314   1.912  12.742
   89   1HB   ARG  12          2HB       ARG  12  -1.742   2.738  10.933
   90   2HB   ARG  12          1HB       ARG  12  -0.866   4.241  10.858
   91   1HG   ARG  12          2HG       ARG  12   0.674   1.655  10.504
   92   2HG   ARG  12          1HG       ARG  12  -0.391   2.136   9.205
   93   1HD   ARG  12          2HD       ARG  12   1.781   3.989  10.308
   94   2HD   ARG  12          1HD       ARG  12   1.990   2.926   8.931
   95    HE   ARG  12           HE       ARG  12   0.402   4.201   7.681
   96   1HH1  ARG  12          2HH1      ARG  12   0.943   5.494  10.867
   97   2HH1  ARG  12          1HH1      ARG  12   0.239   7.022  10.461
   98   1HH2  ARG  12          1HH2      ARG  12  -0.483   6.122   7.184
   99   2HH2  ARG  12          2HH2      ARG  12  -0.576   7.384   8.368
  100    H    ARG  13           H        ARG  13   0.384   5.253  13.395
  101    HA   ARG  13           HA       ARG  13   3.190   5.168  12.654
  102   1HB   ARG  13          2HB       ARG  13   1.689   7.029  14.545
  103   2HB   ARG  13          1HB       ARG  13   3.372   7.245  14.099
  104   1HG   ARG  13          2HG       ARG  13   2.686   7.372  11.686
  105   2HG   ARG  13          1HG       ARG  13   1.014   7.229  12.190
  106   1HD   ARG  13          2HD       ARG  13   1.553   9.594  11.831
  107   2HD   ARG  13          1HD       ARG  13   1.237   9.319  13.543
  108    HE   ARG  13           HE       ARG  13   4.012   8.964  13.144
  109   1HH1  ARG  13          2HH1      ARG  13   1.622  11.462  12.900
  110   2HH1  ARG  13          1HH1      ARG  13   2.748  12.728  13.254
  111   1HH2  ARG  13          1HH2      ARG  13   5.451  10.548  13.595
  112   2HH2  ARG  13          2HH2      ARG  13   4.949  12.205  13.655
  113    H    ASN  14           H        ASN  14   1.388   4.360  15.494
  114    HA   ASN  14           HA       ASN  14   3.501   4.286  17.410
  115   1HB   ASN  14          2HB       ASN  14   0.890   2.710  17.347
  116   2HB   ASN  14          1HB       ASN  14   1.935   2.870  18.745
  117   1HD2  ASN  14          1HD2      ASN  14   0.309   5.021  16.334
  118   2HD2  ASN  14          2HD2      ASN  14  -0.096   6.213  17.472
  119    H    HIS  15           H        HIS  15   2.775   2.122  14.851
  120    HA   HIS  15           HA       HIS  15   4.918   0.299  15.822
  121   1HB   HIS  15          2HB       HIS  15   3.545  -1.706  15.211
  122   2HB   HIS  15          1HB       HIS  15   2.803  -0.787  16.509
  123    HD1  HIS  15           HD1      HIS  15   2.316  -1.548  12.904
  124    HD2  HIS  15           HD2      HIS  15   0.359   0.451  15.872
  125    HE1  HIS  15           HE1      HIS  15   0.066  -1.042  12.028
  126    H    LYS  16           H        LYS  16   2.695   0.804  13.143
  127    HA   LYS  16           HA       LYS  16   2.952   0.895  10.851
  128   1HB   LYS  16          2HB       LYS  16   4.754   2.564  11.579
  129   2HB   LYS  16          1HB       LYS  16   5.920   1.263  11.425
  130   1HG   LYS  16          2HG       LYS  16   5.431   1.024   9.021
  131   2HG   LYS  16          1HG       LYS  16   4.155   2.216   9.137
  132   1HD   LYS  16          2HD       LYS  16   6.169   3.256   8.212
  133   2HD   LYS  16          1HD       LYS  16   5.846   3.938   9.791
  134   1HE   LYS  16          2HE       LYS  16   8.267   3.411   9.489
  135   2HE   LYS  16          1HE       LYS  16   7.594   2.460  10.800
  136   1HZ   LYS  16          1HZ       LYS  16   7.482   0.569   9.435
  137   2HZ   LYS  16          2HZ       LYS  16   9.017   1.245   9.170
  138   3HZ   LYS  16          3HZ       LYS  16   7.783   1.461   8.022
  139    H    LYS  17           H        LYS  17   4.341  -1.483  12.707
  140    HA   LYS  17           HA       LYS  17   5.210  -3.128  10.398
  141   1HB   LYS  17          2HB       LYS  17   5.618  -3.502  13.394
  142   2HB   LYS  17          1HB       LYS  17   6.268  -4.577  12.170
  143   1HG   LYS  17          2HG       LYS  17   7.625  -2.762  11.211
  144   2HG   LYS  17          1HG       LYS  17   6.952  -1.603  12.332
  145   1HD   LYS  17          2HD       LYS  17   8.580  -4.050  13.149
  146   2HD   LYS  17          1HD       LYS  17   9.222  -2.428  13.010
  147   1HE   LYS  17          2HE       LYS  17   7.631  -1.643  14.775
  148   2HE   LYS  17          1HE       LYS  17   7.013  -3.280  14.944
  149   1HZ   LYS  17          1HZ       LYS  17   9.171  -4.033  15.595
  150   2HZ   LYS  17          2HZ       LYS  17   8.679  -2.751  16.595
  151   3HZ   LYS  17          3HZ       LYS  17   9.827  -2.482  15.372
  152    H    PHE  18           H        PHE  18   2.715  -2.938  12.767
  153    HA   PHE  18           HA       PHE  18   1.869  -5.657  12.779
  154   1HB   PHE  18          2HB       PHE  18   0.967  -3.682  14.174
  155   2HB   PHE  18          1HB       PHE  18  -0.001  -3.266  12.781
  156    HD1  PHE  18           HD1      PHE  18  -1.819  -4.733  11.979
  157    HD2  PHE  18           HD2      PHE  18   0.458  -5.785  15.426
  158    HE1  PHE  18           HE1      PHE  18  -3.473  -6.449  12.556
  159    HE2  PHE  18           HE2      PHE  18  -1.204  -7.495  15.996
  160    HZ   PHE  18           HZ       PHE  18  -3.174  -7.829  14.562
  161    H    CYS  19           H        CYS  19   1.590  -3.078  10.612
  162    HA   CYS  19           HA       CYS  19  -0.459  -4.019   8.836
  163   1HB   CYS  19          2HB       CYS  19   1.951  -2.273   8.274
  164   2HB   CYS  19          1HB       CYS  19   0.668  -2.556   7.128
  165   1HN   NH2  20          1HT       CYS  19   3.102  -4.483   8.720
  166   2HN   NH2  20          2HT       CYS  19   3.059  -5.775   7.619
  Start of MODEL    4
    1   1H    PHE   1          1H        PHE   1  -8.448  -2.710  19.271
    2   2H    PHE   1          2H        PHE   1  -8.754  -4.060  18.286
    3   3H    PHE   1          3H        PHE   1  -9.176  -2.506  17.750
    4    HA   PHE   1           HA       PHE   1  -7.001  -1.880  17.367
    5   1HB   PHE   1          2HB       PHE   1  -6.086  -2.767  19.560
    6   2HB   PHE   1          1HB       PHE   1  -6.237  -4.409  18.975
    7    HD1  PHE   1           HD1      PHE   1  -4.623  -5.309  17.347
    8    HD2  PHE   1           HD2      PHE   1  -4.331  -1.260  18.651
    9    HE1  PHE   1           HE1      PHE   1  -2.391  -5.159  16.369
   10    HE2  PHE   1           HE2      PHE   1  -2.087  -1.121  17.676
   11    HZ   PHE   1           HZ       PHE   1  -1.107  -3.063  16.535
   12    H    ASN   2           H        ASN   2  -6.774  -5.419  17.391
   13    HA   ASN   2           HA       ASN   2  -6.485  -6.884  15.477
   14   1HB   ASN   2          2HB       ASN   2  -8.687  -5.064  14.389
   15   2HB   ASN   2          1HB       ASN   2  -8.346  -6.723  13.918
   16   1HD2  ASN   2          1HD2      ASN   2  -9.356  -4.780  16.751
   17   2HD2  ASN   2          2HD2      ASN   2 -10.239  -6.034  17.481
   18    H    TRP   3           H        TRP   3  -7.124  -5.834  12.885
   19    HA   TRP   3           HA       TRP   3  -4.477  -4.691  12.187
   20   1HB   TRP   3          2HB       TRP   3  -6.347  -5.067   9.891
   21   2HB   TRP   3          1HB       TRP   3  -4.788  -5.829  10.152
   22    HD1  TRP   3           HD1      TRP   3  -4.829  -8.414  10.950
   23    HE1  TRP   3           HE1      TRP   3  -6.733  -9.900  11.565
   24    HE3  TRP   3           HE3      TRP   3  -8.593  -5.058  11.012
   25    HZ2  TRP   3           HZ2      TRP   3  -9.554  -9.798  12.075
   26    HZ3  TRP   3           HZ3      TRP   3 -10.894  -5.757  11.584
   27    HH2  TRP   3           HH2      TRP   3 -11.368  -8.123  12.122
   28    H    ARG   4           H        ARG   4  -7.518  -3.684  13.006
   29    HA   ARG   4           HA       ARG   4  -8.169  -1.552  11.338
   30   1HB   ARG   4          2HB       ARG   4  -9.441  -2.462  13.389
   31   2HB   ARG   4          1HB       ARG   4  -8.413  -1.447  14.356
   32   1HG   ARG   4          2HG       ARG   4 -10.474  -0.237  13.978
   33   2HG   ARG   4          1HG       ARG   4  -9.132   0.592  13.224
   34   1HD   ARG   4          2HD       ARG   4  -9.817  -0.371  10.989
   35   2HD   ARG   4          1HD       ARG   4 -11.149  -1.197  11.785
   36    HE   ARG   4           HE       ARG   4 -12.303   0.837  11.866
   37   1HH1  ARG   4          2HH1      ARG   4  -8.938   1.389  11.254
   38   2HH1  ARG   4          1HH1      ARG   4  -9.154   3.078  10.941
   39   1HH2  ARG   4          1HH2      ARG   4 -12.599   2.973  11.485
   40   2HH2  ARG   4          2HH2      ARG   4 -11.256   3.989  11.079
   41    H    CYS   5           H        CYS   5  -5.885  -1.859  13.821
   42    HA   CYS   5           HA       CYS   5  -5.085   0.793  14.363
   43   1HB   CYS   5          2HB       CYS   5  -4.283  -1.235  15.520
   44   2HB   CYS   5          1HB       CYS   5  -3.340  -1.661  14.130
   45    H    CYS   6           H        CYS   6  -3.937  -1.422  11.949
   46    HA   CYS   6           HA       CYS   6  -1.966   0.150  10.658
   47   1HB   CYS   6          2HB       CYS   6  -2.515  -2.292  10.255
   48   2HB   CYS   6          1HB       CYS   6  -3.843  -1.772   9.256
   49    H    LEU   7           H        LEU   7  -5.443   0.133  10.341
   50    HA   LEU   7           HA       LEU   7  -5.535   1.953   8.056
   51   1HB   LEU   7          2HB       LEU   7  -7.700   0.921   9.944
   52   2HB   LEU   7          1HB       LEU   7  -8.040   2.020   8.640
   53    HG   LEU   7           HG       LEU   7  -8.605  -0.292   8.058
   54   1HD1  LEU   7          1HD1      LEU   7  -7.398  -0.430   5.884
   55   2HD1  LEU   7          2HD1      LEU   7  -6.218   0.736   6.448
   56   3HD1  LEU   7          3HD1      LEU   7  -7.893   1.218   6.225
   57   1HD2  LEU   7          1HD2      LEU   7  -6.969  -1.504   9.402
   58   2HD2  LEU   7          2HD2      LEU   7  -5.660  -0.963   8.358
   59   3HD2  LEU   7          3HD2      LEU   7  -6.902  -2.023   7.730
   60    H    ILE   8           H        ILE   8  -5.748   2.222  11.540
   61    HA   ILE   8           HA       ILE   8  -6.612   5.010  11.494
   62    HB   ILE   8           HB       ILE   8  -5.461   3.335  13.785
   63   1HG1  ILE   8          2HG1      ILE   8  -8.367   4.066  13.176
   64   2HG1  ILE   8          1HG1      ILE   8  -7.660   2.529  12.745
   65   1HG2  ILE   8          1HG2      ILE   8  -5.261   5.828  14.131
   66   2HG2  ILE   8          2HG2      ILE   8  -6.432   5.151  15.237
   67   3HG2  ILE   8          3HG2      ILE   8  -6.978   5.995  13.802
   68   1HD1  ILE   8          1HD1      ILE   8  -7.161   2.067  15.134
   69   2HD1  ILE   8          2HD1      ILE   8  -8.875   2.340  14.875
   70   3HD1  ILE   8          3HD1      ILE   8  -7.888   3.602  15.586
   71    HA   PRO   9           HA       PRO   9  -2.535   6.340  10.620
   72   1HB   PRO   9          2HB       PRO   9  -2.785   9.062  10.945
   73   2HB   PRO   9          1HB       PRO   9  -3.550   8.189   9.620
   74   1HG   PRO   9          2HG       PRO   9  -4.782   9.226  12.153
   75   2HG   PRO   9          1HG       PRO   9  -5.534   9.046  10.579
   76   1HD   PRO   9          2HD       PRO   9  -5.881   7.319  12.695
   77   2HD   PRO   9          1HD       PRO   9  -6.280   6.969  11.004
   78    H    ALA  10           H        ALA  10  -3.914   7.489  13.587
   79    HA   ALA  10           HA       ALA  10  -1.410   8.249  14.839
   80   1HB   ALA  10          1HB       ALA  10  -4.130   7.635  16.063
   81   2HB   ALA  10          2HB       ALA  10  -3.575   9.219  15.542
   82   3HB   ALA  10          3HB       ALA  10  -2.799   8.421  16.900
   83    H    CYS  11           H        CYS  11  -3.138   5.289  14.463
   84    HA   CYS  11           HA       CYS  11  -1.656   3.922  16.627
   85   1HB   CYS  11          2HB       CYS  11  -4.107   3.505  15.966
   86   2HB   CYS  11          1HB       CYS  11  -3.475   2.640  14.605
   87    H    ARG  12           H        ARG  12  -1.955   3.791  13.102
   88    HA   ARG  12           HA       ARG  12   0.002   1.713  12.715
   89   1HB   ARG  12          2HB       ARG  12   0.020   2.426  10.343
   90   2HB   ARG  12          1HB       ARG  12  -1.617   2.389  10.952
   91   1HG   ARG  12          2HG       ARG  12  -1.665   4.419   9.872
   92   2HG   ARG  12          1HG       ARG  12  -1.197   4.926  11.479
   93   1HD   ARG  12          2HD       ARG  12   1.242   4.943  10.717
   94   2HD   ARG  12          1HD       ARG  12   0.669   4.591   9.100
   95    HE   ARG  12           HE       ARG  12   0.487   7.135  10.494
   96   1HH1  ARG  12          2HH1      ARG  12  -0.939   5.128   8.051
   97   2HH1  ARG  12          1HH1      ARG  12  -1.642   6.466   7.208
   98   1HH2  ARG  12          1HH2      ARG  12  -0.394   8.834   9.446
   99   2HH2  ARG  12          2HH2      ARG  12  -1.329   8.595   8.007
  100    H    ARG  13           H        ARG  13   0.250   4.995  13.554
  101    HA   ARG  13           HA       ARG  13   2.870   5.626  12.564
  102   1HB   ARG  13          2HB       ARG  13   1.271   7.337  13.422
  103   2HB   ARG  13          1HB       ARG  13   1.362   6.641  15.026
  104   1HG   ARG  13          2HG       ARG  13   3.805   7.201  15.110
  105   2HG   ARG  13          1HG       ARG  13   3.688   7.899  13.501
  106   1HD   ARG  13          2HD       ARG  13   2.033   9.560  14.345
  107   2HD   ARG  13          1HD       ARG  13   2.139   8.845  15.955
  108    HE   ARG  13           HE       ARG  13   4.769   9.515  15.098
  109   1HH1  ARG  13          2HH1      ARG  13   1.774  11.001  16.010
  110   2HH1  ARG  13          1HH1      ARG  13   2.536  12.434  16.611
  111   1HH2  ARG  13          1HH2      ARG  13   5.757  11.321  15.854
  112   2HH2  ARG  13          2HH2      ARG  13   4.825  12.619  16.522
  113    H    ASN  14           H        ASN  14   1.588   4.144  15.426
  114    HA   ASN  14           HA       ASN  14   4.271   3.498  16.530
  115   1HB   ASN  14          2HB       ASN  14   1.485   3.158  17.728
  116   2HB   ASN  14          1HB       ASN  14   3.001   2.894  18.579
  117   1HD2  ASN  14          1HD2      ASN  14   1.183   5.441  16.819
  118   2HD2  ASN  14          2HD2      ASN  14   1.821   6.736  17.713
  119    H    HIS  15           H        HIS  15   2.100   2.197  14.449
  120    HA   HIS  15           HA       HIS  15   3.099  -0.564  14.876
  121   1HB   HIS  15          2HB       HIS  15   0.172   0.263  14.574
  122   2HB   HIS  15          1HB       HIS  15   0.703  -1.401  14.435
  123    HD1  HIS  15           HD1      HIS  15   1.749  -2.399  16.653
  124    HD2  HIS  15           HD2      HIS  15  -0.076   1.209  17.208
  125    HE1  HIS  15           HE1      HIS  15   1.429  -2.148  19.085
  126    H    LYS  16           H        LYS  16   4.140   1.115  13.089
  127    HA   LYS  16           HA       LYS  16   2.979   1.227  10.539
  128   1HB   LYS  16          2HB       LYS  16   4.883   2.635  11.236
  129   2HB   LYS  16          1HB       LYS  16   5.912   1.232  11.389
  130   1HG   LYS  16          2HG       LYS  16   6.400   2.383   9.282
  131   2HG   LYS  16          1HG       LYS  16   5.701   0.821   8.921
  132   1HD   LYS  16          2HD       LYS  16   3.477   1.897   8.548
  133   2HD   LYS  16          1HD       LYS  16   4.165   3.461   8.951
  134   1HE   LYS  16          2HE       LYS  16   5.730   3.253   7.019
  135   2HE   LYS  16          1HE       LYS  16   5.038   1.683   6.631
  136   1HZ   LYS  16          1HZ       LYS  16   4.010   3.283   5.268
  137   2HZ   LYS  16          2HZ       LYS  16   3.678   4.307   6.582
  138   3HZ   LYS  16          3HZ       LYS  16   2.863   2.825   6.434
  139    H    LYS  17           H        LYS  17   5.873  -0.693  11.143
  140    HA   LYS  17           HA       LYS  17   5.160  -2.617   9.078
  141   1HB   LYS  17          2HB       LYS  17   7.359  -2.791  11.205
  142   2HB   LYS  17          1HB       LYS  17   7.300  -3.719   9.722
  143   1HG   LYS  17          2HG       LYS  17   7.599  -0.684   9.901
  144   2HG   LYS  17          1HG       LYS  17   8.881  -1.818   9.539
  145   1HD   LYS  17          2HD       LYS  17   7.688  -2.528   7.463
  146   2HD   LYS  17          1HD       LYS  17   6.392  -1.397   7.815
  147   1HE   LYS  17          2HE       LYS  17   7.954  -0.398   6.199
  148   2HE   LYS  17          1HE       LYS  17   8.004   0.499   7.708
  149   1HZ   LYS  17          1HZ       LYS  17   9.893  -1.693   7.127
  150   2HZ   LYS  17          2HZ       LYS  17  10.021  -0.469   8.297
  151   3HZ   LYS  17          3HZ       LYS  17  10.190  -0.089   6.651
  152    H    PHE  18           H        PHE  18   4.448  -2.237  12.304
  153    HA   PHE  18           HA       PHE  18   4.180  -4.892  13.284
  154   1HB   PHE  18          2HB       PHE  18   3.990  -2.629  14.502
  155   2HB   PHE  18          1HB       PHE  18   2.360  -2.558  13.893
  156    HD1  PHE  18           HD1      PHE  18   4.545  -4.208  16.315
  157    HD2  PHE  18           HD2      PHE  18   0.626  -4.171  14.634
  158    HE1  PHE  18           HE1      PHE  18   3.732  -5.591  18.169
  159    HE2  PHE  18           HE2      PHE  18  -0.177  -5.556  16.492
  160    HZ   PHE  18           HZ       PHE  18   1.370  -6.268  18.262
  161    H    CYS  19           H        CYS  19   2.349  -2.882  11.264
  162    HA   CYS  19           HA       CYS  19  -0.224  -3.936  11.151
  163   1HB   CYS  19          2HB       CYS  19   0.472  -2.007   9.826
  164   2HB   CYS  19          1HB       CYS  19   1.492  -3.003   8.827
  165   1HN   NH2  20          1HT       CYS  19  -1.220  -5.774  10.256
  166   2HN   NH2  20          2HT       CYS  19  -0.374  -7.043   9.510
  Start of MODEL    5
    1   1H    PHE   1          1H        PHE   1  -8.023  -5.267  19.223
    2   2H    PHE   1          2H        PHE   1  -7.849  -6.309  17.892
    3   3H    PHE   1          3H        PHE   1  -8.974  -5.038  17.834
    4    HA   PHE   1           HA       PHE   1  -7.362  -3.417  17.624
    5   1HB   PHE   1          2HB       PHE   1  -5.864  -4.319  19.462
    6   2HB   PHE   1          1HB       PHE   1  -5.330  -5.607  18.401
    7    HD1  PHE   1           HD1      PHE   1  -5.249  -1.944  18.961
    8    HD2  PHE   1           HD2      PHE   1  -3.684  -5.165  16.652
    9    HE1  PHE   1           HE1      PHE   1  -3.512  -0.466  18.064
   10    HE2  PHE   1           HE2      PHE   1  -1.953  -3.675  15.756
   11    HZ   PHE   1           HZ       PHE   1  -1.861  -1.327  16.463
   12    H    ASN   2           H        ASN   2  -5.689  -6.399  16.650
   13    HA   ASN   2           HA       ASN   2  -5.087  -7.090  14.405
   14   1HB   ASN   2          2HB       ASN   2  -7.892  -6.052  13.805
   15   2HB   ASN   2          1HB       ASN   2  -7.001  -7.301  12.951
   16   1HD2  ASN   2          1HD2      ASN   2  -8.569  -6.580  16.065
   17   2HD2  ASN   2          2HD2      ASN   2  -8.808  -8.204  16.500
   18    H    TRP   3           H        TRP   3  -6.314  -5.764  12.191
   19    HA   TRP   3           HA       TRP   3  -4.386  -3.546  11.831
   20   1HB   TRP   3          2HB       TRP   3  -6.099  -4.032   9.458
   21   2HB   TRP   3          1HB       TRP   3  -4.367  -4.265   9.602
   22    HD1  TRP   3           HD1      TRP   3  -3.532  -6.812   9.604
   23    HE1  TRP   3           HE1      TRP   3  -4.776  -8.960   9.825
   24    HE3  TRP   3           HE3      TRP   3  -8.149  -5.064  10.645
   25    HZ2  TRP   3           HZ2      TRP   3  -7.404  -9.953  10.395
   26    HZ3  TRP   3           HZ3      TRP   3 -10.022  -6.624  11.048
   27    HH2  TRP   3           HH2      TRP   3  -9.643  -9.065  10.930
   28    H    ARG   4           H        ARG   4  -7.287  -3.762  13.141
   29    HA   ARG   4           HA       ARG   4  -8.973  -1.864  11.934
   30   1HB   ARG   4          2HB       ARG   4  -8.567  -2.322  14.911
   31   2HB   ARG   4          1HB       ARG   4  -9.912  -1.505  14.181
   32   1HG   ARG   4          2HG       ARG   4 -10.709  -3.502  13.081
   33   2HG   ARG   4          1HG       ARG   4  -9.222  -4.372  13.399
   34   1HD   ARG   4          2HD       ARG   4 -11.028  -5.086  14.956
   35   2HD   ARG   4          1HD       ARG   4  -9.706  -4.329  15.835
   36    HE   ARG   4           HE       ARG   4 -11.865  -2.501  15.047
   37   1HH1  ARG   4          2HH1      ARG   4 -10.578  -4.629  17.472
   38   2HH1  ARG   4          1HH1      ARG   4 -11.463  -3.875  18.754
   39   1HH2  ARG   4          1HH2      ARG   4 -12.989  -1.542  16.659
   40   2HH2  ARG   4          2HH2      ARG   4 -12.846  -2.105  18.291
   41    H    CYS   5           H        CYS   5  -6.332  -1.565  14.077
   42    HA   CYS   5           HA       CYS   5  -6.425   1.361  14.308
   43   1HB   CYS   5          2HB       CYS   5  -5.453  -0.743  15.847
   44   2HB   CYS   5          1HB       CYS   5  -3.997  -0.039  15.212
   45    H    CYS   6           H        CYS   6  -4.838  -1.051  12.401
   46    HA   CYS   6           HA       CYS   6  -2.601   0.453  11.427
   47   1HB   CYS   6          2HB       CYS   6  -2.960  -2.005  11.140
   48   2HB   CYS   6          1HB       CYS   6  -4.152  -1.658   9.917
   49    H    LEU   7           H        LEU   7  -5.960   0.561  10.785
   50    HA   LEU   7           HA       LEU   7  -5.808   1.932   8.204
   51   1HB   LEU   7          2HB       LEU   7  -8.117   1.602  10.182
   52   2HB   LEU   7          1HB       LEU   7  -8.287   2.225   8.554
   53    HG   LEU   7           HG       LEU   7  -7.230  -0.573   9.185
   54   1HD1  LEU   7          1HD1      LEU   7  -9.471  -1.364   8.464
   55   2HD1  LEU   7          2HD1      LEU   7 -10.011   0.298   8.285
   56   3HD1  LEU   7          3HD1      LEU   7  -9.607  -0.331   9.875
   57   1HD2  LEU   7          1HD2      LEU   7  -6.506   0.327   6.969
   58   2HD2  LEU   7          2HD2      LEU   7  -8.179   0.680   6.570
   59   3HD2  LEU   7          3HD2      LEU   7  -7.652  -0.982   6.776
   60    H    ILE   8           H        ILE   8  -6.049   2.704  11.582
   61    HA   ILE   8           HA       ILE   8  -6.539   5.550  11.163
   62    HB   ILE   8           HB       ILE   8  -5.560   4.159  13.722
   63   1HG1  ILE   8          2HG1      ILE   8  -8.436   4.804  12.872
   64   2HG1  ILE   8          1HG1      ILE   8  -7.745   3.200  12.755
   65   1HG2  ILE   8          1HG2      ILE   8  -5.295   6.646  13.624
   66   2HG2  ILE   8          2HG2      ILE   8  -6.532   6.225  14.784
   67   3HG2  ILE   8          3HG2      ILE   8  -6.987   6.817  13.197
   68   1HD1  ILE   8          1HD1      ILE   8  -7.350   3.170  15.202
   69   2HD1  ILE   8          2HD1      ILE   8  -9.045   3.405  14.819
   70   3HD1  ILE   8          3HD1      ILE   8  -8.070   4.765  15.342
   71    HA   PRO   9           HA       PRO   9  -2.253   6.164  10.251
   72   1HB   PRO   9          2HB       PRO   9  -2.147   8.911  10.225
   73   2HB   PRO   9          1HB       PRO   9  -2.960   7.980   8.967
   74   1HG   PRO   9          2HG       PRO   9  -4.166   9.450  11.305
   75   2HG   PRO   9          1HG       PRO   9  -4.843   9.247   9.702
   76   1HD   PRO   9          2HD       PRO   9  -5.637   7.795  11.867
   77   2HD   PRO   9          1HD       PRO   9  -5.847   7.283  10.186
   78    H    ALA  10           H        ALA  10  -3.622   8.004  12.851
   79    HA   ALA  10           HA       ALA  10  -1.244   8.671  14.271
   80   1HB   ALA  10          1HB       ALA  10  -2.795   9.150  16.159
   81   2HB   ALA  10          2HB       ALA  10  -4.086   8.336  15.287
   82   3HB   ALA  10          3HB       ALA  10  -3.384   9.812  14.642
   83    H    CYS  11           H        CYS  11  -2.885   5.695  14.019
   84    HA   CYS  11           HA       CYS  11  -1.580   4.599  16.476
   85   1HB   CYS  11          2HB       CYS  11  -4.083   4.282  16.024
   86   2HB   CYS  11          1HB       CYS  11  -3.615   3.267  14.704
   87    H    ARG  12           H        ARG  12  -2.095   4.059  13.088
   88    HA   ARG  12           HA       ARG  12  -0.539   1.753  12.646
   89   1HB   ARG  12          2HB       ARG  12  -2.053   2.609  10.994
   90   2HB   ARG  12          1HB       ARG  12  -1.251   4.149  10.930
   91   1HG   ARG  12          2HG       ARG  12   0.158   1.594  10.059
   92   2HG   ARG  12          1HG       ARG  12  -0.894   2.462   8.962
   93   1HD   ARG  12          2HD       ARG  12   1.683   3.518  10.219
   94   2HD   ARG  12          1HD       ARG  12   1.333   3.266   8.520
   95    HE   ARG  12           HE       ARG  12  -0.621   5.024   9.180
   96   1HH1  ARG  12          2HH1      ARG  12   2.786   4.998   9.827
   97   2HH1  ARG  12          1HH1      ARG  12   2.899   6.724   9.869
   98   1HH2  ARG  12          1HH2      ARG  12  -0.497   7.200   9.229
   99   2HH2  ARG  12          2HH2      ARG  12   1.015   7.991   9.521
  100    H    ARG  13           H        ARG  13   0.376   5.125  12.789
  101    HA   ARG  13           HA       ARG  13   3.115   4.814  12.004
  102   1HB   ARG  13          2HB       ARG  13   3.414   7.088  12.874
  103   2HB   ARG  13          1HB       ARG  13   1.901   6.996  11.999
  104   1HG   ARG  13          2HG       ARG  13   0.703   6.635  14.213
  105   2HG   ARG  13          1HG       ARG  13   2.226   6.918  15.030
  106   1HD   ARG  13          2HD       ARG  13   0.870   8.921  13.185
  107   2HD   ARG  13          1HD       ARG  13   0.900   9.000  14.946
  108    HE   ARG  13           HE       ARG  13   3.581   8.804  14.091
  109   1HH1  ARG  13          2HH1      ARG  13   0.885  10.961  13.823
  110   2HH1  ARG  13          1HH1      ARG  13   1.879  12.372  13.694
  111   1HH2  ARG  13          1HH2      ARG  13   4.863  10.576  13.928
  112   2HH2  ARG  13          2HH2      ARG  13   4.166  12.152  13.753
  113    H    ASN  14           H        ASN  14   1.505   4.445  15.055
  114    HA   ASN  14           HA       ASN  14   3.730   4.607  16.814
  115   1HB   ASN  14          2HB       ASN  14   1.323   4.617  17.535
  116   2HB   ASN  14          1HB       ASN  14   1.219   2.907  17.139
  117   1HD2  ASN  14          1HD2      ASN  14   2.866   5.211  19.304
  118   2HD2  ASN  14          2HD2      ASN  14   3.244   4.064  20.496
  119    H    HIS  15           H        HIS  15   2.684   2.033  14.731
  120    HA   HIS  15           HA       HIS  15   4.989   0.376  15.669
  121   1HB   HIS  15          2HB       HIS  15   3.505  -1.661  15.255
  122   2HB   HIS  15          1HB       HIS  15   3.054  -0.682  16.638
  123    HD1  HIS  15           HD1      HIS  15   1.840  -1.544  13.237
  124    HD2  HIS  15           HD2      HIS  15   0.592   0.681  16.421
  125    HE1  HIS  15           HE1      HIS  15  -0.516  -0.958  12.794
  126    H    LYS  16           H        LYS  16   2.585   0.402  13.107
  127    HA   LYS  16           HA       LYS  16   2.689   0.373  10.805
  128   1HB   LYS  16          2HB       LYS  16   5.747   0.580  11.062
  129   2HB   LYS  16          1HB       LYS  16   4.796   0.841   9.624
  130   1HG   LYS  16          2HG       LYS  16   3.695   2.794  10.620
  131   2HG   LYS  16          1HG       LYS  16   4.558   2.551  12.131
  132   1HD   LYS  16          2HD       LYS  16   6.726   2.854  10.933
  133   2HD   LYS  16          1HD       LYS  16   5.857   3.107   9.428
  134   1HE   LYS  16          2HE       LYS  16   4.741   5.105  10.408
  135   2HE   LYS  16          1HE       LYS  16   5.612   4.854  11.915
  136   1HZ   LYS  16          1HZ       LYS  16   6.695   6.486  10.553
  137   2HZ   LYS  16          2HZ       LYS  16   6.830   5.382   9.271
  138   3HZ   LYS  16          3HZ       LYS  16   7.683   5.114  10.715
  139    H    LYS  17           H        LYS  17   5.458  -1.403  12.068
  140    HA   LYS  17           HA       LYS  17   5.385  -3.484  10.123
  141   1HB   LYS  17          2HB       LYS  17   6.987  -4.639  11.647
  142   2HB   LYS  17          1HB       LYS  17   7.417  -2.951  11.450
  143   1HG   LYS  17          2HG       LYS  17   6.221  -2.423  13.619
  144   2HG   LYS  17          1HG       LYS  17   5.902  -4.130  13.832
  145   1HD   LYS  17          2HD       LYS  17   8.683  -2.907  13.615
  146   2HD   LYS  17          1HD       LYS  17   7.899  -3.343  15.119
  147   1HE   LYS  17          2HE       LYS  17   7.788  -5.731  14.359
  148   2HE   LYS  17          1HE       LYS  17   8.634  -5.287  12.882
  149   1HZ   LYS  17          1HZ       LYS  17  10.482  -4.511  14.208
  150   2HZ   LYS  17          2HZ       LYS  17  10.147  -6.150  14.506
  151   3HZ   LYS  17          3HZ       LYS  17   9.675  -4.967  15.631
  152    H    PHE  18           H        PHE  18   3.586  -3.076  12.999
  153    HA   PHE  18           HA       PHE  18   2.906  -5.757  13.644
  154   1HB   PHE  18          2HB       PHE  18   2.248  -3.605  14.883
  155   2HB   PHE  18          1HB       PHE  18   0.999  -3.392  13.684
  156    HD1  PHE  18           HD1      PHE  18  -0.865  -5.035  13.448
  157    HD2  PHE  18           HD2      PHE  18   1.943  -5.303  16.646
  158    HE1  PHE  18           HE1      PHE  18  -2.382  -6.532  14.656
  159    HE2  PHE  18           HE2      PHE  18   0.418  -6.800  17.850
  160    HZ   PHE  18           HZ       PHE  18  -1.746  -7.418  16.860
  161    H    CYS  19           H        CYS  19   1.960  -3.581  11.254
  162    HA   CYS  19           HA       CYS  19   0.363  -5.629   9.761
  163   1HB   CYS  19          2HB       CYS  19  -1.267  -3.890   9.214
  164   2HB   CYS  19          1HB       CYS  19  -1.115  -4.055  10.937
  165   1HN   NH2  20          1HT       CYS  19  -0.094  -3.588   7.585
  166   2HN   NH2  20          2HT       CYS  19   1.407  -3.427   6.809
  Start of MODEL    6
    1   1H    PHE   1          1H        PHE   1  -7.686  -2.407  19.386
    2   2H    PHE   1          2H        PHE   1  -8.254  -3.730  18.484
    3   3H    PHE   1          3H        PHE   1  -8.571  -2.146  17.959
    4    HA   PHE   1           HA       PHE   1  -6.384  -1.758  17.341
    5   1HB   PHE   1          2HB       PHE   1  -5.288  -2.805  19.363
    6   2HB   PHE   1          1HB       PHE   1  -5.783  -4.401  18.837
    7    HD1  PHE   1           HD1      PHE   1  -3.509  -1.566  18.111
    8    HD2  PHE   1           HD2      PHE   1  -4.553  -5.568  17.073
    9    HE1  PHE   1           HE1      PHE   1  -1.443  -1.784  16.807
   10    HE2  PHE   1           HE2      PHE   1  -2.498  -5.770  15.768
   11    HZ   PHE   1           HZ       PHE   1  -0.933  -3.875  15.635
   12    H    ASN   2           H        ASN   2  -6.594  -5.294  17.272
   13    HA   ASN   2           HA       ASN   2  -6.668  -6.704  15.293
   14   1HB   ASN   2          2HB       ASN   2  -8.869  -4.693  14.620
   15   2HB   ASN   2          1HB       ASN   2  -8.740  -6.355  14.061
   16   1HD2  ASN   2          1HD2      ASN   2  -9.617  -7.978  15.335
   17   2HD2  ASN   2          2HD2      ASN   2 -10.266  -7.725  16.884
   18    H    TRP   3           H        TRP   3  -7.655  -5.493  12.880
   19    HA   TRP   3           HA       TRP   3  -5.085  -4.529  11.761
   20   1HB   TRP   3          2HB       TRP   3  -7.372  -4.669   9.833
   21   2HB   TRP   3          1HB       TRP   3  -5.857  -5.551   9.768
   22    HD1  TRP   3           HD1      TRP   3  -5.945  -8.159  10.499
   23    HE1  TRP   3           HE1      TRP   3  -7.815  -9.536  11.402
   24    HE3  TRP   3           HE3      TRP   3  -9.370  -4.559  11.336
   25    HZ2  TRP   3           HZ2      TRP   3 -10.486  -9.261  12.413
   26    HZ3  TRP   3           HZ3      TRP   3 -11.583  -5.124  12.295
   27    HH2  TRP   3           HH2      TRP   3 -12.132  -7.470  12.835
   28    H    ARG   4           H        ARG   4  -7.934  -3.407  13.058
   29    HA   ARG   4           HA       ARG   4  -8.567  -1.110  11.603
   30   1HB   ARG   4          2HB       ARG   4  -8.746  -1.685  14.582
   31   2HB   ARG   4          1HB       ARG   4  -9.344  -0.222  13.876
   32   1HG   ARG   4          2HG       ARG   4 -10.173  -3.012  12.930
   33   2HG   ARG   4          1HG       ARG   4 -11.041  -2.154  14.184
   34   1HD   ARG   4          2HD       ARG   4 -11.622  -0.346  12.663
   35   2HD   ARG   4          1HD       ARG   4 -10.626  -0.998  11.376
   36    HE   ARG   4           HE       ARG   4 -13.244  -2.008  12.249
   37   1HH1  ARG   4          2HH1      ARG   4 -10.332  -2.592  10.447
   38   2HH1  ARG   4          1HH1      ARG   4 -11.066  -3.801   9.450
   39   1HH2  ARG   4          1HH2      ARG   4 -14.179  -3.538  10.997
   40   2HH2  ARG   4          2HH2      ARG   4 -13.268  -4.347   9.764
   41    H    CYS   5           H        CYS   5  -6.049  -1.726  13.809
   42    HA   CYS   5           HA       CYS   5  -5.174   0.945  14.363
   43   1HB   CYS   5          2HB       CYS   5  -4.458  -1.155  15.518
   44   2HB   CYS   5          1HB       CYS   5  -3.491  -1.553  14.137
   45    H    CYS   6           H        CYS   6  -4.275  -1.379  11.939
   46    HA   CYS   6           HA       CYS   6  -2.269   0.075  10.542
   47   1HB   CYS   6          2HB       CYS   6  -4.321  -1.721   9.209
   48   2HB   CYS   6          1HB       CYS   6  -2.738  -1.336   8.626
   49    H    LEU   7           H        LEU   7  -5.727   0.247  10.438
   50    HA   LEU   7           HA       LEU   7  -5.854   2.050   8.137
   51   1HB   LEU   7          2HB       LEU   7  -8.029   1.280  10.127
   52   2HB   LEU   7          1HB       LEU   7  -8.281   2.044   8.574
   53    HG   LEU   7           HG       LEU   7  -7.075  -0.741   8.970
   54   1HD1  LEU   7          1HD1      LEU   7  -9.228  -1.546   8.032
   55   2HD1  LEU   7          2HD1      LEU   7  -9.828   0.104   7.973
   56   3HD1  LEU   7          3HD1      LEU   7  -9.491  -0.654   9.519
   57   1HD2  LEU   7          1HD2      LEU   7  -7.335  -0.949   6.504
   58   2HD2  LEU   7          2HD2      LEU   7  -6.244   0.365   6.887
   59   3HD2  LEU   7          3HD2      LEU   7  -7.899   0.710   6.411
   60    H    ILE   8           H        ILE   8  -5.948   2.382  11.622
   61    HA   ILE   8           HA       ILE   8  -6.737   5.192  11.553
   62    HB   ILE   8           HB       ILE   8  -5.631   3.457  13.818
   63   1HG1  ILE   8          2HG1      ILE   8  -8.489   4.433  13.350
   64   2HG1  ILE   8          1HG1      ILE   8  -7.954   2.892  12.740
   65   1HG2  ILE   8          1HG2      ILE   8  -6.997   6.196  13.939
   66   2HG2  ILE   8          2HG2      ILE   8  -5.278   5.941  14.198
   67   3HG2  ILE   8          3HG2      ILE   8  -6.443   5.285  15.325
   68   1HD1  ILE   8          1HD1      ILE   8  -7.955   3.735  15.674
   69   2HD1  ILE   8          2HD1      ILE   8  -7.373   2.188  15.075
   70   3HD1  ILE   8          3HD1      ILE   8  -9.069   2.612  14.917
   71    HA   PRO   9           HA       PRO   9  -2.591   6.559  10.754
   72   1HB   PRO   9          2HB       PRO   9  -2.839   9.239  11.268
   73   2HB   PRO   9          1HB       PRO   9  -3.546   8.471   9.849
   74   1HG   PRO   9          2HG       PRO   9  -4.882   9.299  12.412
   75   2HG   PRO   9          1HG       PRO   9  -5.554   9.313  10.793
   76   1HD   PRO   9          2HD       PRO   9  -6.095   7.397  12.662
   77   2HD   PRO   9          1HD       PRO   9  -6.303   7.172  10.920
   78    H    ALA  10           H        ALA  10  -4.107   7.644  13.683
   79    HA   ALA  10           HA       ALA  10  -1.661   8.202  15.143
   80   1HB   ALA  10          1HB       ALA  10  -3.209   8.484  17.079
   81   2HB   ALA  10          2HB       ALA  10  -4.520   7.820  16.116
   82   3HB   ALA  10          3HB       ALA  10  -3.781   9.347  15.662
   83    H    CYS  11           H        CYS  11  -2.675   5.322  14.123
   84    HA   CYS  11           HA       CYS  11  -1.604   3.873  16.521
   85   1HB   CYS  11          2HB       CYS  11  -4.136   3.677  16.025
   86   2HB   CYS  11          1HB       CYS  11  -3.665   2.741  14.643
   87    H    ARG  12           H        ARG  12  -2.121   3.893  13.059
   88    HA   ARG  12           HA       ARG  12  -0.468   1.643  12.488
   89   1HB   ARG  12          2HB       ARG  12  -0.474   2.431  10.129
   90   2HB   ARG  12          1HB       ARG  12  -2.070   2.587  10.817
   91   1HG   ARG  12          2HG       ARG  12  -1.902   4.661   9.823
   92   2HG   ARG  12          1HG       ARG  12  -1.252   5.042  11.404
   93   1HD   ARG  12          2HD       ARG  12   1.101   4.633  10.401
   94   2HD   ARG  12          1HD       ARG  12   0.299   4.573   8.842
   95    HE   ARG  12           HE       ARG  12  -0.694   6.885   9.699
   96   1HH1  ARG  12          2HH1      ARG  12   2.549   5.665  10.048
   97   2HH1  ARG  12          1HH1      ARG  12   3.245   7.247  10.075
   98   1HH2  ARG  12          1HH2      ARG  12   0.181   8.872   9.727
   99   2HH2  ARG  12          2HH2      ARG  12   1.892   9.087   9.888
  100    H    ARG  13           H        ARG  13   0.135   4.959  12.990
  101    HA   ARG  13           HA       ARG  13   2.833   5.169  12.084
  102   1HB   ARG  13          2HB       ARG  13   1.359   7.119  12.541
  103   2HB   ARG  13          1HB       ARG  13   1.299   6.687  14.232
  104   1HG   ARG  13          2HG       ARG  13   3.918   6.983  14.185
  105   2HG   ARG  13          1HG       ARG  13   3.653   7.764  12.634
  106   1HD   ARG  13          2HD       ARG  13   3.676   9.453  14.446
  107   2HD   ARG  13          1HD       ARG  13   2.058   9.361  13.749
  108    HE   ARG  13           HE       ARG  13   2.296   7.510  15.935
  109   1HH1  ARG  13          2HH1      ARG  13   2.016  10.887  15.221
  110   2HH1  ARG  13          1HH1      ARG  13   1.252  11.257  16.730
  111   1HH2  ARG  13          1HH2      ARG  13   1.335   7.947  17.842
  112   2HH2  ARG  13          2HH2      ARG  13   0.860   9.565  18.242
  113    H    ASN  14           H        ASN  14   1.295   4.317  15.062
  114    HA   ASN  14           HA       ASN  14   3.758   3.953  16.586
  115   1HB   ASN  14          2HB       ASN  14   0.863   3.280  17.272
  116   2HB   ASN  14          1HB       ASN  14   2.201   3.338  18.412
  117   1HD2  ASN  14          1HD2      ASN  14   0.441   5.398  16.053
  118   2HD2  ASN  14          2HD2      ASN  14   0.716   6.854  16.881
  119    H    HIS  15           H        HIS  15   2.647   2.136  14.172
  120    HA   HIS  15           HA       HIS  15   3.864  -0.308  15.305
  121   1HB   HIS  15          2HB       HIS  15   1.937  -1.661  15.256
  122   2HB   HIS  15          1HB       HIS  15   1.239  -0.141  15.715
  123    HD1  HIS  15           HD1      HIS  15   1.726   0.209  12.207
  124    HD2  HIS  15           HD2      HIS  15  -0.981  -1.788  14.503
  125    HE1  HIS  15           HE1      HIS  15  -0.189  -0.248  10.757
  126    H    LYS  16           H        LYS  16   4.469   1.606  13.212
  127    HA   LYS  16           HA       LYS  16   4.268   1.426  10.668
  128   1HB   LYS  16          2HB       LYS  16   6.871   0.917  12.129
  129   2HB   LYS  16          1HB       LYS  16   6.838   1.198  10.404
  130   1HG   LYS  16          2HG       LYS  16   5.714   3.134  12.470
  131   2HG   LYS  16          1HG       LYS  16   7.311   3.264  11.761
  132   1HD   LYS  16          2HD       LYS  16   6.184   3.335   9.457
  133   2HD   LYS  16          1HD       LYS  16   4.643   3.464  10.286
  134   1HE   LYS  16          2HE       LYS  16   6.948   5.426  10.591
  135   2HE   LYS  16          1HE       LYS  16   5.485   5.701   9.658
  136   1HZ   LYS  16          1HZ       LYS  16   4.552   6.451  11.478
  137   2HZ   LYS  16          2HZ       LYS  16   5.911   6.044  12.414
  138   3HZ   LYS  16          3HZ       LYS  16   4.676   4.907  12.169
  139    H    LYS  17           H        LYS  17   6.232  -1.213  11.925
  140    HA   LYS  17           HA       LYS  17   5.575  -2.793   9.480
  141   1HB   LYS  17          2HB       LYS  17   7.555  -4.171  10.086
  142   2HB   LYS  17          1HB       LYS  17   7.981  -2.477   9.960
  143   1HG   LYS  17          2HG       LYS  17   7.825  -2.229  12.441
  144   2HG   LYS  17          1HG       LYS  17   7.393  -3.919  12.592
  145   1HD   LYS  17          2HD       LYS  17  10.011  -2.906  11.404
  146   2HD   LYS  17          1HD       LYS  17   9.820  -3.461  13.055
  147   1HE   LYS  17          2HE       LYS  17   9.117  -5.715  12.204
  148   2HE   LYS  17          1HE       LYS  17   9.386  -5.162  10.556
  149   1HZ   LYS  17          1HZ       LYS  17  11.659  -4.876  10.957
  150   2HZ   LYS  17          2HZ       LYS  17  11.250  -6.400  11.584
  151   3HZ   LYS  17          3HZ       LYS  17  11.480  -5.085  12.633
  152    H    PHE  18           H        PHE  18   4.711  -2.701  12.690
  153    HA   PHE  18           HA       PHE  18   4.359  -5.385  13.436
  154   1HB   PHE  18          2HB       PHE  18   3.874  -3.214  14.747
  155   2HB   PHE  18          1HB       PHE  18   2.336  -3.198  13.923
  156    HD1  PHE  18           HD1      PHE  18   4.272  -4.842  16.546
  157    HD2  PHE  18           HD2      PHE  18   0.666  -5.025  14.281
  158    HE1  PHE  18           HE1      PHE  18   3.329  -6.422  18.168
  159    HE2  PHE  18           HE2      PHE  18  -0.271  -6.605  15.905
  160    HZ   PHE  18           HZ       PHE  18   1.056  -7.306  17.851
  161    H    CYS  19           H        CYS  19   2.544  -3.323  11.374
  162    HA   CYS  19           HA       CYS  19   0.321  -5.207  10.916
  163   1HB   CYS  19          2HB       CYS  19   0.054  -2.750  10.794
  164   2HB   CYS  19          1HB       CYS  19   1.022  -2.714   9.339
  165   1HN   NH2  20          1HT       CYS  19   3.283  -4.255   9.169
  166   2HN   NH2  20          2HT       CYS  19   3.168  -5.453   7.971
  Start of MODEL    7
    1   1H    PHE   1          1H        PHE   1  -8.912  -5.167  19.350
    2   2H    PHE   1          2H        PHE   1  -9.028  -6.127  17.954
    3   3H    PHE   1          3H        PHE   1  -9.799  -4.616  18.010
    4    HA   PHE   1           HA       PHE   1  -7.829  -3.437  17.857
    5   1HB   PHE   1          2HB       PHE   1  -6.561  -4.806  19.557
    6   2HB   PHE   1          1HB       PHE   1  -6.431  -6.127  18.416
    7    HD1  PHE   1           HD1      PHE   1  -5.489  -2.541  18.916
    8    HD2  PHE   1           HD2      PHE   1  -4.635  -6.166  16.841
    9    HE1  PHE   1           HE1      PHE   1  -3.440  -1.545  18.010
   10    HE2  PHE   1           HE2      PHE   1  -2.589  -5.163  15.937
   11    HZ   PHE   1           HZ       PHE   1  -1.986  -2.851  16.518
   12    H    ASN   2           H        ASN   2  -7.059  -6.677  16.626
   13    HA   ASN   2           HA       ASN   2  -6.723  -7.356  14.325
   14   1HB   ASN   2          2HB       ASN   2  -9.057  -5.440  13.861
   15   2HB   ASN   2          1HB       ASN   2  -8.590  -6.820  12.882
   16   1HD2  ASN   2          1HD2      ASN   2  -9.848  -5.958  16.107
   17   2HD2  ASN   2          2HD2      ASN   2 -10.593  -7.457  16.385
   18    H    TRP   3           H        TRP   3  -7.396  -5.596  12.206
   19    HA   TRP   3           HA       TRP   3  -4.872  -4.062  11.994
   20   1HB   TRP   3          2HB       TRP   3  -6.599  -3.821   9.603
   21   2HB   TRP   3          1HB       TRP   3  -5.042  -4.617   9.733
   22    HD1  TRP   3           HD1      TRP   3  -5.084  -7.286   9.543
   23    HE1  TRP   3           HE1      TRP   3  -6.961  -8.923   9.620
   24    HE3  TRP   3           HE3      TRP   3  -8.901  -4.212  10.730
   25    HZ2  TRP   3           HZ2      TRP   3  -9.780  -9.046  10.136
   26    HZ3  TRP   3           HZ3      TRP   3 -11.186  -5.101  11.037
   27    HH2  TRP   3           HH2      TRP   3 -11.618  -7.518  10.747
   28    H    ARG   4           H        ARG   4  -7.644  -3.390  13.377
   29    HA   ARG   4           HA       ARG   4  -8.704  -1.055  12.293
   30   1HB   ARG   4          2HB       ARG   4  -8.264  -1.693  15.222
   31   2HB   ARG   4          1HB       ARG   4  -9.257  -0.392  14.632
   32   1HG   ARG   4          2HG       ARG   4 -10.724  -1.963  13.420
   33   2HG   ARG   4          1HG       ARG   4  -9.714  -3.319  13.870
   34   1HD   ARG   4          2HD       ARG   4 -11.692  -3.193  15.372
   35   2HD   ARG   4          1HD       ARG   4 -10.226  -2.885  16.289
   36    HE   ARG   4           HE       ARG   4 -10.945  -0.687  16.648
   37   1HH1  ARG   4          2HH1      ARG   4 -12.754  -2.131  14.066
   38   2HH1  ARG   4          1HH1      ARG   4 -13.863  -0.806  13.958
   39   1HH2  ARG   4          1HH2      ARG   4 -12.337   0.994  16.523
   40   2HH2  ARG   4          2HH2      ARG   4 -13.625   0.988  15.364
   41    H    CYS   5           H        CYS   5  -5.894  -1.488  14.284
   42    HA   CYS   5           HA       CYS   5  -5.219   1.285  14.665
   43   1HB   CYS   5          2HB       CYS   5  -4.398  -0.680  15.965
   44   2HB   CYS   5          1HB       CYS   5  -3.407  -1.127  14.621
   45    H    CYS   6           H        CYS   6  -4.249  -1.153  12.397
   46    HA   CYS   6           HA       CYS   6  -2.320   0.285  10.877
   47   1HB   CYS   6          2HB       CYS   6  -4.301  -1.651   9.653
   48   2HB   CYS   6          1HB       CYS   6  -2.720  -1.251   9.079
   49    H    LEU   7           H        LEU   7  -5.787   0.464  10.920
   50    HA   LEU   7           HA       LEU   7  -6.049   1.933   8.413
   51   1HB   LEU   7          2HB       LEU   7  -8.053   1.511  10.671
   52   2HB   LEU   7          1HB       LEU   7  -8.437   2.195   9.111
   53    HG   LEU   7           HG       LEU   7  -7.328  -0.626   9.508
   54   1HD1  LEU   7          1HD1      LEU   7  -9.634  -0.373  10.426
   55   2HD1  LEU   7          2HD1      LEU   7  -9.640  -1.366   8.980
   56   3HD1  LEU   7          3HD1      LEU   7 -10.168   0.307   8.900
   57   1HD2  LEU   7          1HD2      LEU   7  -8.499   0.730   7.037
   58   2HD2  LEU   7          2HD2      LEU   7  -7.989  -0.946   7.138
   59   3HD2  LEU   7          3HD2      LEU   7  -6.803   0.335   7.263
   60    H    ILE   8           H        ILE   8  -6.196   2.843  11.844
   61    HA   ILE   8           HA       ILE   8  -6.606   5.667  11.150
   62    HB   ILE   8           HB       ILE   8  -5.879   4.361  13.845
   63   1HG1  ILE   8          2HG1      ILE   8  -8.217   5.224  14.471
   64   2HG1  ILE   8          1HG1      ILE   8  -8.472   5.595  12.782
   65   1HG2  ILE   8          1HG2      ILE   8  -6.603   7.275  13.280
   66   2HG2  ILE   8          2HG2      ILE   8  -4.991   6.713  13.686
   67   3HG2  ILE   8          3HG2      ILE   8  -6.284   6.593  14.856
   68   1HD1  ILE   8          1HD1      ILE   8  -9.491   3.443  13.392
   69   2HD1  ILE   8          2HD1      ILE   8  -7.933   2.844  13.926
   70   3HD1  ILE   8          3HD1      ILE   8  -8.220   3.182  12.220
   71    HA   PRO   9           HA       PRO   9  -2.287   6.161  10.255
   72   1HB   PRO   9          2HB       PRO   9  -2.097   8.906  10.251
   73   2HB   PRO   9          1HB       PRO   9  -2.872   7.996   8.955
   74   1HG   PRO   9          2HG       PRO   9  -4.150   9.449  11.269
   75   2HG   PRO   9          1HG       PRO   9  -4.725   9.349   9.616
   76   1HD   PRO   9          2HD       PRO   9  -5.772   7.853  11.606
   77   2HD   PRO   9          1HD       PRO   9  -5.745   7.311   9.927
   78    H    ALA  10           H        ALA  10  -3.703   8.011  12.799
   79    HA   ALA  10           HA       ALA  10  -1.383   8.664  14.322
   80   1HB   ALA  10          1HB       ALA  10  -3.547   9.792  14.629
   81   2HB   ALA  10          2HB       ALA  10  -3.002   9.123  16.158
   82   3HB   ALA  10          3HB       ALA  10  -4.260   8.309  15.242
   83    H    CYS  11           H        CYS  11  -3.001   5.665  14.018
   84    HA   CYS  11           HA       CYS  11  -1.727   4.587  16.507
   85   1HB   CYS  11          2HB       CYS  11  -4.234   4.247  16.016
   86   2HB   CYS  11          1HB       CYS  11  -3.739   3.198  14.729
   87    H    ARG  12           H        ARG  12  -2.180   4.151  13.127
   88    HA   ARG  12           HA       ARG  12  -0.660   1.852  12.564
   89   1HB   ARG  12          2HB       ARG  12  -2.169   2.723  10.942
   90   2HB   ARG  12          1HB       ARG  12  -1.398   4.288  10.942
   91   1HG   ARG  12          2HG       ARG  12   0.288   1.939  10.108
   92   2HG   ARG  12          1HG       ARG  12  -0.969   2.459   9.004
   93   1HD   ARG  12          2HD       ARG  12  -0.095   4.725   8.943
   94   2HD   ARG  12          1HD       ARG  12   1.098   4.394  10.175
   95    HE   ARG  12           HE       ARG  12   1.098   3.320   7.391
   96   1HH1  ARG  12          2HH1      ARG  12   2.716   3.785  10.440
   97   2HH1  ARG  12          1HH1      ARG  12   4.255   3.332   9.801
   98   1HH2  ARG  12          1HH2      ARG  12   3.021   2.729   6.592
   99   2HH2  ARG  12          2HH2      ARG  12   4.435   2.716   7.590
  100    H    ARG  13           H        ARG  13   0.336   5.162  12.976
  101    HA   ARG  13           HA       ARG  13   3.035   4.838  11.999
  102   1HB   ARG  13          2HB       ARG  13   3.390   7.092  12.958
  103   2HB   ARG  13          1HB       ARG  13   1.932   7.002  12.009
  104   1HG   ARG  13          2HG       ARG  13   1.250   8.238  13.905
  105   2HG   ARG  13          1HG       ARG  13   0.666   6.624  14.242
  106   1HD   ARG  13          2HD       ARG  13   1.748   7.685  16.221
  107   2HD   ARG  13          1HD       ARG  13   2.528   6.189  15.754
  108    HE   ARG  13           HE       ARG  13   3.629   8.747  14.716
  109   1HH1  ARG  13          2HH1      ARG  13   3.938   5.972  16.803
  110   2HH1  ARG  13          1HH1      ARG  13   5.619   6.261  17.087
  111   1HH2  ARG  13          1HH2      ARG  13   5.750   9.098  15.083
  112   2HH2  ARG  13          2HH2      ARG  13   6.655   8.037  16.112
  113    H    ASN  14           H        ASN  14   1.637   3.728  14.818
  114    HA   ASN  14           HA       ASN  14   4.109   3.891  16.453
  115   1HB   ASN  14          2HB       ASN  14   1.374   2.728  17.134
  116   2HB   ASN  14          1HB       ASN  14   2.719   2.886  18.250
  117   1HD2  ASN  14          1HD2      ASN  14   0.176   4.621  16.596
  118   2HD2  ASN  14          2HD2      ASN  14   0.420   6.108  17.380
  119    H    HIS  15           H        HIS  15   2.043   1.555  14.877
  120    HA   HIS  15           HA       HIS  15   4.109  -0.578  15.330
  121   1HB   HIS  15          2HB       HIS  15   2.318  -2.163  15.702
  122   2HB   HIS  15          1HB       HIS  15   1.764  -0.725  16.506
  123    HD1  HIS  15           HD1      HIS  15   0.211  -3.085  14.722
  124    HD2  HIS  15           HD2      HIS  15   0.405   0.931  14.081
  125    HE1  HIS  15           HE1      HIS  15  -1.736  -2.519  13.318
  126    H    LYS  16           H        LYS  16   4.329   1.214  13.400
  127    HA   LYS  16           HA       LYS  16   3.365   1.157  10.894
  128   1HB   LYS  16          2HB       LYS  16   5.251   2.516  11.521
  129   2HB   LYS  16          1HB       LYS  16   6.259   1.110  11.792
  130   1HG   LYS  16          2HG       LYS  16   6.299   0.611   9.381
  131   2HG   LYS  16          1HG       LYS  16   5.127   1.859   9.054
  132   1HD   LYS  16          2HD       LYS  16   7.346   2.697   8.490
  133   2HD   LYS  16          1HD       LYS  16   6.798   3.559   9.912
  134   1HE   LYS  16          2HE       LYS  16   8.157   2.060  11.368
  135   2HE   LYS  16          1HE       LYS  16   8.668   1.142   9.956
  136   1HZ   LYS  16          1HZ       LYS  16  10.298   2.779  10.663
  137   2HZ   LYS  16          2HZ       LYS  16   9.178   4.027  10.397
  138   3HZ   LYS  16          3HZ       LYS  16   9.734   3.093   9.091
  139    H    LYS  17           H        LYS  17   6.208  -0.882  11.281
  140    HA   LYS  17           HA       LYS  17   5.284  -2.625   9.121
  141   1HB   LYS  17          2HB       LYS  17   7.698  -1.926   9.412
  142   2HB   LYS  17          1HB       LYS  17   7.747  -2.808  10.926
  143   1HG   LYS  17          2HG       LYS  17   7.376  -4.944   9.745
  144   2HG   LYS  17          1HG       LYS  17   7.116  -4.103   8.231
  145   1HD   LYS  17          2HD       LYS  17   9.383  -5.035   8.281
  146   2HD   LYS  17          1HD       LYS  17   9.478  -3.287   8.293
  147   1HE   LYS  17          2HE       LYS  17  11.062  -4.294   9.922
  148   2HE   LYS  17          1HE       LYS  17   9.871  -3.318  10.762
  149   1HZ   LYS  17          1HZ       LYS  17   9.573  -6.233  10.366
  150   2HZ   LYS  17          2HZ       LYS  17   8.699  -5.228  11.419
  151   3HZ   LYS  17          3HZ       LYS  17  10.338  -5.556  11.724
  152    H    PHE  18           H        PHE  18   4.999  -2.575  12.464
  153    HA   PHE  18           HA       PHE  18   4.920  -5.321  13.166
  154   1HB   PHE  18          2HB       PHE  18   4.709  -3.234  14.669
  155   2HB   PHE  18          1HB       PHE  18   3.037  -3.207  14.179
  156    HD1  PHE  18           HD1      PHE  18   1.410  -4.767  15.009
  157    HD2  PHE  18           HD2      PHE  18   5.522  -5.228  16.039
  158    HE1  PHE  18           HE1      PHE  18   0.799  -6.425  16.708
  159    HE2  PHE  18           HE2      PHE  18   4.903  -6.888  17.738
  160    HZ   PHE  18           HZ       PHE  18   2.543  -7.488  18.077
  161    H    CYS  19           H        CYS  19   2.733  -3.207  11.607
  162    HA   CYS  19           HA       CYS  19   0.372  -4.905  11.626
  163   1HB   CYS  19          2HB       CYS  19   0.197  -2.473  11.183
  164   2HB   CYS  19          1HB       CYS  19   1.093  -2.671   9.694
  165   1HN   NH2  20          1HT       CYS  19  -0.374  -6.351   9.970
  166   2HN   NH2  20          2HT       CYS  19   0.633  -6.907   8.720
  Start of MODEL    8
    1   1H    PHE   1          1H        PHE   1  -7.947  -3.638  19.361
    2   2H    PHE   1          2H        PHE   1  -7.984  -5.088  18.476
    3   3H    PHE   1          3H        PHE   1  -8.768  -3.708  17.875
    4    HA   PHE   1           HA       PHE   1  -6.665  -2.575  17.630
    5   1HB   PHE   1          2HB       PHE   1  -5.390  -3.826  19.422
    6   2HB   PHE   1          1HB       PHE   1  -5.545  -5.314  18.515
    7    HD1  PHE   1           HD1      PHE   1  -4.189  -5.701  16.497
    8    HD2  PHE   1           HD2      PHE   1  -3.867  -2.024  18.631
    9    HE1  PHE   1           HE1      PHE   1  -2.167  -5.154  15.238
   10    HE2  PHE   1           HE2      PHE   1  -1.837  -1.487  17.370
   11    HZ   PHE   1           HZ       PHE   1  -0.978  -3.039  15.677
   12    H    ASN   2           H        ASN   2  -6.515  -6.034  16.902
   13    HA   ASN   2           HA       ASN   2  -6.197  -7.060  14.692
   14   1HB   ASN   2          2HB       ASN   2  -8.305  -6.729  13.409
   15   2HB   ASN   2          1HB       ASN   2  -8.548  -7.122  15.087
   16   1HD2  ASN   2          1HD2      ASN   2  -9.303  -5.437  16.543
   17   2HD2  ASN   2          2HD2      ASN   2 -10.081  -4.058  15.933
   18    H    TRP   3           H        TRP   3  -7.336  -5.608  12.448
   19    HA   TRP   3           HA       TRP   3  -4.858  -4.203  11.600
   20   1HB   TRP   3          2HB       TRP   3  -7.039  -4.197   9.562
   21   2HB   TRP   3          1HB       TRP   3  -5.444  -4.925   9.449
   22    HD1  TRP   3           HD1      TRP   3  -5.335  -7.620   9.730
   23    HE1  TRP   3           HE1      TRP   3  -7.106  -9.264  10.339
   24    HE3  TRP   3           HE3      TRP   3  -9.067  -4.464  10.972
   25    HZ2  TRP   3           HZ2      TRP   3  -9.812  -9.356  11.286
   26    HZ3  TRP   3           HZ3      TRP   3 -11.244  -5.346  11.754
   27    HH2  TRP   3           HH2      TRP   3 -11.599  -7.786  11.923
   28    H    ARG   4           H        ARG   4  -7.592  -3.406  13.194
   29    HA   ARG   4           HA       ARG   4  -8.492  -1.046  11.956
   30   1HB   ARG   4          2HB       ARG   4  -8.699  -2.179  14.707
   31   2HB   ARG   4          1HB       ARG   4  -8.927  -0.450  14.587
   32   1HG   ARG   4          2HG       ARG   4 -10.718  -0.718  12.978
   33   2HG   ARG   4          1HG       ARG   4 -10.419  -2.432  12.813
   34   1HD   ARG   4          2HD       ARG   4 -12.380  -1.908  14.290
   35   2HD   ARG   4          1HD       ARG   4 -11.159  -2.812  15.155
   36    HE   ARG   4           HE       ARG   4 -11.819   0.059  15.508
   37   1HH1  ARG   4          2HH1      ARG   4  -9.811  -2.649  16.372
   38   2HH1  ARG   4          1HH1      ARG   4  -9.242  -1.893  17.818
   39   1HH2  ARG   4          1HH2      ARG   4 -11.098   1.016  17.325
   40   2HH2  ARG   4          2HH2      ARG   4  -9.972   0.206  18.365
   41    H    CYS   5           H        CYS   5  -5.738  -1.714  13.925
   42    HA   CYS   5           HA       CYS   5  -5.059   1.049  14.524
   43   1HB   CYS   5          2HB       CYS   5  -4.313  -0.892  15.848
   44   2HB   CYS   5          1HB       CYS   5  -3.371  -1.450  14.505
   45    H    CYS   6           H        CYS   6  -3.996  -1.385  12.302
   46    HA   CYS   6           HA       CYS   6  -1.952  -0.054  10.909
   47   1HB   CYS   6          2HB       CYS   6  -2.634  -2.457  10.618
   48   2HB   CYS   6          1HB       CYS   6  -3.990  -1.924   9.659
   49    H    LEU   7           H        LEU   7  -5.444   0.154  10.376
   50    HA   LEU   7           HA       LEU   7  -5.074   1.961   8.080
   51   1HB   LEU   7          2HB       LEU   7  -7.528   1.881   7.906
   52   2HB   LEU   7          1HB       LEU   7  -6.835   0.285   7.997
   53    HG   LEU   7           HG       LEU   7  -7.377   0.494  10.584
   54   1HD1  LEU   7          1HD1      LEU   7  -8.165   2.896  10.480
   55   2HD1  LEU   7          2HD1      LEU   7  -9.439   1.819  11.012
   56   3HD1  LEU   7          3HD1      LEU   7  -9.416   2.409   9.361
   57   1HD2  LEU   7          1HD2      LEU   7  -8.373  -1.172   9.060
   58   2HD2  LEU   7          2HD2      LEU   7  -9.521   0.022   8.476
   59   3HD2  LEU   7          3HD2      LEU   7  -9.603  -0.537  10.137
   60    H    ILE   8           H        ILE   8  -5.691   2.298  11.513
   61    HA   ILE   8           HA       ILE   8  -6.659   5.062  11.259
   62    HB   ILE   8           HB       ILE   8  -5.656   3.512  13.733
   63   1HG1  ILE   8          2HG1      ILE   8  -8.478   4.487  13.078
   64   2HG1  ILE   8          1HG1      ILE   8  -7.954   2.904  12.591
   65   1HG2  ILE   8          1HG2      ILE   8  -5.302   6.020  13.935
   66   2HG2  ILE   8          2HG2      ILE   8  -6.519   5.453  15.053
   67   3HG2  ILE   8          3HG2      ILE   8  -7.005   6.257  13.580
   68   1HD1  ILE   8          1HD1      ILE   8  -8.046   3.946  15.460
   69   2HD1  ILE   8          2HD1      ILE   8  -7.463   2.354  14.997
   70   3HD1  ILE   8          3HD1      ILE   8  -9.147   2.784  14.745
   71    HA   PRO   9           HA       PRO   9  -2.533   6.408  10.486
   72   1HB   PRO   9          2HB       PRO   9  -2.790   9.128  10.852
   73   2HB   PRO   9          1HB       PRO   9  -3.444   8.280   9.453
   74   1HG   PRO   9          2HG       PRO   9  -4.875   9.251  11.911
   75   2HG   PRO   9          1HG       PRO   9  -5.490   9.160  10.273
   76   1HD   PRO   9          2HD       PRO   9  -6.112   7.368  12.221
   77   2HD   PRO   9          1HD       PRO   9  -6.211   7.017  10.492
   78    H    ALA  10           H        ALA  10  -4.075   7.854  13.244
   79    HA   ALA  10           HA       ALA  10  -1.781   8.545  14.763
   80   1HB   ALA  10          1HB       ALA  10  -4.010   9.451  15.227
   81   2HB   ALA  10          2HB       ALA  10  -3.370   8.694  16.676
   82   3HB   ALA  10          3HB       ALA  10  -4.583   7.863  15.712
   83    H    CYS  11           H        CYS  11  -2.963   5.448  14.127
   84    HA   CYS  11           HA       CYS  11  -1.592   4.281  16.526
   85   1HB   CYS  11          2HB       CYS  11  -4.104   3.812  15.977
   86   2HB   CYS  11          1HB       CYS  11  -3.489   2.843  14.685
   87    H    ARG  12           H        ARG  12  -2.020   4.153  13.115
   88    HA   ARG  12           HA       ARG  12  -0.373   2.005  12.349
   89   1HB   ARG  12          2HB       ARG  12  -1.883   3.062  10.792
   90   2HB   ARG  12          1HB       ARG  12  -1.105   4.615  10.967
   91   1HG   ARG  12          2HG       ARG  12   0.537   2.308   9.919
   92   2HG   ARG  12          1HG       ARG  12  -0.650   3.028   8.854
   93   1HD   ARG  12          2HD       ARG  12   0.363   5.253   9.157
   94   2HD   ARG  12          1HD       ARG  12   1.563   4.620  10.262
   95    HE   ARG  12           HE       ARG  12   1.378   4.056   7.344
   96   1HH1  ARG  12          2HH1      ARG  12   3.097   3.727  10.358
   97   2HH1  ARG  12          1HH1      ARG  12   4.540   3.190   9.574
   98   1HH2  ARG  12          1HH2      ARG  12   3.199   3.370   6.374
   99   2HH2  ARG  12          2HH2      ARG  12   4.604   2.977   7.307
  100    H    ARG  13           H        ARG  13   0.479   5.217  13.341
  101    HA   ARG  13           HA       ARG  13   3.188   5.262  12.367
  102   1HB   ARG  13          2HB       ARG  13   1.920   6.626  14.780
  103   2HB   ARG  13          1HB       ARG  13   3.533   6.993  14.198
  104   1HG   ARG  13          2HG       ARG  13   2.663   7.745  12.046
  105   2HG   ARG  13          1HG       ARG  13   1.040   7.248  12.461
  106   1HD   ARG  13          2HD       ARG  13   2.659   9.400  13.896
  107   2HD   ARG  13          1HD       ARG  13   1.314   9.699  12.798
  108    HE   ARG  13           HE       ARG  13   0.247   8.004  14.717
  109   1HH1  ARG  13          2HH1      ARG  13   1.906  11.049  14.736
  110   2HH1  ARG  13          1HH1      ARG  13   1.111  11.601  16.171
  111   1HH2  ARG  13          1HH2      ARG  13  -0.773   8.690  16.537
  112   2HH2  ARG  13          2HH2      ARG  13  -0.427  10.251  17.203
  113    H    ASN  14           H        ASN  14   1.840   4.500  15.528
  114    HA   ASN  14           HA       ASN  14   4.311   3.455  16.625
  115   1HB   ASN  14          2HB       ASN  14   2.527   4.508  18.021
  116   2HB   ASN  14          1HB       ASN  14   1.435   3.194  17.615
  117   1HD2  ASN  14          1HD2      ASN  14   4.646   3.786  19.115
  118   2HD2  ASN  14          2HD2      ASN  14   4.555   2.478  20.193
  119    H    HIS  15           H        HIS  15   2.006   2.190  14.535
  120    HA   HIS  15           HA       HIS  15   2.997  -0.586  14.982
  121   1HB   HIS  15          2HB       HIS  15   0.122   0.324  14.517
  122   2HB   HIS  15          1HB       HIS  15   0.621  -1.359  14.421
  123    HD1  HIS  15           HD1      HIS  15   1.423  -2.405  16.674
  124    HD2  HIS  15           HD2      HIS  15  -0.039   1.376  17.144
  125    HE1  HIS  15           HE1      HIS  15   1.075  -2.092  19.094
  126    H    LYS  16           H        LYS  16   4.147   1.081  13.287
  127    HA   LYS  16           HA       LYS  16   3.284   1.244  10.645
  128   1HB   LYS  16          2HB       LYS  16   5.839   1.472  10.216
  129   2HB   LYS  16          1HB       LYS  16   5.105   2.588  11.341
  130   1HG   LYS  16          2HG       LYS  16   5.913   0.979  13.240
  131   2HG   LYS  16          1HG       LYS  16   6.916   0.240  12.014
  132   1HD   LYS  16          2HD       LYS  16   7.904   2.499  11.500
  133   2HD   LYS  16          1HD       LYS  16   6.937   3.167  12.792
  134   1HE   LYS  16          2HE       LYS  16   9.213   2.678  13.606
  135   2HE   LYS  16          1HE       LYS  16   8.043   1.660  14.432
  136   1HZ   LYS  16          1HZ       LYS  16  10.033   0.473  13.673
  137   2HZ   LYS  16          2HZ       LYS  16   9.610   0.815  12.066
  138   3HZ   LYS  16          3HZ       LYS  16   8.597  -0.157  13.020
  139    H    LYS  17           H        LYS  17   6.086  -0.879  11.092
  140    HA   LYS  17           HA       LYS  17   5.010  -2.707   9.095
  141   1HB   LYS  17          2HB       LYS  17   7.519  -2.733  10.834
  142   2HB   LYS  17          1HB       LYS  17   7.102  -4.123   9.863
  143   1HG   LYS  17          2HG       LYS  17   8.630  -2.818   8.549
  144   2HG   LYS  17          1HG       LYS  17   7.055  -2.676   7.813
  145   1HD   LYS  17          2HD       LYS  17   8.091  -0.498   7.799
  146   2HD   LYS  17          1HD       LYS  17   6.775  -0.428   8.945
  147   1HE   LYS  17          2HE       LYS  17   8.408  -0.764  10.818
  148   2HE   LYS  17          1HE       LYS  17   9.714  -0.872   9.646
  149   1HZ   LYS  17          1HZ       LYS  17   7.921   1.462   9.844
  150   2HZ   LYS  17          2HZ       LYS  17   9.388   1.341   8.998
  151   3HZ   LYS  17          3HZ       LYS  17   9.385   1.339  10.696
  152    H    PHE  18           H        PHE  18   4.474  -2.298  12.302
  153    HA   PHE  18           HA       PHE  18   4.269  -4.885  13.428
  154   1HB   PHE  18          2HB       PHE  18   4.007  -2.573  14.528
  155   2HB   PHE  18          1HB       PHE  18   2.378  -2.569  13.905
  156    HD1  PHE  18           HD1      PHE  18   0.721  -4.322  14.646
  157    HD2  PHE  18           HD2      PHE  18   4.533  -3.891  16.507
  158    HE1  PHE  18           HE1      PHE  18  -0.070  -5.615  16.574
  159    HE2  PHE  18           HE2      PHE  18   3.732  -5.183  18.433
  160    HZ   PHE  18           HZ       PHE  18   1.431  -6.046  18.470
  161    H    CYS  19           H        CYS  19   2.289  -3.029  11.372
  162    HA   CYS  19           HA       CYS  19  -0.210  -4.271  11.368
  163   1HB   CYS  19          2HB       CYS  19   0.371  -2.286  10.009
  164   2HB   CYS  19          1HB       CYS  19   1.317  -3.286   8.938
  165   1HN   NH2  20          1HT       CYS  19  -1.107  -6.165  10.455
  166   2HN   NH2  20          2HT       CYS  19  -0.182  -7.375   9.706
  Start of MODEL    9
    1   1H    PHE   1          1H        PHE   1 -10.556  -5.182  17.460
    2   2H    PHE   1          2H        PHE   1 -10.421  -4.440  18.983
    3   3H    PHE   1          3H        PHE   1  -9.471  -5.799  18.612
    4    HA   PHE   1           HA       PHE   1  -9.249  -3.064  17.506
    5   1HB   PHE   1          2HB       PHE   1  -8.007  -3.616  19.650
    6   2HB   PHE   1          1HB       PHE   1  -7.214  -4.942  18.826
    7    HD1  PHE   1           HD1      PHE   1  -7.892  -1.290  18.222
    8    HD2  PHE   1           HD2      PHE   1  -5.074  -4.482  17.962
    9    HE1  PHE   1           HE1      PHE   1  -6.204   0.261  17.351
   10    HE2  PHE   1           HE2      PHE   1  -3.394  -2.920  17.092
   11    HZ   PHE   1           HZ       PHE   1  -3.967  -0.541  16.798
   12    H    ASN   2           H        ASN   2  -7.762  -6.259  17.284
   13    HA   ASN   2           HA       ASN   2  -6.854  -7.410  15.370
   14   1HB   ASN   2          2HB       ASN   2  -8.934  -5.748  13.863
   15   2HB   ASN   2          1HB       ASN   2  -8.197  -7.257  13.360
   16   1HD2  ASN   2          1HD2      ASN   2  -9.198  -9.150  13.934
   17   2HD2  ASN   2          2HD2      ASN   2 -10.464  -9.267  15.060
   18    H    TRP   3           H        TRP   3  -6.771  -6.306  12.830
   19    HA   TRP   3           HA       TRP   3  -4.262  -4.813  12.912
   20   1HB   TRP   3          2HB       TRP   3  -5.324  -5.049  10.173
   21   2HB   TRP   3          1HB       TRP   3  -3.952  -5.889  10.871
   22    HD1  TRP   3           HD1      TRP   3  -4.260  -8.524  11.156
   23    HE1  TRP   3           HE1      TRP   3  -6.282  -9.977  11.115
   24    HE3  TRP   3           HE3      TRP   3  -7.866  -5.016  10.812
   25    HZ2  TRP   3           HZ2      TRP   3  -9.139  -9.795  10.987
   26    HZ3  TRP   3           HZ3      TRP   3 -10.250  -5.665  10.759
   27    HH2  TRP   3           HH2      TRP   3 -10.880  -8.053  10.858
   28    H    ARG   4           H        ARG   4  -7.034  -3.639  13.615
   29    HA   ARG   4           HA       ARG   4  -7.709  -1.623  11.797
   30   1HB   ARG   4          2HB       ARG   4  -7.844  -1.711  14.815
   31   2HB   ARG   4          1HB       ARG   4  -8.355  -0.289  13.937
   32   1HG   ARG   4          2HG       ARG   4  -9.950  -1.645  12.602
   33   2HG   ARG   4          1HG       ARG   4  -9.447  -3.106  13.418
   34   1HD   ARG   4          2HD       ARG   4 -10.251  -2.077  15.611
   35   2HD   ARG   4          1HD       ARG   4 -10.789  -0.680  14.694
   36    HE   ARG   4           HE       ARG   4 -12.519  -1.972  13.706
   37   1HH1  ARG   4          2HH1      ARG   4 -10.494  -3.887  15.783
   38   2HH1  ARG   4          1HH1      ARG   4 -11.612  -5.205  15.824
   39   1HH2  ARG   4          1HH2      ARG   4 -13.929  -3.629  13.758
   40   2HH2  ARG   4          2HH2      ARG   4 -13.579  -5.060  14.668
   41    H    CYS   5           H        CYS   5  -5.155  -1.838  14.096
   42    HA   CYS   5           HA       CYS   5  -4.137   0.690  14.447
   43   1HB   CYS   5          2HB       CYS   5  -3.110  -1.540  15.205
   44   2HB   CYS   5          1HB       CYS   5  -2.394  -1.637  13.640
   45    H    CYS   6           H        CYS   6  -3.613  -1.357  11.693
   46    HA   CYS   6           HA       CYS   6  -1.868   0.272  10.167
   47   1HB   CYS   6          2HB       CYS   6  -2.585  -2.158   9.860
   48   2HB   CYS   6          1HB       CYS   6  -3.941  -1.547   8.960
   49    H    LEU   7           H        LEU   7  -5.441   0.059  10.031
   50    HA   LEU   7           HA       LEU   7  -5.554   2.264   8.099
   51   1HB   LEU   7          2HB       LEU   7  -8.039   1.947   8.272
   52   2HB   LEU   7          1HB       LEU   7  -7.167   0.502   7.842
   53    HG   LEU   7           HG       LEU   7  -7.323  -0.193  10.300
   54   1HD1  LEU   7          1HD1      LEU   7  -8.002   2.055  11.246
   55   2HD1  LEU   7          2HD1      LEU   7  -9.190   0.824  11.604
   56   3HD1  LEU   7          3HD1      LEU   7  -9.478   1.979  10.314
   57   1HD2  LEU   7          1HD2      LEU   7  -9.873   0.069   8.677
   58   2HD2  LEU   7          2HD2      LEU   7  -9.626  -1.052  10.008
   59   3HD2  LEU   7          3HD2      LEU   7  -8.682  -1.214   8.538
   60    H    ILE   8           H        ILE   8  -5.032   2.219  11.344
   61    HA   ILE   8           HA       ILE   8  -6.538   4.728  11.926
   62    HB   ILE   8           HB       ILE   8  -4.848   2.942  13.792
   63   1HG1  ILE   8          2HG1      ILE   8  -7.852   3.506  13.874
   64   2HG1  ILE   8          1HG1      ILE   8  -7.203   2.095  13.090
   65   1HG2  ILE   8          1HG2      ILE   8  -6.519   5.430  14.418
   66   2HG2  ILE   8          2HG2      ILE   8  -4.764   5.402  14.393
   67   3HG2  ILE   8          3HG2      ILE   8  -5.636   4.494  15.603
   68   1HD1  ILE   8          1HD1      ILE   8  -6.161   1.369  15.228
   69   2HD1  ILE   8          2HD1      ILE   8  -7.900   1.542  15.376
   70   3HD1  ILE   8          3HD1      ILE   8  -6.842   2.774  16.034
   71    HA   PRO   9           HA       PRO   9  -2.683   6.653  10.845
   72   1HB   PRO   9          2HB       PRO   9  -3.192   9.250  11.569
   73   2HB   PRO   9          1HB       PRO   9  -3.975   8.482  10.188
   74   1HG   PRO   9          2HG       PRO   9  -5.081   9.000  12.937
   75   2HG   PRO   9          1HG       PRO   9  -5.945   8.985  11.411
   76   1HD   PRO   9          2HD       PRO   9  -5.962   6.928  13.228
   77   2HD   PRO   9          1HD       PRO   9  -6.434   6.789  11.527
   78    H    ALA  10           H        ALA  10  -3.969   7.426  13.988
   79    HA   ALA  10           HA       ALA  10  -1.496   8.213  15.221
   80   1HB   ALA  10          1HB       ALA  10  -2.788   8.004  17.343
   81   2HB   ALA  10          2HB       ALA  10  -4.077   7.195  16.466
   82   3HB   ALA  10          3HB       ALA  10  -3.694   8.872  16.115
   83    H    CYS  11           H        CYS  11  -2.599   5.153  14.316
   84    HA   CYS  11           HA       CYS  11  -0.828   3.788  16.316
   85   1HB   CYS  11          2HB       CYS  11  -3.326   3.177  16.046
   86   2HB   CYS  11          1HB       CYS  11  -2.837   2.443  14.563
   87    H    ARG  12           H        ARG  12  -1.721   3.855  12.898
   88    HA   ARG  12           HA       ARG  12   0.152   1.902  11.989
   89   1HB   ARG  12          2HB       ARG  12  -0.102   2.826   9.759
   90   2HB   ARG  12          1HB       ARG  12  -1.659   2.978  10.545
   91   1HG   ARG  12          2HG       ARG  12  -1.131   5.362  11.113
   92   2HG   ARG  12          1HG       ARG  12   0.422   5.218  10.321
   93   1HD   ARG  12          2HD       ARG  12  -1.024   6.321   8.857
   94   2HD   ARG  12          1HD       ARG  12  -0.573   4.749   8.202
   95    HE   ARG  12           HE       ARG  12  -2.901   4.090   9.393
   96   1HH1  ARG  12          2HH1      ARG  12  -2.116   6.894   7.490
   97   2HH1  ARG  12          1HH1      ARG  12  -3.741   7.092   6.933
   98   1HH2  ARG  12          1HH2      ARG  12  -4.933   4.334   8.687
   99   2HH2  ARG  12          2HH2      ARG  12  -5.365   5.628   7.619
  100    H    ARG  13           H        ARG  13   0.468   5.306  12.618
  101    HA   ARG  13           HA       ARG  13   3.144   5.516  11.594
  102   1HB   ARG  13          2HB       ARG  13   1.575   7.453  11.721
  103   2HB   ARG  13          1HB       ARG  13   1.586   7.358  13.471
  104   1HG   ARG  13          2HG       ARG  13   4.031   7.848  13.492
  105   2HG   ARG  13          1HG       ARG  13   4.036   7.905  11.737
  106   1HD   ARG  13          2HD       ARG  13   2.414   9.829  11.819
  107   2HD   ARG  13          1HD       ARG  13   2.445   9.752  13.575
  108    HE   ARG  13           HE       ARG  13   4.547  10.785  13.563
  109   1HH1  ARG  13          2HH1      ARG  13   3.755   9.620  10.394
  110   2HH1  ARG  13          1HH1      ARG  13   5.106  10.404   9.648
  111   1HH2  ARG  13          1HH2      ARG  13   6.260  11.780  12.638
  112   2HH2  ARG  13          2HH2      ARG  13   6.546  11.643  10.934
  113    H    ASN  14           H        ASN  14   1.638   5.282  14.742
  114    HA   ASN  14           HA       ASN  14   4.097   5.243  16.284
  115   1HB   ASN  14          2HB       ASN  14   1.906   6.095  17.154
  116   2HB   ASN  14          1HB       ASN  14   1.251   4.468  17.068
  117   1HD2  ASN  14          1HD2      ASN  14   3.999   6.262  18.547
  118   2HD2  ASN  14          2HD2      ASN  14   4.033   5.335  19.969
  119    H    HIS  15           H        HIS  15   2.859   2.969  14.259
  120    HA   HIS  15           HA       HIS  15   4.324   0.793  15.641
  121   1HB   HIS  15          2HB       HIS  15   1.827   0.720  16.254
  122   2HB   HIS  15          1HB       HIS  15   1.476   0.366  14.578
  123    HD1  HIS  15           HD1      HIS  15   3.673  -1.716  14.024
  124    HD2  HIS  15           HD2      HIS  15   1.479  -1.658  17.466
  125    HE1  HIS  15           HE1      HIS  15   3.777  -4.002  14.958
  126    H    LYS  16           H        LYS  16   2.123   0.747  12.905
  127    HA   LYS  16           HA       LYS  16   2.375   0.419  10.633
  128   1HB   LYS  16          2HB       LYS  16   4.377   2.107  11.000
  129   2HB   LYS  16          1HB       LYS  16   5.400   0.694  10.909
  130   1HG   LYS  16          2HG       LYS  16   4.564   0.110   8.695
  131   2HG   LYS  16          1HG       LYS  16   3.399   1.415   8.740
  132   1HD   LYS  16          2HD       LYS  16   6.434   1.735   8.766
  133   2HD   LYS  16          1HD       LYS  16   5.393   2.025   7.389
  134   1HE   LYS  16          2HE       LYS  16   5.418   3.628   9.993
  135   2HE   LYS  16          1HE       LYS  16   5.906   4.175   8.402
  136   1HZ   LYS  16          1HZ       LYS  16   3.794   5.001   8.628
  137   2HZ   LYS  16          2HZ       LYS  16   3.199   3.602   9.386
  138   3HZ   LYS  16          3HZ       LYS  16   3.539   3.587   7.721
  139    H    LYS  17           H        LYS  17   4.742  -1.242  12.629
  140    HA   LYS  17           HA       LYS  17   5.257  -3.405  10.836
  141   1HB   LYS  17          2HB       LYS  17   6.753  -2.732  12.716
  142   2HB   LYS  17          1HB       LYS  17   5.517  -3.168  13.870
  143   1HG   LYS  17          2HG       LYS  17   5.692  -5.563  13.148
  144   2HG   LYS  17          1HG       LYS  17   6.880  -5.112  11.942
  145   1HD   LYS  17          2HD       LYS  17   8.031  -6.016  13.896
  146   2HD   LYS  17          1HD       LYS  17   8.382  -4.303  13.799
  147   1HE   LYS  17          2HE       LYS  17   6.664  -3.834  15.537
  148   2HE   LYS  17          1HE       LYS  17   6.239  -5.540  15.590
  149   1HZ   LYS  17          1HZ       LYS  17   7.748  -4.882  17.359
  150   2HZ   LYS  17          2HZ       LYS  17   8.912  -4.425  16.210
  151   3HZ   LYS  17          3HZ       LYS  17   8.442  -6.052  16.342
  152    H    PHE  18           H        PHE  18   2.559  -2.659  12.746
  153    HA   PHE  18           HA       PHE  18   1.587  -5.248  13.423
  154   1HB   PHE  18          2HB       PHE  18   0.788  -2.780  14.021
  155   2HB   PHE  18          1HB       PHE  18  -0.201  -2.943  12.600
  156    HD1  PHE  18           HD1      PHE  18  -1.632  -5.276  12.513
  157    HD2  PHE  18           HD2      PHE  18  -0.079  -3.506  16.069
  158    HE1  PHE  18           HE1      PHE  18  -3.235  -6.548  13.859
  159    HE2  PHE  18           HE2      PHE  18  -1.690  -4.776  17.401
  160    HZ   PHE  18           HZ       PHE  18  -3.274  -6.301  16.302
  161    H    CYS  19           H        CYS  19   1.699  -3.339  10.608
  162    HA   CYS  19           HA       CYS  19   0.595  -5.529   8.899
  163   1HB   CYS  19          2HB       CYS  19  -0.593  -3.871   7.558
  164   2HB   CYS  19          1HB       CYS  19  -1.132  -3.843   9.204
  165   1HN   NH2  20          1HT       CYS  19   1.044  -4.089   6.417
  166   2HN   NH2  20          2HT       CYS  19   2.721  -3.900   6.233
  Start of MODEL   10
    1   1H    PHE   1          1H        PHE   1  -9.809  -3.974  18.341
    2   2H    PHE   1          2H        PHE   1  -9.168  -3.567  19.860
    3   3H    PHE   1          3H        PHE   1  -8.878  -5.106  19.201
    4    HA   PHE   1           HA       PHE   1  -7.863  -2.516  18.171
    5   1HB   PHE   1          2HB       PHE   1  -6.621  -3.430  20.157
    6   2HB   PHE   1          1HB       PHE   1  -6.498  -5.000  19.389
    7    HD1  PHE   1           HD1      PHE   1  -5.457  -1.429  19.051
    8    HD2  PHE   1           HD2      PHE   1  -4.711  -5.454  17.855
    9    HE1  PHE   1           HE1      PHE   1  -3.370  -0.730  17.973
   10    HE2  PHE   1           HE2      PHE   1  -2.629  -4.747  16.777
   11    HZ   PHE   1           HZ       PHE   1  -1.951  -2.385  16.832
   12    H    ASN   2           H        ASN   2  -6.885  -5.887  17.685
   13    HA   ASN   2           HA       ASN   2  -6.478  -7.021  15.590
   14   1HB   ASN   2          2HB       ASN   2  -9.032  -5.540  14.808
   15   2HB   ASN   2          1HB       ASN   2  -8.413  -7.042  14.141
   16   1HD2  ASN   2          1HD2      ASN   2  -8.756  -8.990  15.278
   17   2HD2  ASN   2          2HD2      ASN   2  -9.695  -9.077  16.690
   18    H    TRP   3           H        TRP   3  -7.420  -5.850  13.175
   19    HA   TRP   3           HA       TRP   3  -5.094  -4.151  12.495
   20   1HB   TRP   3          2HB       TRP   3  -6.872  -4.657  10.192
   21   2HB   TRP   3          1HB       TRP   3  -5.240  -5.248  10.444
   22    HD1  TRP   3           HD1      TRP   3  -5.022  -7.882  10.827
   23    HE1  TRP   3           HE1      TRP   3  -6.715  -9.627  11.370
   24    HE3  TRP   3           HE3      TRP   3  -9.094  -4.986  11.530
   25    HZ2  TRP   3           HZ2      TRP   3  -9.482  -9.894  12.061
   26    HZ3  TRP   3           HZ3      TRP   3 -11.261  -5.997  12.155
   27    HH2  TRP   3           HH2      TRP   3 -11.448  -8.447  12.427
   28    H    ARG   4           H        ARG   4  -7.851  -3.458  13.864
   29    HA   ARG   4           HA       ARG   4  -9.145  -1.524  12.259
   30   1HB   ARG   4          2HB       ARG   4  -8.767  -1.471  15.270
   31   2HB   ARG   4          1HB       ARG   4  -9.893  -0.483  14.386
   32   1HG   ARG   4          2HG       ARG   4 -10.999  -2.586  13.509
   33   2HG   ARG   4          1HG       ARG   4  -9.942  -3.540  14.523
   34   1HD   ARG   4          2HD       ARG   4 -11.985  -1.481  15.456
   35   2HD   ARG   4          1HD       ARG   4 -12.069  -3.223  15.698
   36    HE   ARG   4           HE       ARG   4  -9.672  -2.478  16.897
   37   1HH1  ARG   4          2HH1      ARG   4 -13.010  -1.585  17.167
   38   2HH1  ARG   4          1HH1      ARG   4 -12.884  -1.171  18.844
   39   1HH2  ARG   4          1HH2      ARG   4  -9.495  -1.952  19.036
   40   2HH2  ARG   4          2HH2      ARG   4 -10.876  -1.386  19.914
   41    H    CYS   5           H        CYS   5  -6.449  -1.410  14.371
   42    HA   CYS   5           HA       CYS   5  -5.880   1.429  14.144
   43   1HB   CYS   5          2HB       CYS   5  -4.887  -0.889  15.619
   44   2HB   CYS   5          1HB       CYS   5  -3.579   0.134  15.095
   45    H    CYS   6           H        CYS   6  -5.048  -1.371  12.368
   46    HA   CYS   6           HA       CYS   6  -2.626  -0.483  11.107
   47   1HB   CYS   6          2HB       CYS   6  -3.779  -2.830  11.174
   48   2HB   CYS   6          1HB       CYS   6  -4.705  -2.257   9.820
   49    H    LEU   7           H        LEU   7  -5.985   0.048  10.633
   50    HA   LEU   7           HA       LEU   7  -5.791   1.382   8.040
   51   1HB   LEU   7          2HB       LEU   7  -8.096   1.303  10.035
   52   2HB   LEU   7          1HB       LEU   7  -8.211   1.787   8.358
   53    HG   LEU   7           HG       LEU   7  -7.380  -1.011   9.275
   54   1HD1  LEU   7          1HD1      LEU   7  -9.649  -1.689   8.529
   55   2HD1  LEU   7          2HD1      LEU   7 -10.044  -0.014   8.176
   56   3HD1  LEU   7          3HD1      LEU   7  -9.747  -0.519   9.831
   57   1HD2  LEU   7          1HD2      LEU   7  -8.123   0.056   6.509
   58   2HD2  LEU   7          2HD2      LEU   7  -7.739  -1.615   6.890
   59   3HD2  LEU   7          3HD2      LEU   7  -6.500  -0.384   7.015
   60    H    ILE   8           H        ILE   8  -5.933   2.298  11.419
   61    HA   ILE   8           HA       ILE   8  -6.305   5.136  10.855
   62    HB   ILE   8           HB       ILE   8  -5.393   3.821  13.474
   63   1HG1  ILE   8          2HG1      ILE   8  -8.198   4.705  12.606
   64   2HG1  ILE   8          1HG1      ILE   8  -7.671   3.041  12.552
   65   1HG2  ILE   8          1HG2      ILE   8  -6.613   6.566  12.868
   66   2HG2  ILE   8          2HG2      ILE   8  -4.928   6.291  13.259
   67   3HG2  ILE   8          3HG2      ILE   8  -6.160   5.999  14.461
   68   1HD1  ILE   8          1HD1      ILE   8  -8.927   3.469  14.622
   69   2HD1  ILE   8          2HD1      ILE   8  -7.819   4.750  15.073
   70   3HD1  ILE   8          3HD1      ILE   8  -7.259   3.086  15.011
   71    HA   PRO   9           HA       PRO   9  -1.938   5.764  10.117
   72   1HB   PRO   9          2HB       PRO   9  -1.914   8.524  10.053
   73   2HB   PRO   9          1HB       PRO   9  -2.550   7.549   8.730
   74   1HG   PRO   9          2HG       PRO   9  -4.041   9.006  10.900
   75   2HG   PRO   9          1HG       PRO   9  -4.527   8.767   9.235
   76   1HD   PRO   9          2HD       PRO   9  -5.530   7.316  11.315
   77   2HD   PRO   9          1HD       PRO   9  -5.508   6.755   9.639
   78    H    ALA  10           H        ALA  10  -3.562   7.763  12.453
   79    HA   ALA  10           HA       ALA  10  -1.374   8.461  14.110
   80   1HB   ALA  10          1HB       ALA  10  -3.123   8.953  15.822
   81   2HB   ALA  10          2HB       ALA  10  -4.300   8.085  14.849
   82   3HB   ALA  10          3HB       ALA  10  -3.572   9.561  14.236
   83    H    CYS  11           H        CYS  11  -2.590   5.374  13.642
   84    HA   CYS  11           HA       CYS  11  -1.489   4.450  16.270
   85   1HB   CYS  11          2HB       CYS  11  -4.011   4.194  15.804
   86   2HB   CYS  11          1HB       CYS  11  -3.545   2.990  14.655
   87    H    ARG  12           H        ARG  12  -1.976   3.534  12.893
   88    HA   ARG  12           HA       ARG  12  -0.387   1.164  12.943
   89   1HB   ARG  12          2HB       ARG  12  -0.271   1.319  10.511
   90   2HB   ARG  12          1HB       ARG  12  -1.871   1.753  11.040
   91   1HG   ARG  12          2HG       ARG  12  -1.718   3.626   9.816
   92   2HG   ARG  12          1HG       ARG  12  -0.518   4.233  10.939
   93   1HD   ARG  12          2HD       ARG  12   0.077   2.511   8.495
   94   2HD   ARG  12          1HD       ARG  12   0.237   4.263   8.531
   95    HE   ARG  12           HE       ARG  12   1.821   3.546  10.618
   96   1HH1  ARG  12          2HH1      ARG  12   1.581   2.370   7.361
   97   2HH1  ARG  12          1HH1      ARG  12   3.252   1.927   7.288
   98   1HH2  ARG  12          1HH2      ARG  12   3.934   2.990  10.533
   99   2HH2  ARG  12          2HH2      ARG  12   4.600   2.284   9.099
  100    H    ARG  13           H        ARG  13   0.551   4.496  12.785
  101    HA   ARG  13           HA       ARG  13   3.251   4.141  11.850
  102   1HB   ARG  13          2HB       ARG  13   1.974   6.293  13.588
  103   2HB   ARG  13          1HB       ARG  13   3.593   6.419  12.918
  104   1HG   ARG  13          2HG       ARG  13   2.770   6.352  10.659
  105   2HG   ARG  13          1HG       ARG  13   1.154   5.919  11.153
  106   1HD   ARG  13          2HD       ARG  13   1.089   8.174  12.423
  107   2HD   ARG  13          1HD       ARG  13   2.590   8.579  11.605
  108    HE   ARG  13           HE       ARG  13  -0.072   8.426  10.405
  109   1HH1  ARG  13          2HH1      ARG  13   3.349   8.365   9.836
  110   2HH1  ARG  13          1HH1      ARG  13   3.192   8.852   8.183
  111   1HH2  ARG  13          1HH2      ARG  13  -0.291   9.034   8.325
  112   2HH2  ARG  13          2HH2      ARG  13   1.099   9.236   7.311
  113    H    ASN  14           H        ASN  14   1.698   4.029  14.962
  114    HA   ASN  14           HA       ASN  14   4.099   3.788  16.570
  115   1HB   ASN  14          2HB       ASN  14   1.257   2.848  17.239
  116   2HB   ASN  14          1HB       ASN  14   2.544   3.179  18.386
  117   1HD2  ASN  14          1HD2      ASN  14   2.833   5.336  19.066
  118   2HD2  ASN  14          2HD2      ASN  14   1.934   6.643  18.459
  119    H    HIS  15           H        HIS  15   1.895   1.679  14.936
  120    HA   HIS  15           HA       HIS  15   3.343  -0.791  15.763
  121   1HB   HIS  15          2HB       HIS  15   0.791  -0.512  14.098
  122   2HB   HIS  15          1HB       HIS  15   1.387  -1.972  14.875
  123    HD1  HIS  15           HD1      HIS  15   1.852  -1.138  17.666
  124    HD2  HIS  15           HD2      HIS  15  -1.331   0.340  15.584
  125    HE1  HIS  15           HE1      HIS  15   0.216  -0.373  19.349
  126    H    LYS  16           H        LYS  16   4.392   1.272  14.040
  127    HA   LYS  16           HA       LYS  16   4.495   1.279  11.443
  128   1HB   LYS  16          2HB       LYS  16   7.164   1.154  11.725
  129   2HB   LYS  16          1HB       LYS  16   6.201   2.501  12.265
  130   1HG   LYS  16          2HG       LYS  16   7.860   1.829  13.954
  131   2HG   LYS  16          1HG       LYS  16   6.238   1.674  14.578
  132   1HD   LYS  16          2HD       LYS  16   6.280  -0.734  14.327
  133   2HD   LYS  16          1HD       LYS  16   7.809  -0.689  13.454
  134   1HE   LYS  16          2HE       LYS  16   7.340   0.175  16.350
  135   2HE   LYS  16          1HE       LYS  16   8.088  -1.335  15.851
  136   1HZ   LYS  16          1HZ       LYS  16   9.696   0.192  14.589
  137   2HZ   LYS  16          2HZ       LYS  16   9.875   0.007  16.269
  138   3HZ   LYS  16          3HZ       LYS  16   9.132   1.400  15.641
  139    H    LYS  17           H        LYS  17   5.772  -1.640  12.976
  140    HA   LYS  17           HA       LYS  17   6.475  -2.696  10.318
  141   1HB   LYS  17          2HB       LYS  17   8.051  -3.012  12.290
  142   2HB   LYS  17          1HB       LYS  17   6.794  -3.889  13.123
  143   1HG   LYS  17          2HG       LYS  17   8.411  -5.463  12.133
  144   2HG   LYS  17          1HG       LYS  17   6.835  -5.677  11.415
  145   1HD   LYS  17          2HD       LYS  17   8.595  -5.742   9.686
  146   2HD   LYS  17          1HD       LYS  17   7.546  -4.373   9.412
  147   1HE   LYS  17          2HE       LYS  17   9.946  -3.760   9.148
  148   2HE   LYS  17          1HE       LYS  17   9.238  -2.863  10.478
  149   1HZ   LYS  17          1HZ       LYS  17  11.467  -3.955  10.853
  150   2HZ   LYS  17          2HZ       LYS  17  10.630  -5.432  10.901
  151   3HZ   LYS  17          3HZ       LYS  17  10.275  -4.220  12.035
  152    H    PHE  18           H        PHE  18   4.394  -3.487  12.985
  153    HA   PHE  18           HA       PHE  18   3.150  -5.798  11.899
  154   1HB   PHE  18          2HB       PHE  18   2.952  -4.840  14.234
  155   2HB   PHE  18          1HB       PHE  18   1.863  -3.642  13.601
  156    HD1  PHE  18           HD1      PHE  18  -0.434  -4.102  13.210
  157    HD2  PHE  18           HD2      PHE  18   2.231  -7.340  13.981
  158    HE1  PHE  18           HE1      PHE  18  -2.341  -5.632  13.383
  159    HE2  PHE  18           HE2      PHE  18   0.318  -8.866  14.154
  160    HZ   PHE  18           HZ       PHE  18  -1.971  -8.016  13.855
  161    H    CYS  19           H        CYS  19   2.913  -2.534  11.341
  162    HA   CYS  19           HA       CYS  19   1.299  -2.717   8.898
  163   1HB   CYS  19          2HB       CYS  19   0.158  -1.454  11.388
  164   2HB   CYS  19          1HB       CYS  19  -0.429  -1.084   9.786
  165   1HN   NH2  20          1HT       CYS  19   2.139  -0.240  11.382
  166   2HN   NH2  20          2HT       CYS  19   2.919   0.809  10.303
  Start of MODEL   11
    1   1H    PHE   1          1H        PHE   1  -8.003  -5.666  18.282
    2   2H    PHE   1          2H        PHE   1  -8.943  -4.297  17.923
    3   3H    PHE   1          3H        PHE   1  -8.132  -4.403  19.413
    4    HA   PHE   1           HA       PHE   1  -7.100  -2.923  17.679
    5   1HB   PHE   1          2HB       PHE   1  -5.803  -3.723  19.655
    6   2HB   PHE   1          1HB       PHE   1  -5.553  -5.288  18.911
    7    HD1  PHE   1           HD1      PHE   1  -4.900  -1.640  18.225
    8    HD2  PHE   1           HD2      PHE   1  -3.532  -5.653  17.769
    9    HE1  PHE   1           HE1      PHE   1  -2.824  -0.825  17.200
   10    HE2  PHE   1           HE2      PHE   1  -1.464  -4.828  16.749
   11    HZ   PHE   1           HZ       PHE   1  -1.104  -2.420  16.460
   12    H    ASN   2           H        ASN   2  -5.481  -5.996  17.053
   13    HA   ASN   2           HA       ASN   2  -4.901  -6.943  14.905
   14   1HB   ASN   2          2HB       ASN   2  -7.744  -6.039  14.229
   15   2HB   ASN   2          1HB       ASN   2  -6.819  -7.321  13.467
   16   1HD2  ASN   2          1HD2      ASN   2  -6.926  -9.375  14.350
   17   2HD2  ASN   2          2HD2      ASN   2  -7.699  -9.743  15.816
   18    H    TRP   3           H        TRP   3  -6.155  -5.871  12.573
   19    HA   TRP   3           HA       TRP   3  -4.278  -3.662  11.970
   20   1HB   TRP   3          2HB       TRP   3  -5.982  -4.416   9.669
   21   2HB   TRP   3          1HB       TRP   3  -4.248  -4.626   9.837
   22    HD1  TRP   3           HD1      TRP   3  -3.406  -7.155  10.082
   23    HE1  TRP   3           HE1      TRP   3  -4.638  -9.273  10.539
   24    HE3  TRP   3           HE3      TRP   3  -8.024  -5.327  10.986
   25    HZ2  TRP   3           HZ2      TRP   3  -7.253 -10.212  11.237
   26    HZ3  TRP   3           HZ3      TRP   3  -9.883  -6.850  11.569
   27    HH2  TRP   3           HH2      TRP   3  -9.491  -9.284  11.701
   28    H    ARG   4           H        ARG   4  -7.159  -3.777  13.332
   29    HA   ARG   4           HA       ARG   4  -8.793  -1.978  11.866
   30   1HB   ARG   4          2HB       ARG   4  -8.599  -2.252  14.891
   31   2HB   ARG   4          1HB       ARG   4  -9.893  -1.495  14.025
   32   1HG   ARG   4          2HG       ARG   4  -9.119  -4.439  13.738
   33   2HG   ARG   4          1HG       ARG   4 -10.447  -3.854  14.717
   34   1HD   ARG   4          2HD       ARG   4 -11.537  -2.923  12.661
   35   2HD   ARG   4          1HD       ARG   4 -10.209  -3.558  11.687
   36    HE   ARG   4           HE       ARG   4 -11.288  -5.669  13.274
   37   1HH1  ARG   4          2HH1      ARG   4 -12.028  -3.636  10.568
   38   2HH1  ARG   4          1HH1      ARG   4 -13.053  -4.812   9.819
   39   1HH2  ARG   4          1HH2      ARG   4 -12.580  -7.174  12.345
   40   2HH2  ARG   4          2HH2      ARG   4 -13.373  -6.847  10.839
   41    H    CYS   5           H        CYS   5  -6.295  -1.618  14.141
   42    HA   CYS   5           HA       CYS   5  -6.337   1.277  14.381
   43   1HB   CYS   5          2HB       CYS   5  -5.309  -0.820  15.831
   44   2HB   CYS   5          1HB       CYS   5  -3.872  -0.149  15.130
   45    H    CYS   6           H        CYS   6  -4.881  -1.072  12.321
   46    HA   CYS   6           HA       CYS   6  -2.684   0.481  11.283
   47   1HB   CYS   6          2HB       CYS   6  -3.028  -1.996  10.970
   48   2HB   CYS   6          1HB       CYS   6  -4.234  -1.642   9.769
   49    H    LEU   7           H        LEU   7  -6.072   0.531  10.836
   50    HA   LEU   7           HA       LEU   7  -6.118   1.917   8.258
   51   1HB   LEU   7          2HB       LEU   7  -8.325   1.642  10.351
   52   2HB   LEU   7          1HB       LEU   7  -8.548   2.104   8.679
   53    HG   LEU   7           HG       LEU   7  -7.472  -0.608   9.578
   54   1HD1  LEU   7          1HD1      LEU   7 -10.233   0.164   8.546
   55   2HD1  LEU   7          2HD1      LEU   7  -9.852  -0.306  10.196
   56   3HD1  LEU   7          3HD1      LEU   7  -9.696  -1.472   8.895
   57   1HD2  LEU   7          1HD2      LEU   7  -8.357   0.374   6.826
   58   2HD2  LEU   7          2HD2      LEU   7  -7.846  -1.261   7.208
   59   3HD2  LEU   7          3HD2      LEU   7  -6.696   0.057   7.297
   60    H    ILE   8           H        ILE   8  -5.610   2.708  11.488
   61    HA   ILE   8           HA       ILE   8  -6.414   5.537  11.239
   62    HB   ILE   8           HB       ILE   8  -4.884   4.305  13.549
   63   1HG1  ILE   8          2HG1      ILE   8  -6.816   2.846  13.229
   64   2HG1  ILE   8          1HG1      ILE   8  -6.990   3.771  14.704
   65   1HG2  ILE   8          1HG2      ILE   8  -6.768   6.685  13.355
   66   2HG2  ILE   8          2HG2      ILE   8  -5.026   6.738  13.527
   67   3HG2  ILE   8          3HG2      ILE   8  -6.009   6.133  14.840
   68   1HD1  ILE   8          1HD1      ILE   8  -9.091   3.634  13.472
   69   2HD1  ILE   8          2HD1      ILE   8  -8.341   4.326  12.042
   70   3HD1  ILE   8          3HD1      ILE   8  -8.542   5.305  13.497
   71    HA   PRO   9           HA       PRO   9  -2.140   6.404  10.135
   72   1HB   PRO   9          2HB       PRO   9  -2.195   9.154  10.257
   73   2HB   PRO   9          1HB       PRO   9  -2.962   8.263   8.942
   74   1HG   PRO   9          2HG       PRO   9  -4.235   9.490  11.387
   75   2HG   PRO   9          1HG       PRO   9  -4.895   9.397   9.768
   76   1HD   PRO   9          2HD       PRO   9  -5.638   7.720  11.792
   77   2HD   PRO   9          1HD       PRO   9  -5.792   7.326  10.076
   78    H    ALA  10           H        ALA  10  -3.635   8.012  12.816
   79    HA   ALA  10           HA       ALA  10  -1.250   8.641  14.283
   80   1HB   ALA  10          1HB       ALA  10  -2.827   9.054  16.169
   81   2HB   ALA  10          2HB       ALA  10  -4.112   8.287  15.249
   82   3HB   ALA  10          3HB       ALA  10  -3.394   9.784  14.677
   83    H    CYS  11           H        CYS  11  -2.598   5.635  13.683
   84    HA   CYS  11           HA       CYS  11  -1.332   4.483  16.146
   85   1HB   CYS  11          2HB       CYS  11  -3.890   4.246  15.837
   86   2HB   CYS  11          1HB       CYS  11  -3.485   3.163  14.560
   87    H    ARG  12           H        ARG  12  -2.038   3.893  12.744
   88    HA   ARG  12           HA       ARG  12  -0.664   1.455  12.397
   89   1HB   ARG  12          2HB       ARG  12  -0.422   1.995  10.044
   90   2HB   ARG  12          1HB       ARG  12  -1.962   2.622  10.588
   91   1HG   ARG  12          2HG       ARG  12  -0.916   4.896  10.861
   92   2HG   ARG  12          1HG       ARG  12   0.608   4.260  10.282
   93   1HD   ARG  12          2HD       ARG  12  -0.474   5.382   8.502
   94   2HD   ARG  12          1HD       ARG  12  -0.331   3.663   8.151
   95    HE   ARG  12           HE       ARG  12  -2.773   3.546   9.063
   96   1HH1  ARG  12          2HH1      ARG  12  -1.476   6.289   7.349
   97   2HH1  ARG  12          1HH1      ARG  12  -3.033   6.776   6.778
   98   1HH2  ARG  12          1HH2      ARG  12  -4.705   4.156   8.343
   99   2HH2  ARG  12          2HH2      ARG  12  -4.888   5.560   7.344
  100    H    ARG  13           H        ARG  13   0.570   4.683  12.528
  101    HA   ARG  13           HA       ARG  13   3.228   4.137  11.724
  102   1HB   ARG  13          2HB       ARG  13   2.268   6.420  11.779
  103   2HB   ARG  13          1HB       ARG  13   2.135   6.350  13.522
  104   1HG   ARG  13          2HG       ARG  13   4.122   7.647  12.910
  105   2HG   ARG  13          1HG       ARG  13   4.628   6.173  13.702
  106   1HD   ARG  13          2HD       ARG  13   5.061   5.146  11.410
  107   2HD   ARG  13          1HD       ARG  13   4.598   6.680  10.687
  108    HE   ARG  13           HE       ARG  13   6.657   7.584  11.354
  109   1HH1  ARG  13          2HH1      ARG  13   6.054   4.576  12.971
  110   2HH1  ARG  13          1HH1      ARG  13   7.651   4.485  13.634
  111   1HH2  ARG  13          1HH2      ARG  13   8.681   7.485  12.184
  112   2HH2  ARG  13          2HH2      ARG  13   9.159   6.155  13.183
  113    H    ASN  14           H        ASN  14   1.681   4.295  14.873
  114    HA   ASN  14           HA       ASN  14   3.913   3.917  16.568
  115   1HB   ASN  14          2HB       ASN  14   1.640   4.600  17.352
  116   2HB   ASN  14          1HB       ASN  14   1.034   2.988  17.005
  117   1HD2  ASN  14          1HD2      ASN  14   3.243   4.806  19.115
  118   2HD2  ASN  14          2HD2      ASN  14   3.348   3.609  20.315
  119    H    HIS  15           H        HIS  15   1.993   1.603  14.795
  120    HA   HIS  15           HA       HIS  15   3.887  -0.573  15.607
  121   1HB   HIS  15          2HB       HIS  15   1.964  -2.148  15.648
  122   2HB   HIS  15          1HB       HIS  15   1.688  -0.839  16.773
  123    HD1  HIS  15           HD1      HIS  15   0.506  -1.955  13.400
  124    HD2  HIS  15           HD2      HIS  15  -0.553   0.720  16.293
  125    HE1  HIS  15           HE1      HIS  15  -1.702  -1.080  12.755
  126    H    LYS  16           H        LYS  16   4.311   1.019  13.498
  127    HA   LYS  16           HA       LYS  16   3.258   0.397  11.019
  128   1HB   LYS  16          2HB       LYS  16   4.894   2.225  11.484
  129   2HB   LYS  16          1HB       LYS  16   6.162   1.036  11.687
  130   1HG   LYS  16          2HG       LYS  16   6.292   2.009   9.441
  131   2HG   LYS  16          1HG       LYS  16   5.868   0.319   9.305
  132   1HD   LYS  16          2HD       LYS  16   3.422   1.017   9.072
  133   2HD   LYS  16          1HD       LYS  16   3.939   2.692   9.135
  134   1HE   LYS  16          2HE       LYS  16   3.644   1.976   6.797
  135   2HE   LYS  16          1HE       LYS  16   5.353   2.271   7.092
  136   1HZ   LYS  16          1HZ       LYS  16   4.682   0.142   5.907
  137   2HZ   LYS  16          2HZ       LYS  16   4.191  -0.416   7.435
  138   3HZ   LYS  16          3HZ       LYS  16   5.811   0.021   7.171
  139    H    LYS  17           H        LYS  17   5.443  -1.512  12.922
  140    HA   LYS  17           HA       LYS  17   6.137  -3.268  10.718
  141   1HB   LYS  17          2HB       LYS  17   7.697  -2.890  12.673
  142   2HB   LYS  17          1HB       LYS  17   6.491  -3.538  13.757
  143   1HG   LYS  17          2HG       LYS  17   8.159  -5.237  13.438
  144   2HG   LYS  17          1HG       LYS  17   6.720  -5.780  12.619
  145   1HD   LYS  17          2HD       LYS  17   8.846  -4.281  11.057
  146   2HD   LYS  17          1HD       LYS  17   9.114  -5.959  11.459
  147   1HE   LYS  17          2HE       LYS  17   6.753  -4.912   9.813
  148   2HE   LYS  17          1HE       LYS  17   8.146  -5.782   9.221
  149   1HZ   LYS  17          1HZ       LYS  17   7.263  -7.396  11.177
  150   2HZ   LYS  17          2HZ       LYS  17   6.911  -7.564   9.524
  151   3HZ   LYS  17          3HZ       LYS  17   5.813  -6.773  10.550
  152    H    PHE  18           H        PHE  18   4.005  -3.346  13.454
  153    HA   PHE  18           HA       PHE  18   2.963  -5.979  13.149
  154   1HB   PHE  18          2HB       PHE  18   2.541  -4.359  15.052
  155   2HB   PHE  18          1HB       PHE  18   1.448  -3.493  14.011
  156    HD1  PHE  18           HD1      PHE  18   1.862  -6.659  15.866
  157    HD2  PHE  18           HD2      PHE  18  -0.708  -4.386  13.333
  158    HE1  PHE  18           HE1      PHE  18   0.002  -8.173  16.383
  159    HE2  PHE  18           HE2      PHE  18  -2.560  -5.905  13.852
  160    HZ   PHE  18           HZ       PHE  18  -2.212  -7.800  15.378
  161    H    CYS  19           H        CYS  19   2.528  -3.039  11.598
  162    HA   CYS  19           HA       CYS  19   1.296  -4.064   9.194
  163   1HB   CYS  19          2HB       CYS  19  -0.665  -4.134  10.860
  164   2HB   CYS  19          1HB       CYS  19  -0.549  -2.411  10.916
  165   1HN   NH2  20          1HT       CYS  19   2.279  -2.673   7.733
  166   2HN   NH2  20          2HT       CYS  19   2.459  -0.997   7.939
  Start of MODEL   12
    1   1H    PHE   1          1H        PHE   1 -10.106  -4.858  17.470
    2   2H    PHE   1          2H        PHE   1  -9.461  -5.448  18.927
    3   3H    PHE   1          3H        PHE   1  -9.333  -6.370  17.505
    4    HA   PHE   1           HA       PHE   1  -8.183  -3.680  17.565
    5   1HB   PHE   1          2HB       PHE   1  -7.252  -4.736  19.607
    6   2HB   PHE   1          1HB       PHE   1  -6.967  -6.242  18.756
    7    HD1  PHE   1           HD1      PHE   1  -4.685  -6.607  18.484
    8    HD2  PHE   1           HD2      PHE   1  -6.135  -2.627  17.992
    9    HE1  PHE   1           HE1      PHE   1  -2.432  -5.857  17.893
   10    HE2  PHE   1           HE2      PHE   1  -3.870  -1.887  17.398
   11    HZ   PHE   1           HZ       PHE   1  -2.017  -3.496  17.346
   12    H    ASN   2           H        ASN   2  -6.470  -6.674  16.838
   13    HA   ASN   2           HA       ASN   2  -5.593  -7.388  14.703
   14   1HB   ASN   2          2HB       ASN   2  -8.268  -6.331  13.656
   15   2HB   ASN   2          1HB       ASN   2  -7.254  -7.582  12.962
   16   1HD2  ASN   2          1HD2      ASN   2  -9.350  -6.863  15.739
   17   2HD2  ASN   2          2HD2      ASN   2  -9.648  -8.487  16.138
   18    H    TRP   3           H        TRP   3  -6.334  -6.104  12.318
   19    HA   TRP   3           HA       TRP   3  -4.406  -3.878  12.275
   20   1HB   TRP   3          2HB       TRP   3  -5.758  -4.304   9.678
   21   2HB   TRP   3          1HB       TRP   3  -4.075  -4.589  10.080
   22    HD1  TRP   3           HD1      TRP   3  -3.321  -7.162  10.184
   23    HE1  TRP   3           HE1      TRP   3  -4.647  -9.272  10.189
   24    HE3  TRP   3           HE3      TRP   3  -7.990  -5.280  10.529
   25    HZ2  TRP   3           HZ2      TRP   3  -7.357 -10.188  10.345
   26    HZ3  TRP   3           HZ3      TRP   3  -9.947  -6.785  10.629
   27    HH2  TRP   3           HH2      TRP   3  -9.624  -9.235  10.548
   28    H    ARG   4           H        ARG   4  -7.470  -4.016  13.177
   29    HA   ARG   4           HA       ARG   4  -8.892  -2.066  11.720
   30   1HB   ARG   4          2HB       ARG   4  -9.000  -2.608  14.706
   31   2HB   ARG   4          1HB       ARG   4 -10.152  -1.673  13.812
   32   1HG   ARG   4          2HG       ARG   4 -10.875  -3.568  12.487
   33   2HG   ARG   4          1HG       ARG   4  -9.542  -4.559  13.036
   34   1HD   ARG   4          2HD       ARG   4 -11.735  -5.114  14.137
   35   2HD   ARG   4          1HD       ARG   4 -10.499  -4.700  15.302
   36    HE   ARG   4           HE       ARG   4 -12.823  -3.016  14.511
   37   1HH1  ARG   4          2HH1      ARG   4  -9.976  -3.450  16.468
   38   2HH1  ARG   4          1HH1      ARG   4 -10.415  -2.183  17.560
   39   1HH2  ARG   4          1HH2      ARG   4 -13.371  -1.416  15.887
   40   2HH2  ARG   4          2HH2      ARG   4 -12.353  -1.016  17.229
   41    H    CYS   5           H        CYS   5  -6.595  -1.882  14.241
   42    HA   CYS   5           HA       CYS   5  -6.687   0.947  14.810
   43   1HB   CYS   5          2HB       CYS   5  -5.726  -1.030  16.159
   44   2HB   CYS   5          1HB       CYS   5  -4.311  -0.863  15.177
   45    H    CYS   6           H        CYS   6  -4.763  -1.110  12.726
   46    HA   CYS   6           HA       CYS   6  -2.889   0.803  11.771
   47   1HB   CYS   6          2HB       CYS   6  -4.055  -1.554  10.259
   48   2HB   CYS   6          1HB       CYS   6  -2.645  -0.665   9.786
   49    H    LEU   7           H        LEU   7  -6.212   0.812  11.279
   50    HA   LEU   7           HA       LEU   7  -6.218   1.996   8.595
   51   1HB   LEU   7          2HB       LEU   7  -8.404   1.982  10.742
   52   2HB   LEU   7          1HB       LEU   7  -8.639   2.354   9.049
   53    HG   LEU   7           HG       LEU   7  -7.689  -0.358  10.107
   54   1HD1  LEU   7          1HD1      LEU   7 -10.051   0.121  10.722
   55   2HD1  LEU   7          2HD1      LEU   7  -9.966  -1.137   9.501
   56   3HD1  LEU   7          3HD1      LEU   7 -10.418   0.499   9.046
   57   1HD2  LEU   7          1HD2      LEU   7  -8.131  -1.141   7.794
   58   2HD2  LEU   7          2HD2      LEU   7  -6.912   0.116   7.777
   59   3HD2  LEU   7          3HD2      LEU   7  -8.562   0.490   7.307
   60    H    ILE   8           H        ILE   8  -6.168   2.959  11.922
   61    HA   ILE   8           HA       ILE   8  -6.490   5.819  11.421
   62    HB   ILE   8           HB       ILE   8  -5.511   4.334  13.939
   63   1HG1  ILE   8          2HG1      ILE   8  -7.759   4.990  14.902
   64   2HG1  ILE   8          1HG1      ILE   8  -8.243   5.582  13.330
   65   1HG2  ILE   8          1HG2      ILE   8  -4.698   6.700  13.820
   66   2HG2  ILE   8          2HG2      ILE   8  -5.876   6.510  15.102
   67   3HG2  ILE   8          3HG2      ILE   8  -6.352   7.245  13.587
   68   1HD1  ILE   8          1HD1      ILE   8  -7.527   2.698  13.961
   69   2HD1  ILE   8          2HD1      ILE   8  -8.100   3.284  12.407
   70   3HD1  ILE   8          3HD1      ILE   8  -9.152   3.333  13.795
   71    HA   PRO   9           HA       PRO   9  -2.316   6.022  10.039
   72   1HB   PRO   9          2HB       PRO   9  -1.872   8.748  10.107
   73   2HB   PRO   9          1HB       PRO   9  -2.910   7.979   8.909
   74   1HG   PRO   9          2HG       PRO   9  -3.685   9.451  11.417
   75   2HG   PRO   9          1HG       PRO   9  -4.532   9.419   9.883
   76   1HD   PRO   9          2HD       PRO   9  -5.298   7.974  12.051
   77   2HD   PRO   9          1HD       PRO   9  -5.698   7.521  10.391
   78    H    ALA  10           H        ALA  10  -3.170   7.712  12.919
   79    HA   ALA  10           HA       ALA  10  -0.564   8.121  14.031
   80   1HB   ALA  10          1HB       ALA  10  -1.791   8.470  16.169
   81   2HB   ALA  10          2HB       ALA  10  -3.244   7.806  15.436
   82   3HB   ALA  10          3HB       ALA  10  -2.568   9.313  14.838
   83    H    CYS  11           H        CYS  11  -2.679   5.357  14.033
   84    HA   CYS  11           HA       CYS  11  -1.149   3.913  16.095
   85   1HB   CYS  11          2HB       CYS  11  -3.624   3.576  15.738
   86   2HB   CYS  11          1HB       CYS  11  -3.239   2.859  14.205
   87    H    ARG  12           H        ARG  12  -1.788   3.743  12.686
   88    HA   ARG  12           HA       ARG  12  -0.172   1.511  11.985
   89   1HB   ARG  12          2HB       ARG  12  -1.916   3.049  10.621
   90   2HB   ARG  12          1HB       ARG  12  -0.473   3.893  10.123
   91   1HG   ARG  12          2HG       ARG  12  -0.978   0.913   9.751
   92   2HG   ARG  12          1HG       ARG  12  -1.203   2.123   8.512
   93   1HD   ARG  12          2HD       ARG  12   1.266   2.662   8.624
   94   2HD   ARG  12          1HD       ARG  12   1.447   1.383   9.820
   95    HE   ARG  12           HE       ARG  12   1.317  -0.202   8.145
   96   1HH1  ARG  12          2HH1      ARG  12   0.085   2.822   6.991
   97   2HH1  ARG  12          1HH1      ARG  12  -0.074   2.262   5.360
   98   1HH2  ARG  12          1HH2      ARG  12   1.124  -0.933   6.099
   99   2HH2  ARG  12          2HH2      ARG  12   0.523   0.101   4.846
  100    H    ARG  13           H        ARG  13   0.504   4.879  12.510
  101    HA   ARG  13           HA       ARG  13   3.295   4.751  11.644
  102   1HB   ARG  13          2HB       ARG  13   1.933   6.851  11.530
  103   2HB   ARG  13          1HB       ARG  13   1.824   6.870  13.281
  104   1HG   ARG  13          2HG       ARG  13   4.304   7.063  13.432
  105   2HG   ARG  13          1HG       ARG  13   4.421   6.987  11.682
  106   1HD   ARG  13          2HD       ARG  13   3.044   9.100  11.536
  107   2HD   ARG  13          1HD       ARG  13   2.998   9.153  13.294
  108    HE   ARG  13           HE       ARG  13   5.217   9.905  13.306
  109   1HH1  ARG  13          2HH1      ARG  13   4.394   8.611  10.196
  110   2HH1  ARG  13          1HH1      ARG  13   5.864   9.152   9.459
  111   1HH2  ARG  13          1HH2      ARG  13   7.079  10.596  12.393
  112   2HH2  ARG  13          2HH2      ARG  13   7.407  10.291  10.718
  113    H    ASN  14           H        ASN  14   1.529   4.721  14.683
  114    HA   ASN  14           HA       ASN  14   3.750   4.772  16.466
  115   1HB   ASN  14          2HB       ASN  14   1.431   5.204  17.214
  116   2HB   ASN  14          1HB       ASN  14   0.979   3.546  16.842
  117   1HD2  ASN  14          1HD2      ASN  14   3.688   5.108  18.660
  118   2HD2  ASN  14          2HD2      ASN  14   3.528   4.114  20.028
  119    H    HIS  15           H        HIS  15   2.282   2.168  14.697
  120    HA   HIS  15           HA       HIS  15   3.985   0.139  16.067
  121   1HB   HIS  15          2HB       HIS  15   1.673  -0.238  14.104
  122   2HB   HIS  15          1HB       HIS  15   2.541  -1.512  14.950
  123    HD1  HIS  15           HD1      HIS  15  -0.421  -1.190  15.449
  124    HD2  HIS  15           HD2      HIS  15   2.355   0.633  17.824
  125    HE1  HIS  15           HE1      HIS  15  -1.535  -0.740  17.602
  126    H    LYS  16           H        LYS  16   2.843   0.663  12.806
  127    HA   LYS  16           HA       LYS  16   3.862   0.837  10.732
  128   1HB   LYS  16          2HB       LYS  16   5.737   2.056  12.037
  129   2HB   LYS  16          1HB       LYS  16   6.574   0.527  12.141
  130   1HG   LYS  16          2HG       LYS  16   5.795   1.794   9.505
  131   2HG   LYS  16          1HG       LYS  16   7.344   2.033  10.281
  132   1HD   LYS  16          2HD       LYS  16   7.659  -0.519  10.217
  133   2HD   LYS  16          1HD       LYS  16   6.215  -0.599   9.225
  134   1HE   LYS  16          2HE       LYS  16   8.175  -0.570   7.775
  135   2HE   LYS  16          1HE       LYS  16   7.241   0.899   7.543
  136   1HZ   LYS  16          1HZ       LYS  16   9.691   1.188   7.761
  137   2HZ   LYS  16          2HZ       LYS  16   9.544   0.730   9.391
  138   3HZ   LYS  16          3HZ       LYS  16   8.760   2.127   8.827
  139    H    LYS  17           H        LYS  17   5.759  -1.374  12.712
  140    HA   LYS  17           HA       LYS  17   5.942  -3.366  10.646
  141   1HB   LYS  17          2HB       LYS  17   7.021  -4.747  12.463
  142   2HB   LYS  17          1HB       LYS  17   7.665  -3.120  12.410
  143   1HG   LYS  17          2HG       LYS  17   5.958  -2.518  14.271
  144   2HG   LYS  17          1HG       LYS  17   5.594  -4.224  14.367
  145   1HD   LYS  17          2HD       LYS  17   7.204  -3.674  16.101
  146   2HD   LYS  17          1HD       LYS  17   7.965  -4.720  14.922
  147   1HE   LYS  17          2HE       LYS  17   9.430  -2.792  15.607
  148   2HE   LYS  17          1HE       LYS  17   9.113  -2.778  13.885
  149   1HZ   LYS  17          1HZ       LYS  17   7.466  -1.258  15.812
  150   2HZ   LYS  17          2HZ       LYS  17   7.555  -1.068  14.128
  151   3HZ   LYS  17          3HZ       LYS  17   8.871  -0.616  15.103
  152    H    PHE  18           H        PHE  18   3.844  -3.008  13.395
  153    HA   PHE  18           HA       PHE  18   2.604  -5.589  13.280
  154   1HB   PHE  18          2HB       PHE  18   2.328  -3.819  15.089
  155   2HB   PHE  18          1HB       PHE  18   1.265  -2.955  14.006
  156    HD1  PHE  18           HD1      PHE  18   1.543  -6.052  16.020
  157    HD2  PHE  18           HD2      PHE  18  -0.937  -3.764  13.415
  158    HE1  PHE  18           HE1      PHE  18  -0.387  -7.449  16.615
  159    HE2  PHE  18           HE2      PHE  18  -2.854  -5.160  14.008
  160    HZ   PHE  18           HZ       PHE  18  -2.589  -7.007  15.612
  161    H    CYS  19           H        CYS  19   2.435  -2.744  11.553
  162    HA   CYS  19           HA       CYS  19   0.177  -3.655   9.790
  163   1HB   CYS  19          2HB       CYS  19   1.312  -0.872  10.062
  164   2HB   CYS  19          1HB       CYS  19  -0.197  -1.327   9.309
  165   1HN   NH2  20          1HT       CYS  19   0.973  -1.742   7.649
  166   2HN   NH2  20          2HT       CYS  19   2.341  -2.417   6.908
  Start of MODEL   13
    1   1H    PHE   1          1H        PHE   1  -9.384  -6.306  17.822
    2   2H    PHE   1          2H        PHE   1 -10.256  -4.947  17.296
    3   3H    PHE   1          3H        PHE   1  -9.825  -5.099  18.933
    4    HA   PHE   1           HA       PHE   1  -8.460  -3.519  17.552
    5   1HB   PHE   1          2HB       PHE   1  -7.664  -4.332  19.760
    6   2HB   PHE   1          1HB       PHE   1  -7.187  -5.871  19.072
    7    HD1  PHE   1           HD1      PHE   1  -6.568  -2.271  18.084
    8    HD2  PHE   1           HD2      PHE   1  -4.864  -6.066  19.022
    9    HE1  PHE   1           HE1      PHE   1  -4.328  -1.387  17.633
   10    HE2  PHE   1           HE2      PHE   1  -2.630  -5.169  18.572
   11    HZ   PHE   1           HZ       PHE   1  -2.355  -2.829  17.871
   12    H    ASN   2           H        ASN   2  -6.617  -6.513  17.282
   13    HA   ASN   2           HA       ASN   2  -5.532  -7.443  15.355
   14   1HB   ASN   2          2HB       ASN   2  -8.012  -6.401  13.882
   15   2HB   ASN   2          1HB       ASN   2  -6.936  -7.697  13.397
   16   1HD2  ASN   2          1HD2      ASN   2  -7.363  -9.767  14.119
   17   2HD2  ASN   2          2HD2      ASN   2  -8.560 -10.150  15.259
   18    H    TRP   3           H        TRP   3  -5.810  -6.408  12.798
   19    HA   TRP   3           HA       TRP   3  -3.772  -4.310  12.772
   20   1HB   TRP   3          2HB       TRP   3  -4.838  -4.884  10.088
   21   2HB   TRP   3          1HB       TRP   3  -3.256  -5.273  10.734
   22    HD1  TRP   3           HD1      TRP   3  -2.770  -7.863  11.119
   23    HE1  TRP   3           HE1      TRP   3  -4.272  -9.849  11.155
   24    HE3  TRP   3           HE3      TRP   3  -7.276  -5.590  10.779
   25    HZ2  TRP   3           HZ2      TRP   3  -7.040 -10.529  11.087
   26    HZ3  TRP   3           HZ3      TRP   3  -9.352  -6.945  10.794
   27    HH2  TRP   3           HH2      TRP   3  -9.228  -9.398  10.956
   28    H    ARG   4           H        ARG   4  -6.803  -3.943  13.495
   29    HA   ARG   4           HA       ARG   4  -7.953  -2.184  11.631
   30   1HB   ARG   4          2HB       ARG   4  -8.229  -2.340  14.649
   31   2HB   ARG   4          1HB       ARG   4  -9.135  -1.186  13.715
   32   1HG   ARG   4          2HG       ARG   4  -9.185  -4.152  13.025
   33   2HG   ARG   4          1HG       ARG   4 -10.306  -3.454  14.178
   34   1HD   ARG   4          2HD       ARG   4 -11.234  -1.959  12.509
   35   2HD   ARG   4          1HD       ARG   4 -10.009  -2.369  11.324
   36    HE   ARG   4           HE       ARG   4 -12.332  -4.000  12.085
   37   1HH1  ARG   4          2HH1      ARG   4  -9.232  -3.859  10.529
   38   2HH1  ARG   4          1HH1      ARG   4  -9.536  -5.258   9.556
   39   1HH2  ARG   4          1HH2      ARG   4 -12.727  -5.777  10.861
   40   2HH2  ARG   4          2HH2      ARG   4 -11.536  -6.362   9.749
   41    H    CYS   5           H        CYS   5  -5.644  -1.653  14.141
   42    HA   CYS   5           HA       CYS   5  -5.612   1.197  14.193
   43   1HB   CYS   5          2HB       CYS   5  -4.084  -0.995  15.321
   44   2HB   CYS   5          1HB       CYS   5  -3.021   0.303  14.843
   45    H    CYS   6           H        CYS   6  -4.253  -1.025  11.941
   46    HA   CYS   6           HA       CYS   6  -2.172   0.616  10.839
   47   1HB   CYS   6          2HB       CYS   6  -2.523  -1.835  10.342
   48   2HB   CYS   6          1HB       CYS   6  -3.887  -1.397   9.345
   49    H    LEU   7           H        LEU   7  -5.579   0.661  10.652
   50    HA   LEU   7           HA       LEU   7  -5.829   2.261   8.224
   51   1HB   LEU   7          2HB       LEU   7  -7.910   1.759  10.401
   52   2HB   LEU   7          1HB       LEU   7  -8.221   2.288   8.766
   53    HG   LEU   7           HG       LEU   7  -6.996  -0.425   9.488
   54   1HD1  LEU   7          1HD1      LEU   7  -9.826   0.282   8.604
   55   2HD1  LEU   7          2HD1      LEU   7  -9.361  -0.241  10.214
   56   3HD1  LEU   7          3HD1      LEU   7  -9.210  -1.343   8.857
   57   1HD2  LEU   7          1HD2      LEU   7  -8.034   0.655   6.825
   58   2HD2  LEU   7          2HD2      LEU   7  -7.442  -0.975   7.107
   59   3HD2  LEU   7          3HD2      LEU   7  -6.343   0.385   7.216
   60    H    ILE   8           H        ILE   8  -5.859   2.824  11.700
   61    HA   ILE   8           HA       ILE   8  -6.450   5.677  11.406
   62    HB   ILE   8           HB       ILE   8  -5.414   4.131  13.865
   63   1HG1  ILE   8          2HG1      ILE   8  -7.740   4.522  14.765
   64   2HG1  ILE   8          1HG1      ILE   8  -8.220   5.184  13.221
   65   1HG2  ILE   8          1HG2      ILE   8  -4.814   6.568  13.908
   66   2HG2  ILE   8          2HG2      ILE   8  -6.005   6.192  15.133
   67   3HG2  ILE   8          3HG2      ILE   8  -6.499   6.976  13.650
   68   1HD1  ILE   8          1HD1      ILE   8  -8.962   2.849  13.488
   69   2HD1  ILE   8          2HD1      ILE   8  -7.302   2.324  13.685
   70   3HD1  ILE   8          3HD1      ILE   8  -7.854   2.975  12.148
   71    HA   PRO   9           HA       PRO   9  -2.163   6.514  10.476
   72   1HB   PRO   9          2HB       PRO   9  -2.158   9.254  10.664
   73   2HB   PRO   9          1HB       PRO   9  -2.915   8.396   9.322
   74   1HG   PRO   9          2HG       PRO   9  -4.214   9.605  11.762
   75   2HG   PRO   9          1HG       PRO   9  -4.840   9.559  10.127
   76   1HD   PRO   9          2HD       PRO   9  -5.675   7.872  12.083
   77   2HD   PRO   9          1HD       PRO   9  -5.760   7.483  10.361
   78    H    ALA  10           H        ALA  10  -3.649   8.134  13.156
   79    HA   ALA  10           HA       ALA  10  -1.358   8.793  14.700
   80   1HB   ALA  10          1HB       ALA  10  -2.975   9.014  16.582
   81   2HB   ALA  10          2HB       ALA  10  -4.194   8.194  15.620
   82   3HB   ALA  10          3HB       ALA  10  -3.583   9.760  15.113
   83    H    CYS  11           H        CYS  11  -2.768   5.736  14.155
   84    HA   CYS  11           HA       CYS  11  -1.353   4.557  16.525
   85   1HB   CYS  11          2HB       CYS  11  -3.887   4.197  16.142
   86   2HB   CYS  11          1HB       CYS  11  -3.407   3.184  14.820
   87    H    ARG  12           H        ARG  12  -1.979   4.219  13.122
   88    HA   ARG  12           HA       ARG  12  -0.354   1.982  12.507
   89   1HB   ARG  12          2HB       ARG  12  -1.973   2.920  10.929
   90   2HB   ARG  12          1HB       ARG  12  -1.077   4.412  10.819
   91   1HG   ARG  12          2HG       ARG  12   0.293   1.813  10.074
   92   2HG   ARG  12          1HG       ARG  12  -0.862   2.494   8.956
   93   1HD   ARG  12          2HD       ARG  12   1.616   3.991   9.972
   94   2HD   ARG  12          1HD       ARG  12   1.442   3.213   8.419
   95    HE   ARG  12           HE       ARG  12  -0.248   4.825   7.791
   96   1HH1  ARG  12          2HH1      ARG  12   1.313   5.507  10.825
   97   2HH1  ARG  12          1HH1      ARG  12   0.824   7.165  10.812
   98   1HH2  ARG  12          1HH2      ARG  12  -0.857   6.910   7.777
   99   2HH2  ARG  12          2HH2      ARG  12  -0.414   7.969   9.074
  100    H    ARG  13           H        ARG  13   0.483   5.312  13.039
  101    HA   ARG  13           HA       ARG  13   3.096   5.376  11.935
  102   1HB   ARG  13          2HB       ARG  13   3.470   7.266  13.568
  103   2HB   ARG  13          1HB       ARG  13   1.986   7.426  12.652
  104   1HG   ARG  13          2HG       ARG  13   0.695   6.482  14.583
  105   2HG   ARG  13          1HG       ARG  13   2.178   6.355  15.503
  106   1HD   ARG  13          2HD       ARG  13   1.127   8.983  14.397
  107   2HD   ARG  13          1HD       ARG  13   0.893   8.448  16.054
  108    HE   ARG  13           HE       ARG  13   3.338   9.528  14.935
  109   1HH1  ARG  13          2HH1      ARG  13   2.039   7.333  17.288
  110   2HH1  ARG  13          1HH1      ARG  13   3.422   7.450  18.323
  111   1HH2  ARG  13          1HH2      ARG  13   5.094   9.687  16.232
  112   2HH2  ARG  13          2HH2      ARG  13   5.177   8.800  17.718
  113    H    ASN  14           H        ASN  14   1.965   4.415  15.113
  114    HA   ASN  14           HA       ASN  14   4.672   3.540  15.942
  115   1HB   ASN  14          2HB       ASN  14   3.471   3.138  18.169
  116   2HB   ASN  14          1HB       ASN  14   3.470   4.803  17.617
  117   1HD2  ASN  14          1HD2      ASN  14   1.435   1.941  18.044
  118   2HD2  ASN  14          2HD2      ASN  14  -0.046   2.747  17.850
  119    H    HIS  15           H        HIS  15   1.997   2.313  14.408
  120    HA   HIS  15           HA       HIS  15   2.667  -0.531  15.073
  121   1HB   HIS  15          2HB       HIS  15  -0.012   0.761  14.328
  122   2HB   HIS  15          1HB       HIS  15   0.219  -0.970  14.321
  123    HD1  HIS  15           HD1      HIS  15  -1.765   0.030  16.248
  124    HD2  HIS  15           HD2      HIS  15   2.150  -0.280  17.340
  125    HE1  HIS  15           HE1      HIS  15  -1.739  -0.101  18.709
  126    H    LYS  16           H        LYS  16   4.051   1.050  13.283
  127    HA   LYS  16           HA       LYS  16   3.259   0.954  10.600
  128   1HB   LYS  16          2HB       LYS  16   5.136   2.287  11.497
  129   2HB   LYS  16          1HB       LYS  16   6.061   0.835  11.814
  130   1HG   LYS  16          2HG       LYS  16   5.990   0.303   9.344
  131   2HG   LYS  16          1HG       LYS  16   5.150   1.814   9.068
  132   1HD   LYS  16          2HD       LYS  16   7.944   1.518  10.264
  133   2HD   LYS  16          1HD       LYS  16   7.592   2.015   8.623
  134   1HE   LYS  16          2HE       LYS  16   6.847   3.567  11.149
  135   2HE   LYS  16          1HE       LYS  16   8.076   3.998   9.976
  136   1HZ   LYS  16          1HZ       LYS  16   6.223   5.262   9.437
  137   2HZ   LYS  16          2HZ       LYS  16   5.153   3.952   9.596
  138   3HZ   LYS  16          3HZ       LYS  16   6.236   4.011   8.289
  139    H    LYS  17           H        LYS  17   5.789  -1.075  11.958
  140    HA   LYS  17           HA       LYS  17   5.451  -3.137   9.977
  141   1HB   LYS  17          2HB       LYS  17   7.182  -4.369  11.280
  142   2HB   LYS  17          1HB       LYS  17   7.654  -2.701  11.092
  143   1HG   LYS  17          2HG       LYS  17   6.320  -3.770  13.624
  144   2HG   LYS  17          1HG       LYS  17   8.049  -3.714  13.399
  145   1HD   LYS  17          2HD       LYS  17   7.954  -1.664  14.348
  146   2HD   LYS  17          1HD       LYS  17   7.388  -1.093  12.802
  147   1HE   LYS  17          2HE       LYS  17   4.979  -1.562  13.679
  148   2HE   LYS  17          1HE       LYS  17   5.723  -1.871  15.231
  149   1HZ   LYS  17          1HZ       LYS  17   6.526   0.590  13.949
  150   2HZ   LYS  17          2HZ       LYS  17   6.128   0.274  15.570
  151   3HZ   LYS  17          3HZ       LYS  17   4.899   0.507  14.423
  152    H    PHE  18           H        PHE  18   3.773  -2.472  12.757
  153    HA   PHE  18           HA       PHE  18   3.066  -5.098  13.677
  154   1HB   PHE  18          2HB       PHE  18   2.628  -2.937  14.904
  155   2HB   PHE  18          1HB       PHE  18   1.420  -2.550  13.710
  156    HD1  PHE  18           HD1      PHE  18  -0.760  -3.488  13.739
  157    HD2  PHE  18           HD2      PHE  18   2.218  -5.041  16.365
  158    HE1  PHE  18           HE1      PHE  18  -2.469  -4.802  14.901
  159    HE2  PHE  18           HE2      PHE  18   0.500  -6.354  17.525
  160    HZ   PHE  18           HZ       PHE  18  -1.844  -6.240  16.795
  161    H    CYS  19           H        CYS  19   2.061  -2.946  11.270
  162    HA   CYS  19           HA       CYS  19  -0.351  -4.345  10.399
  163   1HB   CYS  19          2HB       CYS  19   0.173  -1.887  10.012
  164   2HB   CYS  19          1HB       CYS  19   1.311  -2.373   8.787
  165   1HN   NH2  20          1HT       CYS  19  -0.566  -5.582   8.371
  166   2HN   NH2  20          2HT       CYS  19   0.773  -6.392   7.712
  Start of MODEL   14
    1   1H    PHE   1          1H        PHE   1  -7.848  -4.428  19.181
    2   2H    PHE   1          2H        PHE   1  -8.147  -5.541  17.934
    3   3H    PHE   1          3H        PHE   1  -8.880  -4.010  17.898
    4    HA   PHE   1           HA       PHE   1  -6.925  -2.918  17.389
    5   1HB   PHE   1          2HB       PHE   1  -5.458  -4.110  19.058
    6   2HB   PHE   1          1HB       PHE   1  -5.553  -5.591  18.132
    7    HD1  PHE   1           HD1      PHE   1  -4.223  -2.115  18.096
    8    HD2  PHE   1           HD2      PHE   1  -4.079  -5.947  16.233
    9    HE1  PHE   1           HE1      PHE   1  -2.246  -1.430  16.813
   10    HE2  PHE   1           HE2      PHE   1  -2.114  -5.254  14.954
   11    HZ   PHE   1           HZ       PHE   1  -1.188  -2.993  15.241
   12    H    ASN   2           H        ASN   2  -6.042  -6.168  16.334
   13    HA   ASN   2           HA       ASN   2  -5.930  -7.005  14.068
   14   1HB   ASN   2          2HB       ASN   2  -8.648  -5.599  13.926
   15   2HB   ASN   2          1HB       ASN   2  -8.093  -6.941  12.940
   16   1HD2  ASN   2          1HD2      ASN   2  -8.548  -8.994  13.660
   17   2HD2  ASN   2          2HD2      ASN   2  -9.090  -9.374  15.224
   18    H    TRP   3           H        TRP   3  -7.285  -5.608  12.001
   19    HA   TRP   3           HA       TRP   3  -5.187  -3.663  11.260
   20   1HB   TRP   3          2HB       TRP   3  -7.419  -3.934   9.297
   21   2HB   TRP   3          1HB       TRP   3  -5.721  -4.313   9.061
   22    HD1  TRP   3           HD1      TRP   3  -5.056  -6.940   9.085
   23    HE1  TRP   3           HE1      TRP   3  -6.431  -8.967   9.546
   24    HE3  TRP   3           HE3      TRP   3  -9.310  -4.776  10.709
   25    HZ2  TRP   3           HZ2      TRP   3  -9.026  -9.714  10.512
   26    HZ3  TRP   3           HZ3      TRP   3 -11.232  -6.156  11.422
   27    HH2  TRP   3           HH2      TRP   3 -11.083  -8.622  11.329
   28    H    ARG   4           H        ARG   4  -8.118  -3.780  12.784
   29    HA   ARG   4           HA       ARG   4  -9.537  -1.497  12.001
   30   1HB   ARG   4          2HB       ARG   4  -9.922  -3.456  13.859
   31   2HB   ARG   4          1HB       ARG   4  -9.466  -2.151  14.924
   32   1HG   ARG   4          2HG       ARG   4 -11.766  -2.100  12.933
   33   2HG   ARG   4          1HG       ARG   4 -11.907  -2.205  14.674
   34   1HD   ARG   4          2HD       ARG   4 -10.829   0.079  14.862
   35   2HD   ARG   4          1HD       ARG   4 -10.831   0.157  13.096
   36    HE   ARG   4           HE       ARG   4 -13.455  -0.426  14.191
   37   1HH1  ARG   4          2HH1      ARG   4 -11.162   2.043  13.363
   38   2HH1  ARG   4          1HH1      ARG   4 -12.377   3.258  13.160
   39   1HH2  ARG   4          1HH2      ARG   4 -15.006   1.101  13.939
   40   2HH2  ARG   4          2HH2      ARG   4 -14.583   2.720  13.489
   41    H    CYS   5           H        CYS   5  -6.745  -1.924  13.955
   42    HA   CYS   5           HA       CYS   5  -6.660   0.903  14.839
   43   1HB   CYS   5          2HB       CYS   5  -6.012  -1.024  16.309
   44   2HB   CYS   5          1HB       CYS   5  -4.677  -1.338  15.246
   45    H    CYS   6           H        CYS   6  -4.691  -1.384  13.056
   46    HA   CYS   6           HA       CYS   6  -2.627   0.221  12.093
   47   1HB   CYS   6          2HB       CYS   6  -2.937  -2.260  11.902
   48   2HB   CYS   6          1HB       CYS   6  -4.000  -1.982  10.554
   49    H    LEU   7           H        LEU   7  -5.924   0.295  10.949
   50    HA   LEU   7           HA       LEU   7  -5.254   1.592   8.407
   51   1HB   LEU   7          2HB       LEU   7  -7.709   1.811   8.153
   52   2HB   LEU   7          1HB       LEU   7  -7.262   0.190   8.613
   53    HG   LEU   7           HG       LEU   7  -7.771   1.016  11.076
   54   1HD1  LEU   7          1HD1      LEU   7  -8.152   3.448  10.524
   55   2HD1  LEU   7          2HD1      LEU   7  -9.586   2.707  11.187
   56   3HD1  LEU   7          3HD1      LEU   7  -9.458   2.977   9.460
   57   1HD2  LEU   7          1HD2      LEU   7 -10.146   0.325  10.784
   58   2HD2  LEU   7          2HD2      LEU   7  -9.072  -0.721   9.870
   59   3HD2  LEU   7          3HD2      LEU   7  -9.993   0.528   9.048
   60    H    ILE   8           H        ILE   8  -5.779   2.510  11.614
   61    HA   ILE   8           HA       ILE   8  -6.409   5.320  11.162
   62    HB   ILE   8           HB       ILE   8  -5.411   3.943  13.722
   63   1HG1  ILE   8          2HG1      ILE   8  -8.285   4.502  12.828
   64   2HG1  ILE   8          1HG1      ILE   8  -7.536   2.920  12.810
   65   1HG2  ILE   8          1HG2      ILE   8  -6.884   6.580  13.319
   66   2HG2  ILE   8          2HG2      ILE   8  -5.183   6.413  13.726
   67   3HG2  ILE   8          3HG2      ILE   8  -6.404   5.919  14.870
   68   1HD1  ILE   8          1HD1      ILE   8  -7.221   3.021  15.272
   69   2HD1  ILE   8          2HD1      ILE   8  -8.911   3.168  14.823
   70   3HD1  ILE   8          3HD1      ILE   8  -8.010   4.589  15.311
   71    HA   PRO   9           HA       PRO   9  -2.193   6.205  10.285
   72   1HB   PRO   9          2HB       PRO   9  -2.136   8.960  10.635
   73   2HB   PRO   9          1HB       PRO   9  -2.888   8.184   9.244
   74   1HG   PRO   9          2HG       PRO   9  -4.192   9.300  11.705
   75   2HG   PRO   9          1HG       PRO   9  -4.804   9.291  10.060
   76   1HD   PRO   9          2HD       PRO   9  -5.650   7.562  11.994
   77   2HD   PRO   9          1HD       PRO   9  -5.741   7.204  10.268
   78    H    ALA  10           H        ALA  10  -3.605   7.492  13.144
   79    HA   ALA  10           HA       ALA  10  -1.223   8.093  14.626
   80   1HB   ALA  10          1HB       ALA  10  -2.734   8.077  16.608
   81   2HB   ALA  10          2HB       ALA  10  -3.992   7.326  15.636
   82   3HB   ALA  10          3HB       ALA  10  -3.451   8.956  15.266
   83    H    CYS  11           H        CYS  11  -2.926   5.129  14.037
   84    HA   CYS  11           HA       CYS  11  -1.579   3.635  16.175
   85   1HB   CYS  11          2HB       CYS  11  -3.861   3.023  15.288
   86   2HB   CYS  11          1HB       CYS  11  -3.072   2.580  13.798
   87    H    ARG  12           H        ARG  12  -1.573   3.540  12.624
   88    HA   ARG  12           HA       ARG  12   0.608   1.714  12.405
   89   1HB   ARG  12          2HB       ARG  12   0.716   2.435  10.029
   90   2HB   ARG  12          1HB       ARG  12  -0.920   2.123  10.546
   91   1HG   ARG  12          2HG       ARG  12  -1.208   4.113   9.382
   92   2HG   ARG  12          1HG       ARG  12  -1.016   4.687  11.021
   93   1HD   ARG  12          2HD       ARG  12   1.400   5.222  10.563
   94   2HD   ARG  12          1HD       ARG  12   1.212   4.612   8.933
   95    HE   ARG  12           HE       ARG  12   0.247   7.162   9.984
   96   1HH1  ARG  12          2HH1      ARG  12  -0.102   4.746   7.517
   97   2HH1  ARG  12          1HH1      ARG  12  -0.817   5.846   6.389
   98   1HH2  ARG  12          1HH2      ARG  12  -0.659   8.562   8.571
   99   2HH2  ARG  12          2HH2      ARG  12  -1.138   8.035   6.992
  100    H    ARG  13           H        ARG  13   0.490   5.031  13.181
  101    HA   ARG  13           HA       ARG  13   3.044   5.948  12.297
  102   1HB   ARG  13          2HB       ARG  13   1.337   7.528  13.057
  103   2HB   ARG  13          1HB       ARG  13   1.259   6.776  14.633
  104   1HG   ARG  13          2HG       ARG  13   2.489   8.894  14.734
  105   2HG   ARG  13          1HG       ARG  13   3.567   7.573  15.115
  106   1HD   ARG  13          2HD       ARG  13   4.494   7.651  12.791
  107   2HD   ARG  13          1HD       ARG  13   3.340   8.912  12.373
  108    HE   ARG  13           HE       ARG  13   4.699  10.460  13.473
  109   1HH1  ARG  13          2HH1      ARG  13   5.510   7.246  14.488
  110   2HH1  ARG  13          1HH1      ARG  13   6.880   7.763  15.409
  111   1HH2  ARG  13          1HH2      ARG  13   6.426  11.134  14.632
  112   2HH2  ARG  13          2HH2      ARG  13   7.408   9.995  15.492
  113    H    ASN  14           H        ASN  14   1.974   4.136  15.026
  114    HA   ASN  14           HA       ASN  14   4.775   3.814  16.032
  115   1HB   ASN  14          2HB       ASN  14   2.162   3.614  17.592
  116   2HB   ASN  14          1HB       ASN  14   3.781   3.489  18.268
  117   1HD2  ASN  14          1HD2      ASN  14   1.519   5.735  16.684
  118   2HD2  ASN  14          2HD2      ASN  14   2.285   7.154  17.215
  119    H    HIS  15           H        HIS  15   2.537   2.292  14.253
  120    HA   HIS  15           HA       HIS  15   3.573  -0.384  14.972
  121   1HB   HIS  15          2HB       HIS  15   0.597   0.326  14.841
  122   2HB   HIS  15          1HB       HIS  15   1.185  -1.321  14.910
  123    HD1  HIS  15           HD1      HIS  15   2.620  -1.844  17.123
  124    HD2  HIS  15           HD2      HIS  15   0.407   1.582  17.309
  125    HE1  HIS  15           HE1      HIS  15   2.477  -1.239  19.509
  126    H    LYS  16           H        LYS  16   4.120   1.312  12.725
  127    HA   LYS  16           HA       LYS  16   2.652   0.682  10.424
  128   1HB   LYS  16          2HB       LYS  16   4.570   2.423  10.758
  129   2HB   LYS  16          1HB       LYS  16   5.682   1.115  10.474
  130   1HG   LYS  16          2HG       LYS  16   3.531   2.016   8.514
  131   2HG   LYS  16          1HG       LYS  16   5.211   2.495   8.442
  132   1HD   LYS  16          2HD       LYS  16   5.847   0.054   8.160
  133   2HD   LYS  16          1HD       LYS  16   4.137  -0.342   8.096
  134   1HE   LYS  16          2HE       LYS  16   5.004  -0.134   5.820
  135   2HE   LYS  16          1HE       LYS  16   3.829   1.133   6.136
  136   1HZ   LYS  16          1HZ       LYS  16   6.750   1.505   6.432
  137   2HZ   LYS  16          2HZ       LYS  16   5.546   2.702   6.448
  138   3HZ   LYS  16          3HZ       LYS  16   5.892   1.866   5.011
  139    H    LYS  17           H        LYS  17   5.848  -0.677  11.107
  140    HA   LYS  17           HA       LYS  17   5.432  -2.973   9.417
  141   1HB   LYS  17          2HB       LYS  17   7.665  -1.952   9.985
  142   2HB   LYS  17          1HB       LYS  17   7.511  -2.534  11.634
  143   1HG   LYS  17          2HG       LYS  17   7.359  -4.901  10.716
  144   2HG   LYS  17          1HG       LYS  17   7.660  -4.259   9.117
  145   1HD   LYS  17          2HD       LYS  17   9.565  -4.012  11.487
  146   2HD   LYS  17          1HD       LYS  17   9.700  -5.214  10.225
  147   1HE   LYS  17          2HE       LYS  17  11.250  -3.466   9.653
  148   2HE   LYS  17          1HE       LYS  17   9.901  -3.283   8.546
  149   1HZ   LYS  17          1HZ       LYS  17   9.543  -1.812  10.970
  150   2HZ   LYS  17          2HZ       LYS  17   9.433  -1.297   9.355
  151   3HZ   LYS  17          3HZ       LYS  17  10.944  -1.354  10.128
  152    H    PHE  18           H        PHE  18   4.832  -2.277  12.694
  153    HA   PHE  18           HA       PHE  18   4.657  -4.815  13.908
  154   1HB   PHE  18          2HB       PHE  18   4.388  -2.500  14.931
  155   2HB   PHE  18          1HB       PHE  18   2.773  -2.490  14.291
  156    HD1  PHE  18           HD1      PHE  18   0.984  -3.796  15.240
  157    HD2  PHE  18           HD2      PHE  18   4.935  -4.117  16.805
  158    HE1  PHE  18           HE1      PHE  18   0.111  -4.984  17.200
  159    HE2  PHE  18           HE2      PHE  18   4.057  -5.306  18.764
  160    HZ   PHE  18           HZ       PHE  18   1.646  -5.742  18.966
  161    H    CYS  19           H        CYS  19   2.684  -3.132  11.749
  162    HA   CYS  19           HA       CYS  19   0.842  -5.471  11.363
  163   1HB   CYS  19          2HB       CYS  19  -1.053  -4.023  11.231
  164   2HB   CYS  19          1HB       CYS  19  -0.228  -3.674  12.719
  165   1HN   NH2  20          1HT       CYS  19  -0.628  -4.016   9.221
  166   2HN   NH2  20          2HT       CYS  19   0.443  -3.924   7.907
  Start of MODEL   15
    1   1H    PHE   1          1H        PHE   1  -7.259  -5.972  17.627
    2   2H    PHE   1          2H        PHE   1  -7.972  -4.440  17.806
    3   3H    PHE   1          3H        PHE   1  -6.749  -4.939  18.875
    4    HA   PHE   1           HA       PHE   1  -6.115  -3.319  17.052
    5   1HB   PHE   1          2HB       PHE   1  -4.401  -4.600  18.379
    6   2HB   PHE   1          1HB       PHE   1  -4.676  -6.035  17.415
    7    HD1  PHE   1           HD1      PHE   1  -3.443  -2.513  17.208
    8    HD2  PHE   1           HD2      PHE   1  -3.443  -6.368  15.388
    9    HE1  PHE   1           HE1      PHE   1  -1.709  -1.782  15.631
   10    HE2  PHE   1           HE2      PHE   1  -1.717  -5.629  13.819
   11    HZ   PHE   1           HZ       PHE   1  -0.845  -3.336  13.937
   12    H    ASN   2           H        ASN   2  -5.422  -6.481  15.639
   13    HA   ASN   2           HA       ASN   2  -5.708  -7.139  13.323
   14   1HB   ASN   2          2HB       ASN   2  -8.403  -5.762  13.763
   15   2HB   ASN   2          1HB       ASN   2  -8.031  -7.040  12.615
   16   1HD2  ASN   2          1HD2      ASN   2  -7.967  -9.203  13.351
   17   2HD2  ASN   2          2HD2      ASN   2  -8.365  -9.644  14.941
   18    H    TRP   3           H        TRP   3  -7.450  -5.542  11.700
   19    HA   TRP   3           HA       TRP   3  -5.496  -3.534  10.737
   20   1HB   TRP   3          2HB       TRP   3  -8.024  -3.676   9.169
   21   2HB   TRP   3          1HB       TRP   3  -6.394  -4.026   8.621
   22    HD1  TRP   3           HD1      TRP   3  -5.773  -6.640   8.296
   23    HE1  TRP   3           HE1      TRP   3  -7.061  -8.703   8.836
   24    HE3  TRP   3           HE3      TRP   3  -9.631  -4.636  10.849
   25    HZ2  TRP   3           HZ2      TRP   3  -9.445  -9.540  10.200
   26    HZ3  TRP   3           HZ3      TRP   3 -11.404  -6.077  11.789
   27    HH2  TRP   3           HH2      TRP   3 -11.303  -8.527  11.469
   28    H    ARG   4           H        ARG   4  -8.106  -3.753  12.741
   29    HA   ARG   4           HA       ARG   4  -9.597  -1.424  12.328
   30   1HB   ARG   4          2HB       ARG   4 -10.000  -3.340  13.988
   31   2HB   ARG   4          1HB       ARG   4  -8.878  -2.542  15.048
   32   1HG   ARG   4          2HG       ARG   4 -11.085  -1.856  15.732
   33   2HG   ARG   4          1HG       ARG   4 -10.221  -0.478  15.095
   34   1HD   ARG   4          2HD       ARG   4 -11.465  -0.840  12.866
   35   2HD   ARG   4          1HD       ARG   4 -12.374  -2.110  13.674
   36    HE   ARG   4           HE       ARG   4 -13.594  -0.460  14.802
   37   1HH1  ARG   4          2HH1      ARG   4 -10.701   0.882  13.434
   38   2HH1  ARG   4          1HH1      ARG   4 -11.146   2.513  13.809
   39   1HH2  ARG   4          1HH2      ARG   4 -14.171   1.599  15.287
   40   2HH2  ARG   4          2HH2      ARG   4 -13.136   2.925  14.874
   41    H    CYS   5           H        CYS   5  -6.625  -1.995  13.795
   42    HA   CYS   5           HA       CYS   5  -6.240   0.775  14.797
   43   1HB   CYS   5          2HB       CYS   5  -5.507  -1.387  15.965
   44   2HB   CYS   5          1HB       CYS   5  -4.247  -1.465  14.779
   45    H    CYS   6           H        CYS   6  -4.822  -1.452  12.475
   46    HA   CYS   6           HA       CYS   6  -2.777   0.195  11.444
   47   1HB   CYS   6          2HB       CYS   6  -4.450  -1.798   9.902
   48   2HB   CYS   6          1HB       CYS   6  -2.847  -1.247   9.476
   49    H    LEU   7           H        LEU   7  -6.198   0.351  10.738
   50    HA   LEU   7           HA       LEU   7  -5.859   2.092   8.406
   51   1HB   LEU   7          2HB       LEU   7  -8.347   2.209   8.463
   52   2HB   LEU   7          1HB       LEU   7  -7.763   0.568   8.523
   53    HG   LEU   7           HG       LEU   7  -8.045   0.765  11.118
   54   1HD1  LEU   7          1HD1      LEU   7  -8.441   3.212  11.248
   55   2HD1  LEU   7          2HD1      LEU   7  -9.818   2.324  11.850
   56   3HD1  LEU   7          3HD1      LEU   7  -9.868   3.039  10.249
   57   1HD2  LEU   7          1HD2      LEU   7 -10.481   0.733   9.290
   58   2HD2  LEU   7          2HD2      LEU   7 -10.441   0.116  10.934
   59   3HD2  LEU   7          3HD2      LEU   7  -9.479  -0.655   9.684
   60    H    ILE   8           H        ILE   8  -5.469   2.542  11.584
   61    HA   ILE   8           HA       ILE   8  -6.497   5.302  11.821
   62    HB   ILE   8           HB       ILE   8  -4.837   3.722  13.845
   63   1HG1  ILE   8          2HG1      ILE   8  -6.980   2.496  13.269
   64   2HG1  ILE   8          1HG1      ILE   8  -6.824   2.944  14.951
   65   1HG2  ILE   8          1HG2      ILE   8  -4.870   6.105  14.282
   66   2HG2  ILE   8          2HG2      ILE   8  -5.782   5.270  15.516
   67   3HG2  ILE   8          3HG2      ILE   8  -6.620   6.140  14.243
   68   1HD1  ILE   8          1HD1      ILE   8  -8.450   4.477  12.892
   69   2HD1  ILE   8          2HD1      ILE   8  -8.330   4.859  14.603
   70   3HD1  ILE   8          3HD1      ILE   8  -9.091   3.363  14.093
   71    HA   PRO   9           HA       PRO   9  -2.364   6.720  10.711
   72   1HB   PRO   9          2HB       PRO   9  -2.567   9.356  11.531
   73   2HB   PRO   9          1HB       PRO   9  -3.362   8.764  10.072
   74   1HG   PRO   9          2HG       PRO   9  -4.548   9.264  12.784
   75   2HG   PRO   9          1HG       PRO   9  -5.274   9.536  11.210
   76   1HD   PRO   9          2HD       PRO   9  -5.837   7.368  12.784
   77   2HD   PRO   9          1HD       PRO   9  -6.025   7.367  11.029
   78    H    ALA  10           H        ALA  10  -3.741   7.487  13.779
   79    HA   ALA  10           HA       ALA  10  -1.287   7.885  15.233
   80   1HB   ALA  10          1HB       ALA  10  -2.760   7.744  17.241
   81   2HB   ALA  10          2HB       ALA  10  -4.070   7.158  16.229
   82   3HB   ALA  10          3HB       ALA  10  -3.446   8.784  16.007
   83    H    CYS  11           H        CYS  11  -2.184   5.131  13.793
   84    HA   CYS  11           HA       CYS  11  -1.007   3.384  15.920
   85   1HB   CYS  11          2HB       CYS  11  -3.441   2.911  15.343
   86   2HB   CYS  11          1HB       CYS  11  -2.863   2.572  13.740
   87    H    ARG  12           H        ARG  12  -1.521   3.658  12.424
   88    HA   ARG  12           HA       ARG  12   0.399   1.709  11.660
   89   1HB   ARG  12          2HB       ARG  12   0.274   2.632   9.430
   90   2HB   ARG  12          1HB       ARG  12  -1.327   2.706  10.138
   91   1HG   ARG  12          2HG       ARG  12  -1.004   5.118  10.675
   92   2HG   ARG  12          1HG       ARG  12   0.620   5.065  10.012
   93   1HD   ARG  12          2HD       ARG  12  -0.680   5.991   8.388
   94   2HD   ARG  12          1HD       ARG  12  -0.171   4.398   7.864
   95    HE   ARG  12           HE       ARG  12  -2.413   3.524   8.338
   96   1HH1  ARG  12          2HH1      ARG  12  -2.139   6.994   8.493
   97   2HH1  ARG  12          1HH1      ARG  12  -3.845   7.224   8.339
   98   1HH2  ARG  12          1HH2      ARG  12  -4.548   3.820   8.149
   99   2HH2  ARG  12          2HH2      ARG  12  -5.226   5.413   8.141
  100    H    ARG  13           H        ARG  13   0.729   5.178  12.040
  101    HA   ARG  13           HA       ARG  13   3.510   5.152  11.288
  102   1HB   ARG  13          2HB       ARG  13   1.547   7.239  12.125
  103   2HB   ARG  13          1HB       ARG  13   3.237   7.624  12.402
  104   1HG   ARG  13          2HG       ARG  13   3.774   7.086  10.041
  105   2HG   ARG  13          1HG       ARG  13   2.107   6.652   9.736
  106   1HD   ARG  13          2HD       ARG  13   2.899   9.416  10.732
  107   2HD   ARG  13          1HD       ARG  13   2.821   9.032   9.020
  108    HE   ARG  13           HE       ARG  13   0.554   9.402  10.815
  109   1HH1  ARG  13          2HH1      ARG  13   1.695   7.876   7.911
  110   2HH1  ARG  13          1HH1      ARG  13   0.114   7.769   7.216
  111   1HH2  ARG  13          1HH2      ARG  13  -1.444   9.276   9.940
  112   2HH2  ARG  13          2HH2      ARG  13  -1.691   8.562   8.380
  113    H    ASN  14           H        ASN  14   1.723   4.664  14.118
  114    HA   ASN  14           HA       ASN  14   3.922   5.222  16.015
  115   1HB   ASN  14          2HB       ASN  14   1.056   4.294  16.461
  116   2HB   ASN  14          1HB       ASN  14   2.186   4.724  17.737
  117   1HD2  ASN  14          1HD2      ASN  14   1.862   6.807  18.463
  118   2HD2  ASN  14          2HD2      ASN  14   1.326   8.110  17.516
  119    H    HIS  15           H        HIS  15   2.951   2.684  14.113
  120    HA   HIS  15           HA       HIS  15   4.409   0.715  15.814
  121   1HB   HIS  15          2HB       HIS  15   1.751   0.185  14.382
  122   2HB   HIS  15          1HB       HIS  15   2.716  -1.011  15.230
  123    HD1  HIS  15           HD1      HIS  15   0.045   1.243  15.862
  124    HD2  HIS  15           HD2      HIS  15   3.126  -0.196  18.118
  125    HE1  HIS  15           HE1      HIS  15  -0.577   1.637  18.213
  126    H    LYS  16           H        LYS  16   2.708   0.616  12.758
  127    HA   LYS  16           HA       LYS  16   3.324   0.334  10.560
  128   1HB   LYS  16          2HB       LYS  16   5.249   1.906  11.083
  129   2HB   LYS  16          1HB       LYS  16   6.238   0.520  11.497
  130   1HG   LYS  16          2HG       LYS  16   5.953  -0.406   9.215
  131   2HG   LYS  16          1HG       LYS  16   4.980   0.989   8.776
  132   1HD   LYS  16          2HD       LYS  16   6.908   2.489   9.287
  133   2HD   LYS  16          1HD       LYS  16   7.876   1.094   9.735
  134   1HE   LYS  16          2HE       LYS  16   7.644   0.188   7.426
  135   2HE   LYS  16          1HE       LYS  16   6.675   1.587   6.976
  136   1HZ   LYS  16          1HZ       LYS  16   8.543   3.008   7.509
  137   2HZ   LYS  16          2HZ       LYS  16   8.959   1.864   6.325
  138   3HZ   LYS  16          3HZ       LYS  16   9.478   1.654   7.929
  139    H    LYS  17           H        LYS  17   5.695  -1.345  12.554
  140    HA   LYS  17           HA       LYS  17   5.676  -3.692  10.841
  141   1HB   LYS  17          2HB       LYS  17   7.149  -4.644  12.804
  142   2HB   LYS  17          1HB       LYS  17   7.772  -3.332  11.848
  143   1HG   LYS  17          2HG       LYS  17   8.224  -2.971  14.237
  144   2HG   LYS  17          1HG       LYS  17   7.243  -1.694  13.582
  145   1HD   LYS  17          2HD       LYS  17   6.487  -2.359  15.825
  146   2HD   LYS  17          1HD       LYS  17   5.225  -2.647  14.666
  147   1HE   LYS  17          2HE       LYS  17   5.453  -4.563  16.235
  148   2HE   LYS  17          1HE       LYS  17   5.914  -5.106  14.633
  149   1HZ   LYS  17          1HZ       LYS  17   7.863  -4.111  16.618
  150   2HZ   LYS  17          2HZ       LYS  17   8.180  -4.942  15.171
  151   3HZ   LYS  17          3HZ       LYS  17   7.436  -5.748  16.467
  152    H    PHE  18           H        PHE  18   3.747  -2.741  13.413
  153    HA   PHE  18           HA       PHE  18   3.039  -5.374  14.421
  154   1HB   PHE  18          2HB       PHE  18   2.794  -3.044  15.496
  155   2HB   PHE  18          1HB       PHE  18   1.370  -2.832  14.516
  156    HD1  PHE  18           HD1      PHE  18   0.763  -2.441  17.117
  157    HD2  PHE  18           HD2      PHE  18   1.276  -6.277  15.312
  158    HE1  PHE  18           HE1      PHE  18  -0.627  -3.458  18.856
  159    HE2  PHE  18           HE2      PHE  18  -0.112  -7.272  17.048
  160    HZ   PHE  18           HZ       PHE  18  -1.071  -5.876  18.828
  161    H    CYS  19           H        CYS  19   2.273  -3.304  11.897
  162    HA   CYS  19           HA       CYS  19  -0.016  -4.947  10.873
  163   1HB   CYS  19          2HB       CYS  19   0.891  -2.155  10.118
  164   2HB   CYS  19          1HB       CYS  19  -0.508  -2.969   9.465
  165   1HN   NH2  20          1HT       CYS  19   3.322  -4.400  10.366
  166   2HN   NH2  20          2HT       CYS  19   3.425  -5.025   8.791
  Start of MODEL   16
    1   1H    PHE   1          1H        PHE   1  -8.645  -4.847  18.509
    2   2H    PHE   1          2H        PHE   1  -9.291  -3.331  18.100
    3   3H    PHE   1          3H        PHE   1  -8.540  -3.556  19.607
    4    HA   PHE   1           HA       PHE   1  -7.238  -2.366  17.792
    5   1HB   PHE   1          2HB       PHE   1  -6.132  -3.124  19.868
    6   2HB   PHE   1          1HB       PHE   1  -6.194  -4.799  19.359
    7    HD1  PHE   1           HD1      PHE   1  -4.215  -5.703  18.522
    8    HD2  PHE   1           HD2      PHE   1  -4.846  -1.512  18.064
    9    HE1  PHE   1           HE1      PHE   1  -2.007  -5.484  17.493
   10    HE2  PHE   1           HE2      PHE   1  -2.626  -1.302  17.030
   11    HZ   PHE   1           HZ       PHE   1  -1.207  -3.290  16.739
   12    H    ASN   2           H        ASN   2  -6.127  -5.703  17.527
   13    HA   ASN   2           HA       ASN   2  -5.627  -6.945  15.521
   14   1HB   ASN   2          2HB       ASN   2  -8.192  -5.594  14.527
   15   2HB   ASN   2          1HB       ASN   2  -7.484  -7.096  13.960
   16   1HD2  ASN   2          1HD2      ASN   2  -8.957  -5.624  16.868
   17   2HD2  ASN   2          2HD2      ASN   2  -9.510  -7.094  17.511
   18    H    TRP   3           H        TRP   3  -6.439  -5.935  12.994
   19    HA   TRP   3           HA       TRP   3  -4.171  -4.116  12.409
   20   1HB   TRP   3          2HB       TRP   3  -5.733  -4.841  10.006
   21   2HB   TRP   3          1HB       TRP   3  -4.089  -5.308  10.401
   22    HD1  TRP   3           HD1      TRP   3  -3.726  -7.899  10.944
   23    HE1  TRP   3           HE1      TRP   3  -5.341  -9.732  11.438
   24    HE3  TRP   3           HE3      TRP   3  -8.026  -5.267  11.166
   25    HZ2  TRP   3           HZ2      TRP   3  -8.135 -10.160  11.913
   26    HZ3  TRP   3           HZ3      TRP   3 -10.167  -6.397  11.661
   27    HH2  TRP   3           HH2      TRP   3 -10.215  -8.839  12.042
   28    H    ARG   4           H        ARG   4  -7.021  -3.573  13.566
   29    HA   ARG   4           HA       ARG   4  -8.347  -1.800  11.804
   30   1HB   ARG   4          2HB       ARG   4  -9.240  -2.692  14.031
   31   2HB   ARG   4          1HB       ARG   4  -8.204  -1.537  14.831
   32   1HG   ARG   4          2HG       ARG   4 -10.421  -0.573  14.704
   33   2HG   ARG   4          1HG       ARG   4  -9.333   0.356  13.697
   34   1HD   ARG   4          2HD       ARG   4 -10.187  -0.802  11.667
   35   2HD   ARG   4          1HD       ARG   4 -11.248  -1.795  12.656
   36    HE   ARG   4           HE       ARG   4 -11.637   1.007  11.927
   37   1HH1  ARG   4          2HH1      ARG   4 -12.400  -1.496  14.204
   38   2HH1  ARG   4          1HH1      ARG   4 -13.874  -0.740  14.706
   39   1HH2  ARG   4          1HH2      ARG   4 -13.495   1.977  12.554
   40   2HH2  ARG   4          2HH2      ARG   4 -14.502   1.253  13.762
   41    H    CYS   5           H        CYS   5  -5.877  -1.475  14.148
   42    HA   CYS   5           HA       CYS   5  -5.464   1.354  14.087
   43   1HB   CYS   5          2HB       CYS   5  -4.131  -1.018  15.202
   44   2HB   CYS   5          1HB       CYS   5  -3.038   0.301  14.865
   45    H    CYS   6           H        CYS   6  -4.403  -1.155  11.982
   46    HA   CYS   6           HA       CYS   6  -2.156   0.201  10.790
   47   1HB   CYS   6          2HB       CYS   6  -2.839  -2.260  10.578
   48   2HB   CYS   6          1HB       CYS   6  -4.008  -1.777   9.394
   49    H    LEU   7           H        LEU   7  -5.568   0.360  10.516
   50    HA   LEU   7           HA       LEU   7  -5.632   1.993   8.070
   51   1HB   LEU   7          2HB       LEU   7  -7.918   1.353   9.989
   52   2HB   LEU   7          1HB       LEU   7  -8.056   1.911   8.339
   53    HG   LEU   7           HG       LEU   7  -6.853  -0.782   9.151
   54   1HD1  LEU   7          1HD1      LEU   7  -9.550  -0.118   7.898
   55   2HD1  LEU   7          2HD1      LEU   7  -9.295  -0.679   9.543
   56   3HD1  LEU   7          3HD1      LEU   7  -8.930  -1.735   8.192
   57   1HD2  LEU   7          1HD2      LEU   7  -7.539   0.337   6.391
   58   2HD2  LEU   7          2HD2      LEU   7  -6.946  -1.283   6.718
   59   3HD2  LEU   7          3HD2      LEU   7  -5.911   0.099   7.006
   60    H    ILE   8           H        ILE   8  -5.665   2.401  11.524
   61    HA   ILE   8           HA       ILE   8  -6.597   5.175  11.457
   62    HB   ILE   8           HB       ILE   8  -5.087   3.740  13.682
   63   1HG1  ILE   8          2HG1      ILE   8  -7.134   2.476  13.203
   64   2HG1  ILE   8          1HG1      ILE   8  -7.237   3.257  14.761
   65   1HG2  ILE   8          1HG2      ILE   8  -6.102   5.501  15.156
   66   2HG2  ILE   8          2HG2      ILE   8  -6.825   6.245  13.743
   67   3HG2  ILE   8          3HG2      ILE   8  -5.083   6.197  13.915
   68   1HD1  ILE   8          1HD1      ILE   8  -8.517   4.260  12.193
   69   2HD1  ILE   8          2HD1      ILE   8  -8.633   5.051  13.762
   70   3HD1  ILE   8          3HD1      ILE   8  -9.343   3.464  13.524
   71    HA   PRO   9           HA       PRO   9  -2.501   6.572  10.394
   72   1HB   PRO   9          2HB       PRO   9  -2.829   9.286  10.659
   73   2HB   PRO   9          1HB       PRO   9  -3.567   8.373   9.344
   74   1HG   PRO   9          2HG       PRO   9  -4.834   9.386  11.881
   75   2HG   PRO   9          1HG       PRO   9  -5.568   9.236  10.298
   76   1HD   PRO   9          2HD       PRO   9  -5.961   7.463  12.351
   77   2HD   PRO   9          1HD       PRO   9  -6.253   7.107  10.642
   78    H    ALA  10           H        ALA  10  -3.986   7.880  13.248
   79    HA   ALA  10           HA       ALA  10  -1.539   8.643  14.583
   80   1HB   ALA  10          1HB       ALA  10  -3.704   9.700  15.107
   81   2HB   ALA  10          2HB       ALA  10  -3.030   8.967  16.553
   82   3HB   ALA  10          3HB       ALA  10  -4.333   8.167  15.687
   83    H    CYS  11           H        CYS  11  -2.874   5.613  14.013
   84    HA   CYS  11           HA       CYS  11  -1.475   4.445  16.396
   85   1HB   CYS  11          2HB       CYS  11  -4.054   4.123  16.001
   86   2HB   CYS  11          1HB       CYS  11  -3.530   3.003  14.795
   87    H    ARG  12           H        ARG  12  -2.059   4.089  12.958
   88    HA   ARG  12           HA       ARG  12  -0.525   1.711  12.532
   89   1HB   ARG  12          2HB       ARG  12  -0.356   2.408  10.155
   90   2HB   ARG  12          1HB       ARG  12  -1.971   2.659  10.755
   91   1HG   ARG  12          2HG       ARG  12  -1.646   4.673   9.667
   92   2HG   ARG  12          1HG       ARG  12  -1.096   5.106  11.272
   93   1HD   ARG  12          2HD       ARG  12   1.300   4.600  10.469
   94   2HD   ARG  12          1HD       ARG  12   0.616   4.461   8.858
   95    HE   ARG  12           HE       ARG  12  -0.388   6.836   9.514
   96   1HH1  ARG  12          2HH1      ARG  12   2.793   5.576  10.147
   97   2HH1  ARG  12          1HH1      ARG  12   3.522   7.144  10.130
   98   1HH2  ARG  12          1HH2      ARG  12   0.529   8.807   9.490
   99   2HH2  ARG  12          2HH2      ARG  12   2.231   8.994   9.752
  100    H    ARG  13           H        ARG  13   0.447   4.951  13.107
  101    HA   ARG  13           HA       ARG  13   3.124   4.855  12.096
  102   1HB   ARG  13          2HB       ARG  13   3.468   6.833  13.600
  103   2HB   ARG  13          1HB       ARG  13   2.012   6.974  12.637
  104   1HG   ARG  13          2HG       ARG  13   0.671   6.111  14.620
  105   2HG   ARG  13          1HG       ARG  13   2.143   6.143  15.573
  106   1HD   ARG  13          2HD       ARG  13   0.925   8.568  14.194
  107   2HD   ARG  13          1HD       ARG  13   0.812   8.208  15.915
  108    HE   ARG  13           HE       ARG  13   3.555   8.177  15.245
  109   1HH1  ARG  13          2HH1      ARG  13   0.885  10.382  15.340
  110   2HH1  ARG  13          1HH1      ARG  13   1.885  11.760  15.656
  111   1HH2  ARG  13          1HH2      ARG  13   4.844   9.910  15.643
  112   2HH2  ARG  13          2HH2      ARG  13   4.159  11.489  15.829
  113    H    ASN  14           H        ASN  14   1.675   3.948  15.121
  114    HA   ASN  14           HA       ASN  14   4.229   3.209  16.389
  115   1HB   ASN  14          2HB       ASN  14   2.444   4.257  17.750
  116   2HB   ASN  14          1HB       ASN  14   1.334   2.961  17.331
  117   1HD2  ASN  14          1HD2      ASN  14   4.287   3.713  19.163
  118   2HD2  ASN  14          2HD2      ASN  14   4.236   2.327  20.141
  119    H    HIS  15           H        HIS  15   1.585   1.760  14.725
  120    HA   HIS  15           HA       HIS  15   2.644  -0.997  15.195
  121   1HB   HIS  15          2HB       HIS  15  -0.137   0.012  14.447
  122   2HB   HIS  15          1HB       HIS  15   0.278  -1.692  14.546
  123    HD1  HIS  15           HD1      HIS  15   1.001  -2.494  16.966
  124    HD2  HIS  15           HD2      HIS  15  -0.566   1.272  16.912
  125    HE1  HIS  15           HE1      HIS  15   0.463  -1.931  19.307
  126    H    LYS  16           H        LYS  16   3.748   0.897  13.339
  127    HA   LYS  16           HA       LYS  16   2.906   0.395  10.689
  128   1HB   LYS  16          2HB       LYS  16   5.074   1.405  10.050
  129   2HB   LYS  16          1HB       LYS  16   4.289   2.346  11.303
  130   1HG   LYS  16          2HG       LYS  16   5.740   1.137  13.017
  131   2HG   LYS  16          1HG       LYS  16   6.590   0.398  11.676
  132   1HD   LYS  16          2HD       LYS  16   6.389   3.395  12.176
  133   2HD   LYS  16          1HD       LYS  16   7.788   2.405  12.524
  134   1HE   LYS  16          2HE       LYS  16   7.945   1.836  10.056
  135   2HE   LYS  16          1HE       LYS  16   6.613   2.944   9.760
  136   1HZ   LYS  16          1HZ       LYS  16   7.945   4.699  10.807
  137   2HZ   LYS  16          2HZ       LYS  16   8.631   4.076   9.383
  138   3HZ   LYS  16          3HZ       LYS  16   9.252   3.619  10.897
  139    H    LYS  17           H        LYS  17   5.223  -1.173  12.777
  140    HA   LYS  17           HA       LYS  17   6.139  -3.013  10.692
  141   1HB   LYS  17          2HB       LYS  17   6.503  -3.162  13.745
  142   2HB   LYS  17          1HB       LYS  17   7.393  -4.132  12.593
  143   1HG   LYS  17          2HG       LYS  17   7.565  -1.105  12.874
  144   2HG   LYS  17          1HG       LYS  17   8.759  -2.255  13.430
  145   1HD   LYS  17          2HD       LYS  17   9.066  -3.043  11.046
  146   2HD   LYS  17          1HD       LYS  17   7.979  -1.768  10.521
  147   1HE   LYS  17          2HE       LYS  17  10.604  -1.335  12.008
  148   2HE   LYS  17          1HE       LYS  17  10.324  -1.031  10.300
  149   1HZ   LYS  17          1HZ       LYS  17   9.386   0.459  12.626
  150   2HZ   LYS  17          2HZ       LYS  17   8.399   0.425  11.246
  151   3HZ   LYS  17          3HZ       LYS  17   9.984   1.024  11.139
  152    H    PHE  18           H        PHE  18   3.929  -2.973  13.310
  153    HA   PHE  18           HA       PHE  18   3.169  -5.722  13.377
  154   1HB   PHE  18          2HB       PHE  18   2.555  -3.896  15.019
  155   2HB   PHE  18          1HB       PHE  18   1.431  -3.281  13.846
  156    HD1  PHE  18           HD1      PHE  18  -0.712  -4.250  13.486
  157    HD2  PHE  18           HD2      PHE  18   2.124  -6.293  15.929
  158    HE1  PHE  18           HE1      PHE  18  -2.453  -5.825  14.190
  159    HE2  PHE  18           HE2      PHE  18   0.378  -7.867  16.631
  160    HZ   PHE  18           HZ       PHE  18  -1.912  -7.638  15.764
  161    H    CYS  19           H        CYS  19   2.521  -3.091  11.405
  162    HA   CYS  19           HA       CYS  19   1.397  -4.609   9.187
  163   1HB   CYS  19          2HB       CYS  19  -0.548  -4.542  10.707
  164   2HB   CYS  19          1HB       CYS  19  -0.482  -2.809  10.696
  165   1HN   NH2  20          1HT       CYS  19   0.932  -1.242  10.407
  166   2HN   NH2  20          2HT       CYS  19   1.638  -0.498   9.056
  Start of MODEL   17
    1   1H    PHE   1          1H        PHE   1  -9.689  -4.761  18.601
    2   2H    PHE   1          2H        PHE   1  -8.887  -6.181  18.125
    3   3H    PHE   1          3H        PHE   1  -9.719  -5.250  16.973
    4    HA   PHE   1           HA       PHE   1  -8.179  -3.411  17.357
    5   1HB   PHE   1          2HB       PHE   1  -7.401  -4.001  19.645
    6   2HB   PHE   1          1HB       PHE   1  -6.815  -5.557  19.092
    7    HD1  PHE   1           HD1      PHE   1  -6.346  -1.884  18.397
    8    HD2  PHE   1           HD2      PHE   1  -4.544  -5.747  18.512
    9    HE1  PHE   1           HE1      PHE   1  -4.161  -0.891  17.881
   10    HE2  PHE   1           HE2      PHE   1  -2.369  -4.744  17.998
   11    HZ   PHE   1           HZ       PHE   1  -2.172  -2.321  17.678
   12    H    ASN   2           H        ASN   2  -6.410  -6.480  17.353
   13    HA   ASN   2           HA       ASN   2  -5.086  -7.410  15.559
   14   1HB   ASN   2          2HB       ASN   2  -7.488  -6.513  13.900
   15   2HB   ASN   2          1HB       ASN   2  -6.382  -7.830  13.558
   16   1HD2  ASN   2          1HD2      ASN   2  -6.842  -9.854  14.425
   17   2HD2  ASN   2          2HD2      ASN   2  -8.112 -10.155  15.509
   18    H    TRP   3           H        TRP   3  -5.348  -6.455  12.914
   19    HA   TRP   3           HA       TRP   3  -3.427  -4.197  12.950
   20   1HB   TRP   3          2HB       TRP   3  -4.033  -5.100  10.221
   21   2HB   TRP   3          1HB       TRP   3  -2.539  -5.296  11.118
   22    HD1  TRP   3           HD1      TRP   3  -1.885  -7.809  11.681
   23    HE1  TRP   3           HE1      TRP   3  -3.221  -9.911  11.712
   24    HE3  TRP   3           HE3      TRP   3  -6.483  -5.959  10.730
   25    HZ2  TRP   3           HZ2      TRP   3  -5.920 -10.828  11.408
   26    HZ3  TRP   3           HZ3      TRP   3  -8.443  -7.458  10.622
   27    HH2  TRP   3           HH2      TRP   3  -8.159  -9.889  10.968
   28    H    ARG   4           H        ARG   4  -6.447  -4.118  13.399
   29    HA   ARG   4           HA       ARG   4  -7.712  -2.697  11.291
   30   1HB   ARG   4          2HB       ARG   4  -8.186  -2.461  14.277
   31   2HB   ARG   4          1HB       ARG   4  -9.260  -1.871  13.040
   32   1HG   ARG   4          2HG       ARG   4  -9.668  -4.108  12.190
   33   2HG   ARG   4          1HG       ARG   4  -8.400  -4.803  13.165
   34   1HD   ARG   4          2HD       ARG   4  -9.857  -3.820  15.198
   35   2HD   ARG   4          1HD       ARG   4 -11.149  -3.854  14.006
   36    HE   ARG   4           HE       ARG   4  -9.947  -6.143  15.296
   37   1HH1  ARG   4          2HH1      ARG   4 -11.416  -5.050  12.352
   38   2HH1  ARG   4          1HH1      ARG   4 -11.945  -6.635  11.899
   39   1HH2  ARG   4          1HH2      ARG   4 -10.604  -8.148  14.744
   40   2HH2  ARG   4          2HH2      ARG   4 -11.481  -8.417  13.275
   41    H    CYS   5           H        CYS   5  -5.796  -1.772  13.973
   42    HA   CYS   5           HA       CYS   5  -5.970   1.063  13.878
   43   1HB   CYS   5          2HB       CYS   5  -4.533  -0.938  15.325
   44   2HB   CYS   5          1HB       CYS   5  -3.384   0.260  14.807
   45    H    CYS   6           H        CYS   6  -4.360  -1.109  11.823
   46    HA   CYS   6           HA       CYS   6  -2.135   0.355  10.822
   47   1HB   CYS   6          2HB       CYS   6  -2.622  -1.967  10.235
   48   2HB   CYS   6          1HB       CYS   6  -3.972  -1.433   9.257
   49    H    LEU   7           H        LEU   7  -5.543   0.590  10.302
   50    HA   LEU   7           HA       LEU   7  -5.472   2.357   7.988
   51   1HB   LEU   7          2HB       LEU   7  -7.783   1.674   9.853
   52   2HB   LEU   7          1HB       LEU   7  -7.927   2.391   8.262
   53    HG   LEU   7           HG       LEU   7  -6.775  -0.394   8.819
   54   1HD1  LEU   7          1HD1      LEU   7  -9.478   0.434   7.679
   55   2HD1  LEU   7          2HD1      LEU   7  -9.209  -0.271   9.265
   56   3HD1  LEU   7          3HD1      LEU   7  -8.891  -1.216   7.821
   57   1HD2  LEU   7          1HD2      LEU   7  -6.925  -0.683   6.354
   58   2HD2  LEU   7          2HD2      LEU   7  -5.853   0.647   6.736
   59   3HD2  LEU   7          3HD2      LEU   7  -7.486   0.971   6.178
   60    H    ILE   8           H        ILE   8  -5.831   2.739  11.461
   61    HA   ILE   8           HA       ILE   8  -6.502   5.580  11.255
   62    HB   ILE   8           HB       ILE   8  -5.634   3.901  13.678
   63   1HG1  ILE   8          2HG1      ILE   8  -8.015   4.207  14.417
   64   2HG1  ILE   8          1HG1      ILE   8  -8.374   5.040  12.923
   65   1HG2  ILE   8          1HG2      ILE   8  -6.718   6.753  13.571
   66   2HG2  ILE   8          2HG2      ILE   8  -5.051   6.346  13.938
   67   3HG2  ILE   8          3HG2      ILE   8  -6.333   5.881  15.036
   68   1HD1  ILE   8          1HD1      ILE   8  -9.152   2.705  12.882
   69   2HD1  ILE   8          2HD1      ILE   8  -7.515   2.134  13.129
   70   3HD1  ILE   8          3HD1      ILE   8  -7.951   2.963  11.642
   71    HA   PRO   9           HA       PRO   9  -2.336   6.512  10.394
   72   1HB   PRO   9          2HB       PRO   9  -2.364   9.256  10.538
   73   2HB   PRO   9          1HB       PRO   9  -3.207   8.364   9.272
   74   1HG   PRO   9          2HG       PRO   9  -4.333   9.651  11.744
   75   2HG   PRO   9          1HG       PRO   9  -5.107   9.454  10.182
   76   1HD   PRO   9          2HD       PRO   9  -5.608   7.883  12.372
   77   2HD   PRO   9          1HD       PRO   9  -6.011   7.470  10.697
   78    H    ALA  10           H        ALA  10  -3.590   8.188  13.183
   79    HA   ALA  10           HA       ALA  10  -1.071   8.751  14.439
   80   1HB   ALA  10          1HB       ALA  10  -3.846   8.466  15.660
   81   2HB   ALA  10          2HB       ALA  10  -3.153   9.949  15.019
   82   3HB   ALA  10          3HB       ALA  10  -2.465   9.209  16.455
   83    H    CYS  11           H        CYS  11  -3.026   5.914  14.285
   84    HA   CYS  11           HA       CYS  11  -1.684   4.633  16.585
   85   1HB   CYS  11          2HB       CYS  11  -4.169   4.312  15.919
   86   2HB   CYS  11          1HB       CYS  11  -3.561   3.302  14.650
   87    H    ARG  12           H        ARG  12  -1.977   4.157  13.090
   88    HA   ARG  12           HA       ARG  12  -0.176   1.921  12.967
   89   1HB   ARG  12          2HB       ARG  12  -0.173   2.255  10.552
   90   2HB   ARG  12          1HB       ARG  12  -1.782   2.534  11.159
   91   1HG   ARG  12          2HG       ARG  12  -1.545   4.305   9.655
   92   2HG   ARG  12          1HG       ARG  12  -1.170   5.030  11.202
   93   1HD   ARG  12          2HD       ARG  12   0.395   5.704   9.352
   94   2HD   ARG  12          1HD       ARG  12   1.229   5.029  10.725
   95    HE   ARG  12           HE       ARG  12   0.503   3.365   8.336
   96   1HH1  ARG  12          2HH1      ARG  12   2.886   4.504  10.617
   97   2HH1  ARG  12          1HH1      ARG  12   4.106   3.453   9.999
   98   1HH2  ARG  12          1HH2      ARG  12   2.048   2.051   7.570
   99   2HH2  ARG  12          2HH2      ARG  12   3.635   2.051   8.262
  100    H    ARG  13           H        ARG  13   0.317   5.256  13.395
  101    HA   ARG  13           HA       ARG  13   2.953   5.527  12.316
  102   1HB   ARG  13          2HB       ARG  13   1.463   7.462  13.049
  103   2HB   ARG  13          1HB       ARG  13   1.684   6.969  14.712
  104   1HG   ARG  13          2HG       ARG  13   3.270   8.679  14.505
  105   2HG   ARG  13          1HG       ARG  13   4.263   7.273  14.206
  106   1HD   ARG  13          2HD       ARG  13   3.018   9.040  12.066
  107   2HD   ARG  13          1HD       ARG  13   4.717   9.049  12.523
  108    HE   ARG  13           HE       ARG  13   4.554   6.506  11.823
  109   1HH1  ARG  13          2HH1      ARG  13   2.995   9.218  10.286
  110   2HH1  ARG  13          1HH1      ARG  13   2.971   8.445   8.740
  111   1HH2  ARG  13          1HH2      ARG  13   4.521   5.548   9.873
  112   2HH2  ARG  13          2HH2      ARG  13   3.848   6.353   8.497
  113    H    ASN  14           H        ASN  14   1.641   4.604  15.392
  114    HA   ASN  14           HA       ASN  14   4.175   4.143  16.731
  115   1HB   ASN  14          2HB       ASN  14   1.391   3.155  17.494
  116   2HB   ASN  14          1HB       ASN  14   2.781   3.274  18.560
  117   1HD2  ASN  14          1HD2      ASN  14   3.813   5.737  18.238
  118   2HD2  ASN  14          2HD2      ASN  14   2.652   6.951  18.480
  119    H    HIS  15           H        HIS  15   1.999   2.239  14.796
  120    HA   HIS  15           HA       HIS  15   3.309  -0.306  15.543
  121   1HB   HIS  15          2HB       HIS  15   1.049   0.296  13.576
  122   2HB   HIS  15          1HB       HIS  15   1.613  -1.307  14.006
  123    HD1  HIS  15           HD1      HIS  15   1.715  -1.227  16.959
  124    HD2  HIS  15           HD2      HIS  15  -1.250   0.734  14.957
  125    HE1  HIS  15           HE1      HIS  15  -0.129  -0.928  18.571
  126    H    LYS  16           H        LYS  16   2.362   0.907  12.414
  127    HA   LYS  16           HA       LYS  16   3.403   1.101  10.366
  128   1HB   LYS  16          2HB       LYS  16   4.960   2.487  11.790
  129   2HB   LYS  16          1HB       LYS  16   5.997   1.095  11.979
  130   1HG   LYS  16          2HG       LYS  16   6.477   0.961   9.612
  131   2HG   LYS  16          1HG       LYS  16   5.329   2.226   9.239
  132   1HD   LYS  16          2HD       LYS  16   7.715   2.691  11.077
  133   2HD   LYS  16          1HD       LYS  16   7.852   2.838   9.341
  134   1HE   LYS  16          2HE       LYS  16   7.460   5.057  10.276
  135   2HE   LYS  16          1HE       LYS  16   6.040   4.580   9.367
  136   1HZ   LYS  16          1HZ       LYS  16   5.844   5.600  11.729
  137   2HZ   LYS  16          2HZ       LYS  16   6.129   4.005  12.238
  138   3HZ   LYS  16          3HZ       LYS  16   4.799   4.357  11.242
  139    H    LYS  17           H        LYS  17   3.854  -1.549  12.326
  140    HA   LYS  17           HA       LYS  17   4.630  -3.222  10.013
  141   1HB   LYS  17          2HB       LYS  17   6.262  -4.478  11.395
  142   2HB   LYS  17          1HB       LYS  17   6.721  -2.787  11.340
  143   1HG   LYS  17          2HG       LYS  17   5.541  -2.453  13.572
  144   2HG   LYS  17          1HG       LYS  17   5.260  -4.178  13.637
  145   1HD   LYS  17          2HD       LYS  17   8.009  -2.875  13.479
  146   2HD   LYS  17          1HD       LYS  17   7.270  -3.480  14.945
  147   1HE   LYS  17          2HE       LYS  17   7.200  -5.780  13.956
  148   2HE   LYS  17          1HE       LYS  17   7.994  -5.170  12.509
  149   1HZ   LYS  17          1HZ       LYS  17   9.110  -5.042  15.243
  150   2HZ   LYS  17          2HZ       LYS  17   9.873  -4.516  13.820
  151   3HZ   LYS  17          3HZ       LYS  17   9.546  -6.167  14.048
  152    H    PHE  18           H        PHE  18   2.841  -2.794  12.884
  153    HA   PHE  18           HA       PHE  18   2.099  -5.516  13.401
  154   1HB   PHE  18          2HB       PHE  18   1.679  -3.354  14.796
  155   2HB   PHE  18          1HB       PHE  18   0.273  -3.118  13.789
  156    HD1  PHE  18           HD1      PHE  18  -1.493  -5.008  13.674
  157    HD2  PHE  18           HD2      PHE  18   1.610  -4.948  16.597
  158    HE1  PHE  18           HE1      PHE  18  -2.731  -6.631  15.031
  159    HE2  PHE  18           HE2      PHE  18   0.361  -6.566  17.949
  160    HZ   PHE  18           HZ       PHE  18  -1.813  -7.411  17.170
  161    H    CYS  19           H        CYS  19   1.239  -3.122  11.193
  162    HA   CYS  19           HA       CYS  19  -1.234  -3.707  10.116
  163   1HB   CYS  19          2HB       CYS  19   1.339  -2.893   8.823
  164   2HB   CYS  19          1HB       CYS  19  -0.077  -3.095   7.831
  165   1HN   NH2  20          1HT       CYS  19  -2.179  -5.415   9.007
  166   2HN   NH2  20          2HT       CYS  19  -1.340  -6.747   8.375
  Start of MODEL   18
    1   1H    PHE   1          1H        PHE   1  -9.683  -5.341  17.303
    2   2H    PHE   1          2H        PHE   1  -9.214  -5.236  18.932
    3   3H    PHE   1          3H        PHE   1  -8.631  -6.501  17.961
    4    HA   PHE   1           HA       PHE   1  -8.045  -3.630  17.504
    5   1HB   PHE   1          2HB       PHE   1  -6.955  -4.604  19.605
    6   2HB   PHE   1          1HB       PHE   1  -6.266  -5.886  18.630
    7    HD1  PHE   1           HD1      PHE   1  -4.305  -5.470  17.253
    8    HD2  PHE   1           HD2      PHE   1  -6.251  -2.224  19.214
    9    HE1  PHE   1           HE1      PHE   1  -2.418  -3.996  16.703
   10    HE2  PHE   1           HE2      PHE   1  -4.361  -0.765  18.663
   11    HZ   PHE   1           HZ       PHE   1  -2.442  -1.647  17.407
   12    H    ASN   2           H        ASN   2  -6.435  -6.739  16.871
   13    HA   ASN   2           HA       ASN   2  -5.521  -7.518  14.793
   14   1HB   ASN   2          2HB       ASN   2  -8.320  -6.863  14.472
   15   2HB   ASN   2          1HB       ASN   2  -7.519  -6.403  12.993
   16   1HD2  ASN   2          1HD2      ASN   2  -5.439  -8.506  13.105
   17   2HD2  ASN   2          2HD2      ASN   2  -6.237  -9.979  12.833
   18    H    TRP   3           H        TRP   3  -5.750  -6.318  12.332
   19    HA   TRP   3           HA       TRP   3  -3.633  -4.282  12.493
   20   1HB   TRP   3          2HB       TRP   3  -4.610  -4.616   9.738
   21   2HB   TRP   3          1HB       TRP   3  -3.087  -5.162  10.411
   22    HD1  TRP   3           HD1      TRP   3  -2.785  -7.805  10.529
   23    HE1  TRP   3           HE1      TRP   3  -4.426  -9.674  10.375
   24    HE3  TRP   3           HE3      TRP   3  -7.091  -5.194  10.359
   25    HZ2  TRP   3           HZ2      TRP   3  -7.250 -10.132  10.230
   26    HZ3  TRP   3           HZ3      TRP   3  -9.268  -6.357  10.244
   27    HH2  TRP   3           HH2      TRP   3  -9.338  -8.826  10.195
   28    H    ARG   4           H        ARG   4  -6.562  -3.846  13.306
   29    HA   ARG   4           HA       ARG   4  -7.775  -1.974  11.575
   30   1HB   ARG   4          2HB       ARG   4  -7.860  -2.155  14.594
   31   2HB   ARG   4          1HB       ARG   4  -8.856  -1.065  13.678
   32   1HG   ARG   4          2HG       ARG   4  -8.851  -4.108  13.309
   33   2HG   ARG   4          1HG       ARG   4 -10.054  -3.228  14.226
   34   1HD   ARG   4          2HD       ARG   4  -9.525  -3.023  11.214
   35   2HD   ARG   4          1HD       ARG   4 -10.941  -3.702  11.987
   36    HE   ARG   4           HE       ARG   4 -10.399  -0.872  11.573
   37   1HH1  ARG   4          2HH1      ARG   4 -12.073  -3.203  13.520
   38   2HH1  ARG   4          1HH1      ARG   4 -13.285  -2.076  14.023
   39   1HH2  ARG   4          1HH2      ARG   4 -11.920   0.566  12.197
   40   2HH2  ARG   4          2HH2      ARG   4 -13.199   0.092  13.264
   41    H    CYS   5           H        CYS   5  -5.363  -1.628  14.038
   42    HA   CYS   5           HA       CYS   5  -5.185   1.227  14.071
   43   1HB   CYS   5          2HB       CYS   5  -3.647  -1.057  15.121
   44   2HB   CYS   5          1HB       CYS   5  -2.661   0.344  14.784
   45    H    CYS   6           H        CYS   6  -3.939  -1.130  11.887
   46    HA   CYS   6           HA       CYS   6  -1.787   0.333  10.661
   47   1HB   CYS   6          2HB       CYS   6  -2.287  -2.056  10.232
   48   2HB   CYS   6          1HB       CYS   6  -3.675  -1.563   9.286
   49    H    LEU   7           H        LEU   7  -5.234   0.273  10.373
   50    HA   LEU   7           HA       LEU   7  -5.477   2.022   8.052
   51   1HB   LEU   7          2HB       LEU   7  -7.662   1.256  10.036
   52   2HB   LEU   7          1HB       LEU   7  -7.867   1.780   8.383
   53    HG   LEU   7           HG       LEU   7  -6.506  -0.837   9.201
   54   1HD1  LEU   7          1HD1      LEU   7  -8.939  -0.852   9.668
   55   2HD1  LEU   7          2HD1      LEU   7  -8.559  -1.912   8.323
   56   3HD1  LEU   7          3HD1      LEU   7  -9.272  -0.334   8.023
   57   1HD2  LEU   7          1HD2      LEU   7  -5.675   0.061   7.020
   58   2HD2  LEU   7          2HD2      LEU   7  -7.329   0.203   6.448
   59   3HD2  LEU   7          3HD2      LEU   7  -6.642  -1.378   6.780
   60    H    ILE   8           H        ILE   8  -5.536   2.352  11.537
   61    HA   ILE   8           HA       ILE   8  -6.558   5.089  11.474
   62    HB   ILE   8           HB       ILE   8  -5.135   3.635  13.774
   63   1HG1  ILE   8          2HG1      ILE   8  -8.133   3.974  13.240
   64   2HG1  ILE   8          1HG1      ILE   8  -7.261   2.490  12.935
   65   1HG2  ILE   8          1HG2      ILE   8  -6.941   6.108  13.721
   66   2HG2  ILE   8          2HG2      ILE   8  -5.201   6.145  13.950
   67   3HG2  ILE   8          3HG2      ILE   8  -6.225   5.422  15.166
   68   1HD1  ILE   8          1HD1      ILE   8  -8.390   2.375  15.115
   69   2HD1  ILE   8          2HD1      ILE   8  -7.556   3.814  15.664
   70   3HD1  ILE   8          3HD1      ILE   8  -6.652   2.342  15.349
   71    HA   PRO   9           HA       PRO   9  -2.516   6.656  10.494
   72   1HB   PRO   9          2HB       PRO   9  -2.971   9.354  10.772
   73   2HB   PRO   9          1HB       PRO   9  -3.637   8.419   9.435
   74   1HG   PRO   9          2HG       PRO   9  -5.003   9.349  11.951
   75   2HG   PRO   9          1HG       PRO   9  -5.693   9.188  10.348
   76   1HD   PRO   9          2HD       PRO   9  -6.073   7.374  12.360
   77   2HD   PRO   9          1HD       PRO   9  -6.274   7.018  10.638
   78    H    ALA  10           H        ALA  10  -4.117   7.919  13.305
   79    HA   ALA  10           HA       ALA  10  -1.786   8.814  14.719
   80   1HB   ALA  10          1HB       ALA  10  -4.044   9.648  15.221
   81   2HB   ALA  10          2HB       ALA  10  -3.334   8.947  16.667
   82   3HB   ALA  10          3HB       ALA  10  -4.540   8.050  15.755
   83    H    CYS  11           H        CYS  11  -2.886   5.675  14.120
   84    HA   CYS  11           HA       CYS  11  -1.373   4.601  16.475
   85   1HB   CYS  11          2HB       CYS  11  -3.877   4.084  16.157
   86   2HB   CYS  11          1HB       CYS  11  -3.365   3.078  14.852
   87    H    ARG  12           H        ARG  12  -1.957   4.212  13.049
   88    HA   ARG  12           HA       ARG  12  -0.219   1.969  12.632
   89   1HB   ARG  12          2HB       ARG  12  -0.228   2.519  10.278
   90   2HB   ARG  12          1HB       ARG  12  -1.815   2.850  10.893
   91   1HG   ARG  12          2HG       ARG  12  -1.527   4.762   9.647
   92   2HG   ARG  12          1HG       ARG  12  -0.887   5.324  11.173
   93   1HD   ARG  12          2HD       ARG  12   0.611   5.933   9.260
   94   2HD   ARG  12          1HD       ARG  12   1.451   4.894  10.386
   95    HE   ARG  12           HE       ARG  12   1.526   3.220   8.759
   96   1HH1  ARG  12          2HH1      ARG  12  -0.795   5.645   7.888
   97   2HH1  ARG  12          1HH1      ARG  12  -1.053   4.986   6.308
   98   1HH2  ARG  12          1HH2      ARG  12   1.215   2.373   6.772
   99   2HH2  ARG  12          2HH2      ARG  12   0.102   3.106   5.665
  100    H    ARG  13           H        ARG  13   0.372   5.373  12.867
  101    HA   ARG  13           HA       ARG  13   3.092   5.445  12.010
  102   1HB   ARG  13          2HB       ARG  13   3.150   7.638  13.152
  103   2HB   ARG  13          1HB       ARG  13   1.670   7.458  12.231
  104   1HG   ARG  13          2HG       ARG  13   0.477   6.751  14.351
  105   2HG   ARG  13          1HG       ARG  13   1.952   7.035  15.247
  106   1HD   ARG  13          2HD       ARG  13   0.452   9.156  13.654
  107   2HD   ARG  13          1HD       ARG  13   0.449   9.006  15.405
  108    HE   ARG  13           HE       ARG  13   2.569  10.142  13.780
  109   1HH1  ARG  13          2HH1      ARG  13   1.857   8.474  16.739
  110   2HH1  ARG  13          1HH1      ARG  13   3.266   9.077  17.543
  111   1HH2  ARG  13          1HH2      ARG  13   4.350  10.911  14.781
  112   2HH2  ARG  13          2HH2      ARG  13   4.699  10.477  16.421
  113    H    ASN  14           H        ASN  14   1.616   4.542  14.994
  114    HA   ASN  14           HA       ASN  14   3.968   4.704  16.652
  115   1HB   ASN  14          2HB       ASN  14   1.638   4.759  17.563
  116   2HB   ASN  14          1HB       ASN  14   1.417   3.087  17.074
  117   1HD2  ASN  14          1HD2      ASN  14   2.813   1.439  18.129
  118   2HD2  ASN  14          2HD2      ASN  14   3.440   1.747  19.677
  119    H    HIS  15           H        HIS  15   2.270   1.926  15.239
  120    HA   HIS  15           HA       HIS  15   4.602   0.211  15.871
  121   1HB   HIS  15          2HB       HIS  15   3.154  -1.685  15.278
  122   2HB   HIS  15          1HB       HIS  15   2.364  -0.635  16.431
  123    HD1  HIS  15           HD1      HIS  15   2.221  -1.438  12.784
  124    HD2  HIS  15           HD2      HIS  15  -0.081   0.404  15.606
  125    HE1  HIS  15           HE1      HIS  15   0.036  -1.006  11.722
  126    H    LYS  16           H        LYS  16   2.687   0.922  12.986
  127    HA   LYS  16           HA       LYS  16   3.171   0.829  10.713
  128   1HB   LYS  16          2HB       LYS  16   6.006   1.170  11.783
  129   2HB   LYS  16          1HB       LYS  16   5.648   1.160  10.084
  130   1HG   LYS  16          2HG       LYS  16   4.503   3.141  12.103
  131   2HG   LYS  16          1HG       LYS  16   5.847   3.470  11.043
  132   1HD   LYS  16          2HD       LYS  16   3.004   2.846  10.087
  133   2HD   LYS  16          1HD       LYS  16   3.742   4.429  10.133
  134   1HE   LYS  16          2HE       LYS  16   4.702   2.099   8.417
  135   2HE   LYS  16          1HE       LYS  16   3.843   3.520   7.860
  136   1HZ   LYS  16          1HZ       LYS  16   6.564   3.386   8.990
  137   2HZ   LYS  16          2HZ       LYS  16   5.715   4.847   8.827
  138   3HZ   LYS  16          3HZ       LYS  16   6.084   3.921   7.451
  139    H    LYS  17           H        LYS  17   3.898  -1.581  12.701
  140    HA   LYS  17           HA       LYS  17   4.724  -3.427  10.511
  141   1HB   LYS  17          2HB       LYS  17   6.050  -4.695  12.193
  142   2HB   LYS  17          1HB       LYS  17   6.596  -3.029  12.105
  143   1HG   LYS  17          2HG       LYS  17   5.060  -2.508  14.085
  144   2HG   LYS  17          1HG       LYS  17   4.740  -4.223  14.212
  145   1HD   LYS  17          2HD       LYS  17   7.116  -4.695  14.606
  146   2HD   LYS  17          1HD       LYS  17   7.517  -2.999  14.398
  147   1HE   LYS  17          2HE       LYS  17   5.684  -4.121  16.566
  148   2HE   LYS  17          1HE       LYS  17   7.331  -3.556  16.810
  149   1HZ   LYS  17          1HZ       LYS  17   6.321  -1.425  15.658
  150   2HZ   LYS  17          2HZ       LYS  17   6.229  -1.682  17.335
  151   3HZ   LYS  17          3HZ       LYS  17   4.896  -2.036  16.345
  152    H    PHE  18           H        PHE  18   2.579  -2.909  13.180
  153    HA   PHE  18           HA       PHE  18   1.695  -5.590  13.558
  154   1HB   PHE  18          2HB       PHE  18   1.184  -3.361  14.845
  155   2HB   PHE  18          1HB       PHE  18  -0.136  -3.191  13.719
  156    HD1  PHE  18           HD1      PHE  18  -1.852  -5.148  13.532
  157    HD2  PHE  18           HD2      PHE  18   1.011  -4.894  16.683
  158    HE1  PHE  18           HE1      PHE  18  -3.143  -6.767  14.848
  159    HE2  PHE  18           HE2      PHE  18  -0.290  -6.507  17.991
  160    HZ   PHE  18           HZ       PHE  18  -2.370  -7.446  17.076
  161    H    CYS  19           H        CYS  19   1.218  -3.232  11.209
  162    HA   CYS  19           HA       CYS  19  -1.145  -3.802   9.867
  163   1HB   CYS  19          2HB       CYS  19   1.577  -3.077   8.818
  164   2HB   CYS  19          1HB       CYS  19   0.226  -3.231   7.726
  165   1HN   NH2  20          1HT       CYS  19   1.911  -5.632   9.468
  166   2HN   NH2  20          2HT       CYS  19   1.202  -6.942   8.650
  Start of MODEL   19
    1   1H    PHE   1          1H        PHE   1  -8.173  -4.059  17.840
    2   2H    PHE   1          2H        PHE   1  -7.000  -4.086  19.069
    3   3H    PHE   1          3H        PHE   1  -7.249  -5.460  18.103
    4    HA   PHE   1           HA       PHE   1  -6.270  -2.851  17.103
    5   1HB   PHE   1          2HB       PHE   1  -4.595  -4.093  18.593
    6   2HB   PHE   1          1HB       PHE   1  -4.805  -5.537  17.632
    7    HD1  PHE   1           HD1      PHE   1  -3.273  -2.204  17.764
    8    HD2  PHE   1           HD2      PHE   1  -3.810  -5.667  15.333
    9    HE1  PHE   1           HE1      PHE   1  -1.477  -1.451  16.270
   10    HE2  PHE   1           HE2      PHE   1  -2.029  -4.903  13.850
   11    HZ   PHE   1           HZ       PHE   1  -0.853  -2.794  14.311
   12    H    ASN   2           H        ASN   2  -5.647  -6.160  16.033
   13    HA   ASN   2           HA       ASN   2  -5.990  -7.085  13.815
   14   1HB   ASN   2          2HB       ASN   2  -8.460  -6.390  15.000
   15   2HB   ASN   2          1HB       ASN   2  -8.551  -5.646  13.418
   16   1HD2  ASN   2          1HD2      ASN   2 -10.129  -7.900  14.276
   17   2HD2  ASN   2          2HD2      ASN   2  -9.718  -9.222  13.294
   18    H    TRP   3           H        TRP   3  -7.355  -5.802  11.767
   19    HA   TRP   3           HA       TRP   3  -5.234  -3.986  10.841
   20   1HB   TRP   3          2HB       TRP   3  -7.705  -4.028   9.158
   21   2HB   TRP   3          1HB       TRP   3  -6.074  -4.493   8.706
   22    HD1  TRP   3           HD1      TRP   3  -5.524  -7.173   8.707
   23    HE1  TRP   3           HE1      TRP   3  -6.999  -9.113   9.231
   24    HE3  TRP   3           HE3      TRP   3  -9.452  -4.747  10.648
   25    HZ2  TRP   3           HZ2      TRP   3  -9.574  -9.690  10.387
   26    HZ3  TRP   3           HZ3      TRP   3 -11.423  -5.989  11.501
   27    HH2  TRP   3           HH2      TRP   3 -11.460  -8.456  11.381
   28    H    ARG   4           H        ARG   4  -8.145  -3.856  12.505
   29    HA   ARG   4           HA       ARG   4  -9.270  -1.398  11.878
   30   1HB   ARG   4          2HB       ARG   4  -9.517  -3.356  13.967
   31   2HB   ARG   4          1HB       ARG   4  -9.372  -1.809  14.762
   32   1HG   ARG   4          2HG       ARG   4 -11.685  -2.001  14.440
   33   2HG   ARG   4          1HG       ARG   4 -11.215  -1.003  13.085
   34   1HD   ARG   4          2HD       ARG   4 -11.672  -4.024  12.964
   35   2HD   ARG   4          1HD       ARG   4 -12.790  -2.790  12.403
   36    HE   ARG   4           HE       ARG   4 -10.100  -2.750  11.184
   37   1HH1  ARG   4          2HH1      ARG   4 -13.427  -3.718  10.940
   38   2HH1  ARG   4          1HH1      ARG   4 -13.340  -3.923   9.225
   39   1HH2  ARG   4          1HH2      ARG   4  -9.982  -3.010   9.041
   40   2HH2  ARG   4          2HH2      ARG   4 -11.366  -3.519   8.133
   41    H    CYS   5           H        CYS   5  -6.380  -2.033  13.603
   42    HA   CYS   5           HA       CYS   5  -6.148   0.761  14.581
   43   1HB   CYS   5          2HB       CYS   5  -5.430  -1.464  15.750
   44   2HB   CYS   5          1HB       CYS   5  -4.042  -1.374  14.716
   45    H    CYS   6           H        CYS   6  -4.740  -1.495  12.303
   46    HA   CYS   6           HA       CYS   6  -2.624   0.049  11.234
   47   1HB   CYS   6          2HB       CYS   6  -4.426  -1.800   9.645
   48   2HB   CYS   6          1HB       CYS   6  -2.793  -1.355   9.262
   49    H    LEU   7           H        LEU   7  -6.033   0.330  10.798
   50    HA   LEU   7           HA       LEU   7  -5.937   1.983   8.389
   51   1HB   LEU   7          2HB       LEU   7  -8.171   1.426  10.392
   52   2HB   LEU   7          1HB       LEU   7  -8.399   2.331   8.911
   53    HG   LEU   7           HG       LEU   7  -7.429  -0.568   8.994
   54   1HD1  LEU   7          1HD1      LEU   7 -10.190   0.560   8.360
   55   2HD1  LEU   7          2HD1      LEU   7  -9.776  -0.357   9.801
   56   3HD1  LEU   7          3HD1      LEU   7  -9.719  -1.126   8.225
   57   1HD2  LEU   7          1HD2      LEU   7  -8.398   1.160   6.673
   58   2HD2  LEU   7          2HD2      LEU   7  -7.946  -0.534   6.570
   59   3HD2  LEU   7          3HD2      LEU   7  -6.732   0.673   6.938
   60    H    ILE   8           H        ILE   8  -5.932   2.480  11.817
   61    HA   ILE   8           HA       ILE   8  -6.512   5.333  11.667
   62    HB   ILE   8           HB       ILE   8  -5.301   3.729  13.981
   63   1HG1  ILE   8          2HG1      ILE   8  -8.221   4.488  13.466
   64   2HG1  ILE   8          1HG1      ILE   8  -7.568   2.891  13.175
   65   1HG2  ILE   8          1HG2      ILE   8  -6.728   6.437  13.905
   66   2HG2  ILE   8          2HG2      ILE   8  -4.999   6.224  14.116
   67   3HG2  ILE   8          3HG2      ILE   8  -6.102   5.675  15.354
   68   1HD1  ILE   8          1HD1      ILE   8  -8.682   2.964  15.364
   69   2HD1  ILE   8          2HD1      ILE   8  -7.645   4.276  15.887
   70   3HD1  ILE   8          3HD1      ILE   8  -6.963   2.688  15.578
   71    HA   PRO   9           HA       PRO   9  -2.318   6.273  10.525
   72   1HB   PRO   9          2HB       PRO   9  -2.330   9.005  10.914
   73   2HB   PRO   9          1HB       PRO   9  -3.145   8.229   9.556
   74   1HG   PRO   9          2HG       PRO   9  -4.323   9.276  12.117
   75   2HG   PRO   9          1HG       PRO   9  -5.044   9.277  10.520
   76   1HD   PRO   9          2HD       PRO   9  -5.705   7.491  12.473
   77   2HD   PRO   9          1HD       PRO   9  -5.929   7.190  10.745
   78    H    ALA  10           H        ALA  10  -3.632   7.623  13.441
   79    HA   ALA  10           HA       ALA  10  -1.242   8.243  14.848
   80   1HB   ALA  10          1HB       ALA  10  -2.681   8.142  16.885
   81   2HB   ALA  10          2HB       ALA  10  -3.934   7.336  15.952
   82   3HB   ALA  10          3HB       ALA  10  -3.489   8.994  15.577
   83    H    CYS  11           H        CYS  11  -2.898   5.242  14.357
   84    HA   CYS  11           HA       CYS  11  -1.332   3.755  16.353
   85   1HB   CYS  11          2HB       CYS  11  -3.630   3.026  15.818
   86   2HB   CYS  11          1HB       CYS  11  -3.171   2.824  14.150
   87    H    ARG  12           H        ARG  12  -1.783   3.705  12.890
   88    HA   ARG  12           HA       ARG  12   0.215   1.984  12.032
   89   1HB   ARG  12          2HB       ARG  12  -1.540   2.942  10.609
   90   2HB   ARG  12          1HB       ARG  12  -0.858   4.539  10.761
   91   1HG   ARG  12          2HG       ARG  12   0.823   2.304   9.589
   92   2HG   ARG  12          1HG       ARG  12  -0.410   3.048   8.596
   93   1HD   ARG  12          2HD       ARG  12   1.912   4.538   9.913
   94   2HD   ARG  12          1HD       ARG  12   1.749   4.151   8.217
   95    HE   ARG  12           HE       ARG  12  -0.246   5.610   8.128
   96   1HH1  ARG  12          2HH1      ARG  12   1.869   5.970  10.876
   97   2HH1  ARG  12          1HH1      ARG  12   1.321   7.577  11.196
   98   1HH2  ARG  12          1HH2      ARG  12  -0.921   7.630   8.542
   99   2HH2  ARG  12          2HH2      ARG  12  -0.267   8.527   9.872
  100    H    ARG  13           H        ARG  13   0.469   5.211  13.195
  101    HA   ARG  13           HA       ARG  13   3.106   5.907  12.316
  102   1HB   ARG  13          2HB       ARG  13   1.413   7.505  13.276
  103   2HB   ARG  13          1HB       ARG  13   1.606   6.761  14.842
  104   1HG   ARG  13          2HG       ARG  13   3.897   8.085  13.334
  105   2HG   ARG  13          1HG       ARG  13   2.875   8.948  14.463
  106   1HD   ARG  13          2HD       ARG  13   3.573   7.281  16.263
  107   2HD   ARG  13          1HD       ARG  13   4.743   6.626  15.117
  108    HE   ARG  13           HE       ARG  13   5.081   9.444  15.245
  109   1HH1  ARG  13          2HH1      ARG  13   5.538   6.540  17.077
  110   2HH1  ARG  13          1HH1      ARG  13   6.884   7.172  17.964
  111   1HH2  ARG  13          1HH2      ARG  13   6.784  10.271  16.357
  112   2HH2  ARG  13          2HH2      ARG  13   7.601   9.318  17.551
  113    H    ASN  14           H        ASN  14   1.982   4.779  15.461
  114    HA   ASN  14           HA       ASN  14   4.670   3.898  16.260
  115   1HB   ASN  14          2HB       ASN  14   3.114   5.063  17.839
  116   2HB   ASN  14          1HB       ASN  14   1.982   3.727  17.703
  117   1HD2  ASN  14          1HD2      ASN  14   2.311   1.950  19.063
  118   2HD2  ASN  14          2HD2      ASN  14   3.664   1.752  20.069
  119    H    HIS  15           H        HIS  15   2.574   2.568  14.228
  120    HA   HIS  15           HA       HIS  15   3.401  -0.189  14.913
  121   1HB   HIS  15          2HB       HIS  15   0.488   0.648  14.446
  122   2HB   HIS  15          1HB       HIS  15   1.022  -1.016  14.548
  123    HD1  HIS  15           HD1      HIS  15   2.320  -1.519  16.908
  124    HD2  HIS  15           HD2      HIS  15  -0.142   1.736  16.924
  125    HE1  HIS  15           HE1      HIS  15   1.864  -1.006  19.275
  126    H    LYS  16           H        LYS  16   4.563   1.205  12.983
  127    HA   LYS  16           HA       LYS  16   3.472   1.112  10.405
  128   1HB   LYS  16          2HB       LYS  16   6.353   0.960  11.388
  129   2HB   LYS  16          1HB       LYS  16   5.967   1.080   9.685
  130   1HG   LYS  16          2HG       LYS  16   5.018   3.102  11.755
  131   2HG   LYS  16          1HG       LYS  16   6.508   3.277  10.850
  132   1HD   LYS  16          2HD       LYS  16   5.221   3.201   8.707
  133   2HD   LYS  16          1HD       LYS  16   3.723   3.044   9.600
  134   1HE   LYS  16          2HE       LYS  16   4.076   5.393   8.942
  135   2HE   LYS  16          1HE       LYS  16   4.149   5.245  10.690
  136   1HZ   LYS  16          1HZ       LYS  16   5.932   6.594   9.539
  137   2HZ   LYS  16          2HZ       LYS  16   6.585   5.106   9.043
  138   3HZ   LYS  16          3HZ       LYS  16   6.436   5.457  10.697
  139    H    LYS  17           H        LYS  17   6.159  -0.998  11.245
  140    HA   LYS  17           HA       LYS  17   5.138  -3.101   9.475
  141   1HB   LYS  17          2HB       LYS  17   7.683  -2.265  10.166
  142   2HB   LYS  17          1HB       LYS  17   7.507  -3.582  11.298
  143   1HG   LYS  17          2HG       LYS  17   7.243  -3.780   8.269
  144   2HG   LYS  17          1HG       LYS  17   8.618  -4.310   9.212
  145   1HD   LYS  17          2HD       LYS  17   7.087  -5.964  10.393
  146   2HD   LYS  17          1HD       LYS  17   5.819  -5.495   9.264
  147   1HE   LYS  17          2HE       LYS  17   7.213  -6.177   7.349
  148   2HE   LYS  17          1HE       LYS  17   8.499  -6.660   8.448
  149   1HZ   LYS  17          1HZ       LYS  17   7.053  -8.279   9.427
  150   2HZ   LYS  17          2HZ       LYS  17   7.121  -8.515   7.745
  151   3HZ   LYS  17          3HZ       LYS  17   5.759  -7.779   8.446
  152    H    PHE  18           H        PHE  18   4.764  -2.205  12.652
  153    HA   PHE  18           HA       PHE  18   4.558  -4.625  14.101
  154   1HB   PHE  18          2HB       PHE  18   4.379  -2.227  14.952
  155   2HB   PHE  18          1HB       PHE  18   2.754  -2.209  14.321
  156    HD1  PHE  18           HD1      PHE  18   4.864  -3.508  17.021
  157    HD2  PHE  18           HD2      PHE  18   0.978  -3.611  15.284
  158    HE1  PHE  18           HE1      PHE  18   3.974  -4.536  19.063
  159    HE2  PHE  18           HE2      PHE  18   0.088  -4.639  17.326
  160    HZ   PHE  18           HZ       PHE  18   1.587  -5.104  19.221
  161    H    CYS  19           H        CYS  19   2.503  -2.975  11.929
  162    HA   CYS  19           HA       CYS  19   0.146  -4.671  12.242
  163   1HB   CYS  19          2HB       CYS  19  -0.095  -2.377  11.394
  164   2HB   CYS  19          1HB       CYS  19   0.927  -2.742  10.024
  165   1HN   NH2  20          1HT       CYS  19   2.898  -4.601   9.971
  166   2HN   NH2  20          2HT       CYS  19   2.548  -6.091   9.236
  Start of MODEL   20
    1   1H    PHE   1          1H        PHE   1  -9.924  -5.286  17.922
    2   2H    PHE   1          2H        PHE   1  -9.008  -5.631  19.312
    3   3H    PHE   1          3H        PHE   1  -8.911  -6.650  17.955
    4    HA   PHE   1           HA       PHE   1  -8.140  -3.799  17.852
    5   1HB   PHE   1          2HB       PHE   1  -6.694  -5.015  19.528
    6   2HB   PHE   1          1HB       PHE   1  -6.383  -6.284  18.362
    7    HD1  PHE   1           HD1      PHE   1  -4.692  -5.988  16.648
    8    HD2  PHE   1           HD2      PHE   1  -5.829  -2.681  19.090
    9    HE1  PHE   1           HE1      PHE   1  -2.792  -4.697  15.787
   10    HE2  PHE   1           HE2      PHE   1  -3.923  -1.399  18.224
   11    HZ   PHE   1           HZ       PHE   1  -2.407  -2.398  16.583
   12    H    ASN   2           H        ASN   2  -6.820  -6.818  16.535
   13    HA   ASN   2           HA       ASN   2  -6.374  -7.345  14.204
   14   1HB   ASN   2          2HB       ASN   2  -9.118  -6.066  13.913
   15   2HB   ASN   2          1HB       ASN   2  -8.358  -7.205  12.820
   16   1HD2  ASN   2          1HD2      ASN   2  -9.034  -9.283  13.067
   17   2HD2  ASN   2          2HD2      ASN   2  -9.608  -9.968  14.512
   18    H    TRP   3           H        TRP   3  -7.646  -5.649  12.241
   19    HA   TRP   3           HA       TRP   3  -5.499  -3.642  11.940
   20   1HB   TRP   3          2HB       TRP   3  -7.465  -3.641   9.717
   21   2HB   TRP   3          1HB       TRP   3  -5.755  -4.031   9.661
   22    HD1  TRP   3           HD1      TRP   3  -5.149  -6.642   9.358
   23    HE1  TRP   3           HE1      TRP   3  -6.582  -8.679   9.454
   24    HE3  TRP   3           HE3      TRP   3  -9.493  -4.592  10.896
   25    HZ2  TRP   3           HZ2      TRP   3  -9.257  -9.479  10.114
   26    HZ3  TRP   3           HZ3      TRP   3 -11.485  -6.010  11.271
   27    HH2  TRP   3           HH2      TRP   3 -11.357  -8.448  10.896
   28    H    ARG   4           H        ARG   4  -8.446  -3.652  13.395
   29    HA   ARG   4           HA       ARG   4  -9.814  -1.399  12.476
   30   1HB   ARG   4          2HB       ARG   4  -9.548  -2.446  15.311
   31   2HB   ARG   4          1HB       ARG   4 -10.452  -1.008  14.966
   32   1HG   ARG   4          2HG       ARG   4 -12.063  -2.756  14.957
   33   2HG   ARG   4          1HG       ARG   4 -11.815  -2.344  13.275
   34   1HD   ARG   4          2HD       ARG   4 -10.266  -4.307  13.049
   35   2HD   ARG   4          1HD       ARG   4 -10.589  -4.694  14.743
   36    HE   ARG   4           HE       ARG   4 -12.889  -4.452  12.880
   37   1HH1  ARG   4          2HH1      ARG   4 -10.828  -6.475  14.824
   38   2HH1  ARG   4          1HH1      ARG   4 -11.913  -7.817  14.744
   39   1HH2  ARG   4          1HH2      ARG   4 -14.250  -6.142  12.784
   40   2HH2  ARG   4          2HH2      ARG   4 -13.869  -7.632  13.582
   41    H    CYS   5           H        CYS   5  -7.007  -1.651  14.419
   42    HA   CYS   5           HA       CYS   5  -6.796   1.235  14.999
   43   1HB   CYS   5          2HB       CYS   5  -6.181  -0.600  16.612
   44   2HB   CYS   5          1HB       CYS   5  -4.875  -1.028  15.558
   45    H    CYS   6           H        CYS   6  -4.987  -1.278  13.346
   46    HA   CYS   6           HA       CYS   6  -2.893   0.150  12.202
   47   1HB   CYS   6          2HB       CYS   6  -3.097  -2.265  12.114
   48   2HB   CYS   6          1HB       CYS   6  -4.416  -2.152  10.985
   49    H    LEU   7           H        LEU   7  -6.199   0.332  11.141
   50    HA   LEU   7           HA       LEU   7  -5.536   1.340   8.471
   51   1HB   LEU   7          2HB       LEU   7  -7.984   1.729   8.293
   52   2HB   LEU   7          1HB       LEU   7  -7.622   0.120   8.861
   53    HG   LEU   7           HG       LEU   7  -7.935   1.193  11.274
   54   1HD1  LEU   7          1HD1      LEU   7  -8.218   3.570  10.509
   55   2HD1  LEU   7          2HD1      LEU   7  -9.653   2.981  11.312
   56   3HD1  LEU   7          3HD1      LEU   7  -9.606   3.081   9.561
   57   1HD2  LEU   7          1HD2      LEU   7 -10.288   0.622   9.425
   58   2HD2  LEU   7          2HD2      LEU   7 -10.344   0.586  11.180
   59   3HD2  LEU   7          3HD2      LEU   7  -9.369  -0.585  10.310
   60    H    ILE   8           H        ILE   8  -5.783   2.586  11.585
   61    HA   ILE   8           HA       ILE   8  -6.247   5.384  10.875
   62    HB   ILE   8           HB       ILE   8  -5.233   4.204  13.524
   63   1HG1  ILE   8          2HG1      ILE   8  -8.114   4.848  12.704
   64   2HG1  ILE   8          1HG1      ILE   8  -7.460   3.224  12.789
   65   1HG2  ILE   8          1HG2      ILE   8  -4.880   6.649  13.253
   66   2HG2  ILE   8          2HG2      ILE   8  -6.086   6.354  14.480
   67   3HG2  ILE   8          3HG2      ILE   8  -6.582   6.864  12.877
   68   1HD1  ILE   8          1HD1      ILE   8  -8.706   3.736  14.837
   69   2HD1  ILE   8          2HD1      ILE   8  -7.688   5.128  15.154
   70   3HD1  ILE   8          3HD1      ILE   8  -7.004   3.509  15.209
   71    HA   PRO   9           HA       PRO   9  -1.986   5.815   9.753
   72   1HB   PRO   9          2HB       PRO   9  -1.705   8.572   9.861
   73   2HB   PRO   9          1HB       PRO   9  -2.537   7.729   8.556
   74   1HG   PRO   9          2HG       PRO   9  -3.702   9.195  10.900
   75   2HG   PRO   9          1HG       PRO   9  -4.363   9.038   9.282
   76   1HD   PRO   9          2HD       PRO   9  -5.258   7.616  11.435
   77   2HD   PRO   9          1HD       PRO   9  -5.457   7.086   9.764
   78    H    ALA  10           H        ALA  10  -3.202   7.387  12.552
   79    HA   ALA  10           HA       ALA  10  -0.718   7.952  13.892
   80   1HB   ALA  10          1HB       ALA  10  -2.152   8.241  15.909
   81   2HB   ALA  10          2HB       ALA  10  -3.501   7.514  15.048
   82   3HB   ALA  10          3HB       ALA  10  -2.842   9.052  14.511
   83    H    CYS  11           H        CYS  11  -2.799   5.141  13.816
   84    HA   CYS  11           HA       CYS  11  -1.416   3.731  15.978
   85   1HB   CYS  11          2HB       CYS  11  -3.801   3.219  15.232
   86   2HB   CYS  11          1HB       CYS  11  -3.102   2.557  13.775
   87    H    ARG  12           H        ARG  12  -1.595   3.636  12.500
   88    HA   ARG  12           HA       ARG  12   0.279   1.588  11.947
   89   1HB   ARG  12          2HB       ARG  12  -1.209   2.567  10.232
   90   2HB   ARG  12          1HB       ARG  12  -0.383   4.103  10.356
   91   1HG   ARG  12          2HG       ARG  12   1.586   1.987   9.832
   92   2HG   ARG  12          1HG       ARG  12   0.277   1.860   8.685
   93   1HD   ARG  12          2HD       ARG  12   2.048   3.348   7.819
   94   2HD   ARG  12          1HD       ARG  12   0.557   4.250   8.065
   95    HE   ARG  12           HE       ARG  12   1.937   4.610  10.436
   96   1HH1  ARG  12          2HH1      ARG  12   2.566   5.104   7.065
   97   2HH1  ARG  12          1HH1      ARG  12   3.611   6.455   7.342
   98   1HH2  ARG  12          1HH2      ARG  12   3.263   6.339  10.804
   99   2HH2  ARG  12          2HH2      ARG  12   4.016   7.155   9.477
  100    H    ARG  13           H        ARG  13   0.599   4.952  12.709
  101    HA   ARG  13           HA       ARG  13   3.419   5.177  12.135
  102   1HB   ARG  13          2HB       ARG  13   1.884   7.134  12.174
  103   2HB   ARG  13          1HB       ARG  13   1.611   6.902  13.890
  104   1HG   ARG  13          2HG       ARG  13   4.020   7.347  14.336
  105   2HG   ARG  13          1HG       ARG  13   4.313   7.519  12.613
  106   1HD   ARG  13          2HD       ARG  13   2.759   9.459  12.544
  107   2HD   ARG  13          1HD       ARG  13   2.433   9.266  14.268
  108    HE   ARG  13           HE       ARG  13   5.248   9.471  13.904
  109   1HH1  ARG  13          2HH1      ARG  13   2.355  11.357  13.622
  110   2HH1  ARG  13          1HH1      ARG  13   3.161  12.853  13.954
  111   1HH2  ARG  13          1HH2      ARG  13   6.290  11.353  14.329
  112   2HH2  ARG  13          2HH2      ARG  13   5.422  12.852  14.361
  113    H    ASN  14           H        ASN  14   1.539   4.138  14.813
  114    HA   ASN  14           HA       ASN  14   3.682   4.257  16.794
  115   1HB   ASN  14          2HB       ASN  14   1.287   4.531  17.429
  116   2HB   ASN  14          1HB       ASN  14   0.950   2.893  16.897
  117   1HD2  ASN  14          1HD2      ASN  14   1.660   1.131  18.212
  118   2HD2  ASN  14          2HD2      ASN  14   2.259   1.361  19.784
  119    H    HIS  15           H        HIS  15   2.704   1.985  14.382
  120    HA   HIS  15           HA       HIS  15   4.854   0.160  15.188
  121   1HB   HIS  15          2HB       HIS  15   3.417  -1.786  15.643
  122   2HB   HIS  15          1HB       HIS  15   2.840  -0.474  16.631
  123    HD1  HIS  15           HD1      HIS  15   0.837  -2.572  16.018
  124    HD2  HIS  15           HD2      HIS  15   1.286   0.623  13.528
  125    HE1  HIS  15           HE1      HIS  15  -1.272  -2.372  14.752
  126    H    LYS  16           H        LYS  16   4.983   1.476  12.993
  127    HA   LYS  16           HA       LYS  16   3.711   0.811  10.654
  128   1HB   LYS  16          2HB       LYS  16   6.720   1.234  10.968
  129   2HB   LYS  16          1HB       LYS  16   5.890   1.236   9.439
  130   1HG   LYS  16          2HG       LYS  16   6.171   3.523   9.964
  131   2HG   LYS  16          1HG       LYS  16   4.484   3.175  10.236
  132   1HD   LYS  16          2HD       LYS  16   5.477   4.619  11.992
  133   2HD   LYS  16          1HD       LYS  16   4.818   3.158  12.673
  134   1HE   LYS  16          2HE       LYS  16   7.031   3.728  13.645
  135   2HE   LYS  16          1HE       LYS  16   7.144   2.204  12.788
  136   1HZ   LYS  16          1HZ       LYS  16   8.137   3.280  10.946
  137   2HZ   LYS  16          2HZ       LYS  16   8.960   3.803  12.337
  138   3HZ   LYS  16          3HZ       LYS  16   7.827   4.822  11.585
  139    H    LYS  17           H        LYS  17   6.425  -1.033  11.965
  140    HA   LYS  17           HA       LYS  17   6.351  -2.922   9.773
  141   1HB   LYS  17          2HB       LYS  17   8.404  -2.434  11.153
  142   2HB   LYS  17          1HB       LYS  17   7.646  -3.178  12.551
  143   1HG   LYS  17          2HG       LYS  17   7.473  -5.344  11.234
  144   2HG   LYS  17          1HG       LYS  17   8.348  -4.579   9.927
  145   1HD   LYS  17          2HD       LYS  17   9.437  -4.951  12.751
  146   2HD   LYS  17          1HD       LYS  17   9.775  -6.028  11.417
  147   1HE   LYS  17          2HE       LYS  17  11.666  -4.552  11.576
  148   2HE   LYS  17          1HE       LYS  17  10.761  -4.009  10.173
  149   1HZ   LYS  17          1HZ       LYS  17  10.350  -2.066  11.111
  150   2HZ   LYS  17          2HZ       LYS  17  11.555  -2.469  12.237
  151   3HZ   LYS  17          3HZ       LYS  17   9.922  -2.752  12.605
  152    H    PHE  18           H        PHE  18   5.097  -2.915  13.010
  153    HA   PHE  18           HA       PHE  18   4.129  -5.605  13.062
  154   1HB   PHE  18          2HB       PHE  18   4.251  -3.846  14.950
  155   2HB   PHE  18          1HB       PHE  18   2.756  -3.223  14.304
  156    HD1  PHE  18           HD1      PHE  18   0.648  -4.407  14.505
  157    HD2  PHE  18           HD2      PHE  18   4.244  -6.151  15.989
  158    HE1  PHE  18           HE1      PHE  18  -0.664  -6.088  15.712
  159    HE2  PHE  18           HE2      PHE  18   2.925  -7.832  17.195
  160    HZ   PHE  18           HZ       PHE  18   0.471  -7.805  17.060
  161    H    CYS  19           H        CYS  19   3.151  -2.725  11.634
  162    HA   CYS  19           HA       CYS  19   1.292  -3.842   9.744
  163   1HB   CYS  19          2HB       CYS  19   0.043  -3.798  12.113
  164   2HB   CYS  19          1HB       CYS  19  -0.211  -2.143  11.685
  165   1HN   NH2  20          1HT       CYS  19   1.488  -2.406   8.037
  166   2HN   NH2  20          2HT       CYS  19   1.700  -0.727   8.182