*HEADER    STRUCTURAL PROTEIN                      05-JUL-16   5LFY              
*TITLE     ZINC BOUND DIMER OF THE FRAGMENT OF HUMAN AMYLOID-BETA PEPTIDE WITH   
*TITLE    2 ALZHEIMER'S DISEASE PATHOGENIC TAIWANESE MUTATION D7H                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMYLOID BETA A4 PROTEIN;                                   
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: UNP RESIDUES 17-26;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ALZHEIMER'S DISEASE, AMYLOID-BETA PEPTIDE, ZINC COMPLEX, ZINC-BOUND   
*KEYWDS   2 DIMER, STRUCTURAL PROTEIN                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.I.POLSHAKOV,A.B.MANTSYZOV,S.A.KOZIN                                 
*REVDAT   1   23-AUG-17 5LFY    0                                                
# Restraints file 1: AB10_NOE_deposition.tbl
! Ambiguous
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    3 and name  HG*)  4.5 3.5 0.0 
    or (segid "   A" and resid    2 and name   HA) (segid "   B" and resid    3 and name  HG*)
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    3 and name  HB*)  4.0 3.5 0.0 
    or (segid "   A" and resid    6 and name  HD2) (segid "   B" and resid    3 and name  HB*)
assign (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HB*)  4.0 3.5 0.0 
    or (segid "   A" and resid    6 and name  HE1) (segid "   B" and resid    6 and name  HB*)
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HB*)  4.0 3.5 0.0 
    or (segid "   A" and resid    6 and name  HD2) (segid "   B" and resid    6 and name  HB*)
assign (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HB*)  4.0 3.5 0.0 
    or (segid "   A" and resid    6 and name  HE1) (segid "   B" and resid    6 and name  HB*)
assign (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HD2)  4.0 2.5 0.0 
    or (segid "   A" and resid    6 and name  HE1) (segid "   B" and resid    6 and name  HD2) 
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    7 and name  HD2)  3.5 3.0 0.0 
    or (segid "   A" and resid    6 and name  HD2) (segid "   B" and resid    7 and name  HD2)
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    6 and name  HE1)  4.0 2.5 0.0 
    or (segid "   A" and resid    7 and name  HD2) (segid "   B" and resid    6 and name  HE1)
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HB*)  4.0 3.5 0.0 
    or (segid "   A" and resid    6 and name  HD2) (segid "   B" and resid    6 and name  HB*)
assign (segid "   B" and resid    2 and name   HA) (segid "   A" and resid    3 and name  HG*)  4.5 3.5 0.0 
    or (segid "   B" and resid    2 and name   HA) (segid "   B" and resid    3 and name  HG*)
assign (segid "   B" and resid    6 and name  HD2) (segid "   A" and resid    3 and name  HB*)  4.0 3.5 0.0 
    or (segid "   B" and resid    6 and name  HD2) (segid "   B" and resid    3 and name  HB*)
assign (segid "   B" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HB*)  4.0 3.5 0.0 
    or (segid "   B" and resid    6 and name  HE1) (segid "   B" and resid    6 and name  HB*)
assign (segid "   B" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HB*)  4.0 3.5 0.0 
    or (segid "   B" and resid    6 and name  HD2) (segid "   B" and resid    6 and name  HB*)
assign (segid "   B" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HB*)  4.0 3.5 0.0 
    or (segid "   B" and resid    6 and name  HE1) (segid "   B" and resid    6 and name  HB*)
assign (segid "   B" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HD2)  4.0 2.5 0.0 
    or (segid "   B" and resid    6 and name  HE1) (segid "   B" and resid    6 and name  HD2) 
assign (segid "   B" and resid    6 and name  HD2) (segid "   A" and resid    7 and name  HD2)  3.5 3.0 0.0 
    or (segid "   B" and resid    6 and name  HD2) (segid "   B" and resid    7 and name  HD2)
assign (segid "   B" and resid    7 and name  HD2) (segid "   A" and resid    6 and name  HE1)  4.0 2.5 0.0 
    or (segid "   B" and resid    7 and name  HD2) (segid "   B" and resid    6 and name  HE1)
assign (segid "   B" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HB*)  4.0 3.5 0.0 
    or (segid "   B" and resid    6 and name  HD2) (segid "   B" and resid    6 and name  HB*)

! INTER-domain
assign (segid "   A" and resid    7 and name  HE1) (segid "   B" and resid    1 and name   HA)  5.5 4.0 0.0 
assign (segid "   A" and resid    7 and name  HE1) (segid "   B" and resid    1 and name  HB*)  5.5 4.5 0.0 
assign (segid "   A" and resid    7 and name  HE1) (segid "   B" and resid    1 and name  HB*)  5.5 4.0 0.0 
assign (segid "   A" and resid    7 and name  HE1) (segid "   B" and resid    6 and name  HE1)  3.5 3.5 0.0 

! INTRA-domain
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name   HA)  2.5 2.5 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HA)  3.0 3.0 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    5 and name   HN)  5.5 5.5 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    5 and name  HG*)  5.5 5.5 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB*)  3.0 3.0 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HN)  5.5 5.5 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    5 and name   HN)  5.0 5.0 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    6 and name  HD2)  3.5 3.5 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HB*)  3.0 3.0 0.0 
assign (segid "   A" and resid    4 and name  HB*) (segid "   A" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    4 and name  HB*) (segid "   A" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    4 and name  HD*) (segid "   A" and resid    2 and name  HB*)  2.5 3.5 0.0 
assign (segid "   A" and resid    4 and name  HE*) (segid "   A" and resid    2 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HN)  3.0 3.0 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid    4 and name  HD*) (segid "   A" and resid    4 and name   HN)  2.5 2.5 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA)  3.0 3.0 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB*)  3.0 3.0 0.0 
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB*)  3.0 3.0 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    4 and name  HD*) (segid "   A" and resid    4 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    4 and name  HD*) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    4 and name  HE*) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    4 and name  HD*) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    4 and name  HE*) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name   HN)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    2 and name  HB*)  3.0 3.0 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HN)  2.5 2.5 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA)  3.0 3.0 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name  HD*) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name  HD*) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB*)  4.5 4.5 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name   HA)  4.0 4.0 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    1 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HN)  2.5 2.5 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA)  3.0 3.0 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    3 and name  HG*)  4.0 3.5 0.0 
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HN)  2.5 2.5 0.0 
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name   HN)  2.5 2.5 0.0 
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA)  3.0 3.0 0.0 
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name  HB*)  5.5 5.5 0.0 
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HN)  4.5 4.5 0.0 
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB*)  3.0 3.0 0.0 
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB*)  3.0 3.0 0.0 
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA)  3.0 3.0 0.0 
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA*)  3.0 3.0 0.0 
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA*)  3.0 3.0 0.0 
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HA*)  3.0 3.0 0.0 
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HA*)  3.0 3.0 0.0 
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA)  3.0 3.0 0.0 
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HD1)  2.5 2.5 0.0 
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name  HD1)  2.5 2.5 0.0 
assign (segid "   A" and resid    2 and name  HB*) (segid "   A" and resid    1 and name  HB*)  4.5 4.5 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    4 and name  HD*)  4.5 4.5 0.0 
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    5 and name  HD*)  5.0 5.0 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA)  2.5 2.5 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HG*)  4.5 4.5 0.0 
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    4 and name  HD*)  4.5 4.5 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name   HA)  4.5 4.5 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HG*)  4.5 4.5 0.0 
assign (segid "   A" and resid    4 and name  HD*) (segid "   A" and resid    4 and name  HB*)  3.0 3.0 0.0 
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name  HB*)  4.5 4.5 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    1 and name  HB*)  4.5 4.5 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HD*)  4.5 4.5 0.0 
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name   HA)  4.5 4.5 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name   HN)  4.0 4.0 0.0 
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    2 and name   HA)  4.5 4.5 0.0 
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    2 and name  HB*)  5.5 5.5 0.0 
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    3 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    1 and name  HB*)  4.5 4.5 0.0 
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name   HN)  4.0 4.0 0.0 
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    3 and name   HA)  3.5 3.5 0.0 
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    3 and name  HB*)  4.0 4.0 0.0 
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    6 and name   HN)  4.5 4.0 0.0 
assign (segid "   A" and resid    7 and name  HE1) (segid "   A" and resid    6 and name  HB*)  5.5 5.5 0.0 
assign (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    6 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    1 and name   HA) (segid "   B" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    1 and name   HA) (segid "   B" and resid    1 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    1 and name   HA) (segid "   B" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    1 and name   HA)  2.5 2.5 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    1 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name   HA)  3.0 3.0 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    2 and name   HA) (segid "   B" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    5 and name   HN)  5.5 5.5 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    5 and name  HG*)  5.5 5.5 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name  HB*)  3.0 3.0 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name   HN)  5.5 5.5 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    3 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    3 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    5 and name   HN)  5.0 5.0 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    6 and name  HD2)  3.5 3.5 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    2 and name  HB*)  3.0 3.0 0.0 
assign (segid "   B" and resid    4 and name  HB*) (segid "   B" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    4 and name  HB*) (segid "   B" and resid    2 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    4 and name  HD*) (segid "   B" and resid    2 and name  HB*)  2.5 3.5 0.0 
assign (segid "   B" and resid    4 and name  HE*) (segid "   B" and resid    2 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    3 and name   HN)  3.0 3.0 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    3 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid    4 and name  HD*) (segid "   B" and resid    4 and name   HN)  2.5 2.5 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    4 and name   HA)  3.0 3.0 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    4 and name  HB*)  3.0 3.0 0.0 
assign (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    4 and name  HB*)  3.0 3.0 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    4 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    4 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    4 and name  HD*) (segid "   B" and resid    4 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    4 and name  HD*) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    4 and name  HE*) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    4 and name  HD*) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    4 and name  HE*) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    6 and name   HN)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name  HG2) (segid "   B" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    5 and name  HG1) (segid "   B" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    2 and name  HB*)  3.0 3.0 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    4 and name   HN)  2.5 2.5 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    4 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name   HA)  3.0 3.0 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name  HD*) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name  HD*) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    6 and name  HB*)  4.5 4.5 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    3 and name   HA)  4.0 4.0 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    1 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    5 and name   HN)  2.5 2.5 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    6 and name   HA)  3.0 3.0 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    7 and name  HD2) (segid "   B" and resid    3 and name  HG*)  4.0 3.5 0.0 
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name   HN)  2.5 2.5 0.0 
assign (segid "   B" and resid    7 and name  HD2) (segid "   B" and resid    7 and name   HN)  2.5 2.5 0.0 
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    7 and name   HA)  3.0 3.0 0.0 
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    7 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    7 and name  HD2) (segid "   B" and resid    7 and name  HB*)  5.5 5.5 0.0 
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    7 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    7 and name   HN)  4.5 4.5 0.0 
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name  HB*)  3.0 3.0 0.0 
assign (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    8 and name  HB*)  3.0 3.0 0.0 
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    8 and name   HA)  3.0 3.0 0.0 
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    9 and name  HA*)  3.0 3.0 0.0 
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    9 and name  HA*)  3.0 3.0 0.0 
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid    9 and name  HA*)  3.0 3.0 0.0 
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid    9 and name  HA*)  3.0 3.0 0.0 
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name   HA)  3.0 3.0 0.0 
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid   10 and name   HA) (segid "   B" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid   10 and name  HD1) (segid "   B" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name  HD1)  2.5 2.5 0.0 
assign (segid "   B" and resid   10 and name  HE1) (segid "   B" and resid   10 and name  HD1)  2.5 2.5 0.0 
assign (segid "   B" and resid    2 and name  HB*) (segid "   B" and resid    1 and name  HB*)  4.5 4.5 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    4 and name  HD*)  4.5 4.5 0.0 
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    5 and name  HD*)  5.0 5.0 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name   HA)  2.5 2.5 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    3 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    3 and name  HG*)  4.5 4.5 0.0 
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    4 and name  HD*)  4.5 4.5 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    2 and name   HA)  4.5 4.5 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    3 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    3 and name  HG*)  4.5 4.5 0.0 
assign (segid "   B" and resid    4 and name  HD*) (segid "   B" and resid    4 and name  HB*)  3.0 3.0 0.0 
assign (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    7 and name  HB*)  4.5 4.5 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    1 and name  HB*)  4.5 4.5 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    4 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    4 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    5 and name  HD*)  4.5 4.5 0.0 
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name  HG*)  4.0 4.0 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    6 and name  HE1) (segid "   B" and resid    1 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    4 and name   HA)  4.5 4.5 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    5 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    5 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    5 and name   HN)  4.0 4.0 0.0 
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    7 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid   10 and name  HD1) (segid "   B" and resid   10 and name  HB*)  3.5 3.5 0.0 
assign (segid "   B" and resid    6 and name  HD2) (segid "   B" and resid    2 and name   HA)  4.5 4.5 0.0 
assign (segid "   B" and resid    6 and name  HD2) (segid "   B" and resid    2 and name  HB*)  5.5 5.5 0.0 
assign (segid "   B" and resid    6 and name  HD2) (segid "   B" and resid    3 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid    6 and name  HE1) (segid "   B" and resid    1 and name  HB*)  4.5 4.5 0.0 
assign (segid "   B" and resid    6 and name  HD2) (segid "   B" and resid    6 and name   HN)  4.0 4.0 0.0 
assign (segid "   B" and resid    7 and name  HD2) (segid "   B" and resid    3 and name   HA)  3.5 3.5 0.0 
assign (segid "   B" and resid    7 and name  HD2) (segid "   B" and resid    3 and name  HB*)  4.0 4.0 0.0 
assign (segid "   B" and resid    7 and name  HD2) (segid "   B" and resid    6 and name   HN)  4.5 4.0 0.0 
assign (segid "   B" and resid    7 and name  HE1) (segid "   B" and resid    6 and name  HB*)  5.5 5.5 0.0 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           H1       ASP   1  -1.075   7.240  -1.960
    2    H2   ASP   1           H2       ASP   1  -0.703   8.011  -0.472
    3    H3   ASP   1           H3       ASP   1  -1.526   6.505  -0.479
    4    HA   ASP   1           HA       ASP   1   1.266   7.091  -1.149
    5    HB2  ASP   1           HB3      ASP   1  -0.103   5.150   0.731
    6    HB3  ASP   1           HB2      ASP   1   1.639   5.327   0.544
    7    H    ALA   2           H        ALA   2   2.515   5.197  -1.846
    8    HA   ALA   2           HA       ALA   2   0.918   3.391  -3.547
    9    HB1  ALA   2           HB1      ALA   2   3.631   3.681  -4.466
   10    HB2  ALA   2           HB2      ALA   2   2.844   5.254  -4.345
   11    HB3  ALA   2           HB3      ALA   2   2.120   3.977  -5.323
   12    H    GLU   3           H        GLU   3   2.438   1.470  -4.258
   13    HA   GLU   3           HA       GLU   3   2.779  -0.204  -2.095
   14    HB2  GLU   3           HB3      GLU   3   2.717  -0.761  -4.599
   15    HB3  GLU   3           HB2      GLU   3   4.447  -0.449  -4.590
   16    HG2  GLU   3           HG3      GLU   3   4.260  -2.757  -4.343
   17    HG3  GLU   3           HG2      GLU   3   4.582  -2.164  -2.715
   18    H    PHE   4           H        PHE   4   5.124   1.965  -3.579
   19    HA   PHE   4           HA       PHE   4   7.366   1.010  -2.113
   20    HB2  PHE   4           HB3      PHE   4   8.515   2.994  -2.919
   21    HB3  PHE   4           HB2      PHE   4   7.573   2.287  -4.226
   22    HD1  PHE   4           HD1      PHE   4   7.706   5.047  -1.786
   23    HD2  PHE   4           HD2      PHE   4   5.832   3.495  -5.276
   24    HE1  PHE   4           HE1      PHE   4   6.610   7.218  -2.158
   25    HE2  PHE   4           HE2      PHE   4   4.733   5.664  -5.656
   26    HZ   PHE   4           HZ       PHE   4   5.121   7.529  -4.095
   27    H    ARG   5           H        ARG   5   4.875   3.376  -1.507
   28    HA   ARG   5           HA       ARG   5   6.208   4.532   0.767
   29    HB2  ARG   5           HB3      ARG   5   4.655   5.837  -0.640
   30    HB3  ARG   5           HB2      ARG   5   3.338   4.788  -0.137
   31    HG2  ARG   5           HG3      ARG   5   3.135   5.777   1.877
   32    HG3  ARG   5           HG2      ARG   5   4.868   6.063   2.032
   33    HD2  ARG   5           HD3      ARG   5   4.542   7.814   0.184
   34    HD3  ARG   5           HD2      ARG   5   2.824   7.676   0.543
   35    HE   ARG   5           HE       ARG   5   3.176   8.713   2.588
   36   HH11  ARG   5          HH11      ARG   5   6.222   8.140   0.972
   37   HH12  ARG   5          HH12      ARG   5   7.114   9.187   2.022
   38   HH21  ARG   5          HH21      ARG   5   4.355  10.086   3.967
   39   HH22  ARG   5          HH22      ARG   5   6.057  10.289   3.722
   40    H    HIS   6           H        HIS   6   3.635   2.180   0.220
   41    HA   HIS   6           HA       HIS   6   2.885   1.880   2.937
   42    HB2  HIS   6           HB3      HIS   6   2.662  -0.161   0.717
   43    HB3  HIS   6           HB2      HIS   6   1.747  -0.147   2.220
   44    HD1  HIS   6           HD1      HIS   6   0.357   2.370   2.430
   45    HD2  HIS   6           HD2      HIS   6   1.208   0.745  -1.295
   46    HE1  HIS   6           HE1      HIS   6  -1.243   3.457   0.800
   47    H    HIS   7           H        HIS   7   5.131   0.146   0.846
   48    HA   HIS   7           HA       HIS   7   6.015  -1.503   3.083
   49    HB2  HIS   7           HB3      HIS   7   6.781  -1.574   0.158
   50    HB3  HIS   7           HB2      HIS   7   7.302  -2.733   1.377
   51    HD1  HIS   7           HD1      HIS   7   5.712  -4.651   1.895
   52    HD2  HIS   7           HD2      HIS   7   3.978  -1.689  -0.452
   53    HE1  HIS   7           HE1      HIS   7   3.489  -5.569   1.111
   54    H    SER   8           H        SER   8   8.418  -1.851   3.277
   55    HA   SER   8           HA       SER   8   9.985   0.542   2.649
   56    HB2  SER   8           HB3      SER   8   9.041   0.802   4.949
   57    HB3  SER   8           HB2      SER   8   9.891  -0.669   5.421
   58    HG   SER   8           HG       SER   8  11.384   0.766   5.900
   59    H    GLY   9           H        GLY   9  12.315   0.222   2.924
   60    HA2  GLY   9           HA3      GLY   9  14.209  -1.196   3.191
   61    HA3  GLY   9           HA2      GLY   9  13.157  -2.589   3.000
   62    H    TYR  10           H        TYR  10  15.347  -2.770   1.592
   63    HA   TYR  10           HA       TYR  10  15.490  -1.511  -0.895
   64    HB2  TYR  10           HB3      TYR  10  16.436  -4.226   0.021
   65    HB3  TYR  10           HB2      TYR  10  16.782  -3.590  -1.583
   66    HD1  TYR  10           HD1      TYR  10  17.502  -3.286   1.994
   67    HD2  TYR  10           HD2      TYR  10  18.341  -1.750  -1.884
   68    HE1  TYR  10           HE1      TYR  10  19.468  -2.113   2.891
   69    HE2  TYR  10           HE2      TYR  10  20.311  -0.573  -0.998
   70    HH   TYR  10           HH       TYR  10  21.762  -1.256   1.790
   71    HN1  NH2  11           HN1      NH2  11  14.767  -5.029  -0.807
   72    HN2  NH2  11           HN2      NH2  11  13.431  -4.945  -1.933
   73    H1   ASP   1           H1       ASP   1   1.243  -5.965   1.605
   74    H2   ASP   1           H2       ASP   1   1.523  -7.030   0.288
   75    H3   ASP   1           H3       ASP   1   0.805  -7.618   1.733
   76    HA   ASP   1           HA       ASP   1  -0.937  -7.414   0.289
   77    HB2  ASP   1           HB3      ASP   1  -1.008  -4.722   1.631
   78    HB3  ASP   1           HB2      ASP   1  -2.312  -5.882   1.412
   79    H    ALA   2           H        ALA   2  -2.329  -5.619  -0.904
   80    HA   ALA   2           HA       ALA   2  -0.509  -4.222  -2.756
   81    HB1  ALA   2           HB1      ALA   2  -3.194  -5.424  -3.413
   82    HB2  ALA   2           HB2      ALA   2  -1.636  -6.166  -3.772
   83    HB3  ALA   2           HB3      ALA   2  -2.086  -4.643  -4.540
   84    H    GLU   3           H        GLU   3  -1.839  -2.519  -4.063
   85    HA   GLU   3           HA       GLU   3  -2.447  -0.414  -2.398
   86    HB2  GLU   3           HB3      GLU   3  -1.968  -0.371  -4.892
   87    HB3  GLU   3           HB2      GLU   3  -3.668  -0.750  -5.130
   88    HG2  GLU   3           HG3      GLU   3  -3.688   1.528  -5.319
   89    HG3  GLU   3           HG2      GLU   3  -4.052   1.328  -3.606
   90    H    PHE   4           H        PHE   4  -4.652  -2.845  -3.706
   91    HA   PHE   4           HA       PHE   4  -7.014  -1.521  -2.839
   92    HB2  PHE   4           HB3      PHE   4  -8.201  -3.471  -3.476
   93    HB3  PHE   4           HB2      PHE   4  -6.881  -3.316  -4.627
   94    HD1  PHE   4           HD1      PHE   4  -8.243  -5.258  -1.852
   95    HD2  PHE   4           HD2      PHE   4  -5.063  -4.913  -4.656
   96    HE1  PHE   4           HE1      PHE   4  -7.562  -7.569  -1.356
   97    HE2  PHE   4           HE2      PHE   4  -4.374  -7.224  -4.166
   98    HZ   PHE   4           HZ       PHE   4  -5.625  -8.555  -2.514
   99    H    ARG   5           H        ARG   5  -4.773  -3.733  -1.349
  100    HA   ARG   5           HA       ARG   5  -6.459  -4.324   0.901
  101    HB2  ARG   5           HB3      ARG   5  -3.508  -4.755   0.432
  102    HB3  ARG   5           HB2      ARG   5  -4.377  -5.327   1.850
  103    HG2  ARG   5           HG3      ARG   5  -5.823  -6.669   0.384
  104    HG3  ARG   5           HG2      ARG   5  -4.871  -6.141  -1.001
  105    HD2  ARG   5           HD3      ARG   5  -2.865  -7.134   0.087
  106    HD3  ARG   5           HD2      ARG   5  -3.917  -7.769   1.350
  107    HE   ARG   5           HE       ARG   5  -3.601  -8.780  -1.326
  108   HH11  ARG   5          HH11      ARG   5  -5.705  -8.638   1.454
  109   HH12  ARG   5          HH12      ARG   5  -6.546 -10.097   1.048
  110   HH21  ARG   5          HH21      ARG   5  -4.705 -10.696  -1.862
  111   HH22  ARG   5          HH22      ARG   5  -5.978 -11.265  -0.834
  112    H    HIS   6           H        HIS   6  -3.739  -2.175   0.240
  113    HA   HIS   6           HA       HIS   6  -3.497  -1.160   2.884
  114    HB2  HIS   6           HB3      HIS   6  -2.748   0.229   0.306
  115    HB3  HIS   6           HB2      HIS   6  -2.130   0.594   1.912
  116    HD1  HIS   6           HD1      HIS   6  -0.807  -1.668   3.008
  117    HD2  HIS   6           HD2      HIS   6  -1.108  -1.278  -1.115
  118    HE1  HIS   6           HE1      HIS   6   1.009  -3.134   2.018
  119    H    HIS   7           H        HIS   7  -5.261  -0.130   0.022
  120    HA   HIS   7           HA       HIS   7  -6.414   2.141   1.435
  121    HB2  HIS   7           HB3      HIS   7  -6.769   1.180  -1.414
  122    HB3  HIS   7           HB2      HIS   7  -7.455   2.660  -0.754
  123    HD1  HIS   7           HD1      HIS   7  -6.101   4.672  -1.311
  124    HD2  HIS   7           HD2      HIS   7  -3.759   1.247  -1.052
  125    HE1  HIS   7           HE1      HIS   7  -3.739   5.380  -1.872
  126    H    SER   8           H        SER   8  -8.335   2.084   2.408
  127    HA   SER   8           HA       SER   8 -10.195  -0.089   1.706
  128    HB2  SER   8           HB3      SER   8  -9.634   1.037   4.460
  129    HB3  SER   8           HB2      SER   8 -10.886  -0.148   4.088
  130    HG   SER   8           HG       SER   8  -8.519  -0.736   4.787
  131    H    GLY   9           H        GLY   9 -12.374   0.392   1.651
  132    HA2  GLY   9           HA3      GLY   9 -13.488   2.830   2.579
  133    HA3  GLY   9           HA2      GLY   9 -13.147   2.940   0.859
  134    H    TYR  10           H        TYR  10 -15.587   2.494   2.863
  135    HA   TYR  10           HA       TYR  10 -16.895   0.436   1.212
  136    HB2  TYR  10           HB3      TYR  10 -18.447   0.118   3.098
  137    HB3  TYR  10           HB2      TYR  10 -16.777  -0.166   3.577
  138    HD1  TYR  10           HD1      TYR  10 -15.643   1.354   5.098
  139    HD2  TYR  10           HD2      TYR  10 -19.680   2.034   3.941
  140    HE1  TYR  10           HE1      TYR  10 -15.892   2.971   6.935
  141    HE2  TYR  10           HE2      TYR  10 -19.939   3.654   5.772
  142    HH   TYR  10           HH       TYR  10 -18.944   4.221   7.884
  143    HN1  NH2  11           HN1      NH2  11 -16.716   3.774   1.611
  144    HN2  NH2  11           HN2      NH2  11 -18.312   4.197   1.031
  Start of MODEL    2
    1    H1   ASP   1           H1       ASP   1  -0.660   8.017  -0.560
    2    H2   ASP   1           H2       ASP   1  -1.457   6.502  -0.458
    3    H3   ASP   1           H3       ASP   1  -1.096   7.181  -1.993
    4    HA   ASP   1           HA       ASP   1   1.288   7.103  -1.275
    5    HB2  ASP   1           HB3      ASP   1  -0.022   5.256   0.734
    6    HB3  ASP   1           HB2      ASP   1   1.710   5.295   0.413
    7    H    ALA   2           H        ALA   2   2.535   5.169  -1.928
    8    HA   ALA   2           HA       ALA   2   0.909   3.343  -3.575
    9    HB1  ALA   2           HB1      ALA   2   3.656   3.687  -4.469
   10    HB2  ALA   2           HB2      ALA   2   2.734   5.191  -4.490
   11    HB3  ALA   2           HB3      ALA   2   2.148   3.785  -5.378
   12    H    GLU   3           H        GLU   3   2.478   1.436  -4.298
   13    HA   GLU   3           HA       GLU   3   2.801  -0.234  -2.125
   14    HB2  GLU   3           HB3      GLU   3   2.749  -0.778  -4.641
   15    HB3  GLU   3           HB2      GLU   3   4.484  -0.499  -4.603
   16    HG2  GLU   3           HG3      GLU   3   4.216  -2.812  -4.376
   17    HG3  GLU   3           HG2      GLU   3   4.578  -2.226  -2.753
   18    H    PHE   4           H        PHE   4   5.179   1.893  -3.634
   19    HA   PHE   4           HA       PHE   4   7.392   0.928  -2.136
   20    HB2  PHE   4           HB3      PHE   4   8.613   2.802  -3.019
   21    HB3  PHE   4           HB2      PHE   4   7.573   2.183  -4.297
   22    HD1  PHE   4           HD1      PHE   4   8.204   4.959  -2.010
   23    HD2  PHE   4           HD2      PHE   4   5.687   3.469  -5.100
   24    HE1  PHE   4           HE1      PHE   4   7.262   7.211  -2.324
   25    HE2  PHE   4           HE2      PHE   4   4.743   5.717  -5.421
   26    HZ   PHE   4           HZ       PHE   4   5.529   7.591  -4.032
   27    H    ARG   5           H        ARG   5   4.922   3.310  -1.562
   28    HA   ARG   5           HA       ARG   5   6.282   4.505   0.680
   29    HB2  ARG   5           HB3      ARG   5   4.767   5.829  -0.719
   30    HB3  ARG   5           HB2      ARG   5   3.429   4.783  -0.265
   31    HG2  ARG   5           HG3      ARG   5   3.189   5.737   1.769
   32    HG3  ARG   5           HG2      ARG   5   4.915   6.056   1.944
   33    HD2  ARG   5           HD3      ARG   5   3.098   7.565   0.074
   34    HD3  ARG   5           HD2      ARG   5   3.500   8.102   1.704
   35    HE   ARG   5           HE       ARG   5   5.905   7.651   0.428
   36   HH11  ARG   5          HH11      ARG   5   3.132   9.722  -0.030
   37   HH12  ARG   5          HH12      ARG   5   4.045  10.986  -0.783
   38   HH21  ARG   5          HH21      ARG   5   7.106   9.313  -0.561
   39   HH22  ARG   5          HH22      ARG   5   6.300  10.753  -1.086
   40    H    HIS   6           H        HIS   6   3.688   2.162   0.190
   41    HA   HIS   6           HA       HIS   6   2.945   1.949   2.924
   42    HB2  HIS   6           HB3      HIS   6   2.656  -0.132   0.749
   43    HB3  HIS   6           HB2      HIS   6   1.765  -0.077   2.265
   44    HD1  HIS   6           HD1      HIS   6   0.468   2.515   2.441
   45    HD2  HIS   6           HD2      HIS   6   1.141   0.718  -1.242
   46    HE1  HIS   6           HE1      HIS   6  -1.151   3.588   0.822
   47    H    HIS   7           H        HIS   7   5.167   0.154   0.864
   48    HA   HIS   7           HA       HIS   7   6.001  -1.503   3.114
   49    HB2  HIS   7           HB3      HIS   7   6.811  -1.577   0.200
   50    HB3  HIS   7           HB2      HIS   7   7.297  -2.746   1.423
   51    HD1  HIS   7           HD1      HIS   7   5.683  -4.652   1.893
   52    HD2  HIS   7           HD2      HIS   7   4.001  -1.645  -0.433
   53    HE1  HIS   7           HE1      HIS   7   3.458  -5.536   1.075
   54    H    SER   8           H        SER   8   8.416  -1.905   3.287
   55    HA   SER   8           HA       SER   8   9.747   0.696   3.408
   56    HB2  SER   8           HB3      SER   8  10.345  -1.950   4.743
   57    HB3  SER   8           HB2      SER   8  11.390  -0.535   4.877
   58    HG   SER   8           HG       SER   8   9.486  -1.042   6.461
   59    H    GLY   9           H        GLY   9  11.753   1.092   2.498
   60    HA2  GLY   9           HA3      GLY   9  13.652  -0.463   1.450
   61    HA3  GLY   9           HA2      GLY   9  12.404  -0.600   0.221
   62    H    TYR  10           H        TYR  10  15.190   0.824   0.673
   63    HA   TYR  10           HA       TYR  10  14.600   3.568   0.089
   64    HB2  TYR  10           HB3      TYR  10  17.090   1.914   0.255
   65    HB3  TYR  10           HB2      TYR  10  17.156   3.494  -0.518
   66    HD1  TYR  10           HD1      TYR  10  16.024   1.860   2.639
   67    HD2  TYR  10           HD2      TYR  10  17.532   5.377   0.783
   68    HE1  TYR  10           HE1      TYR  10  16.246   2.920   4.846
   69    HE2  TYR  10           HE2      TYR  10  17.760   6.448   2.985
   70    HH   TYR  10           HH       TYR  10  16.899   6.272   5.217
   71    HN1  NH2  11           HN1      NH2  11  13.690   1.231  -1.785
   72    HN2  NH2  11           HN2      NH2  11  14.207   1.779  -3.363
   73    H1   ASP   1           H1       ASP   1   1.641  -6.711   0.532
   74    H2   ASP   1           H2       ASP   1   0.894  -7.257   1.978
   75    H3   ASP   1           H3       ASP   1   1.149  -5.580   1.721
   76    HA   ASP   1           HA       ASP   1  -0.735  -7.383   0.382
   77    HB2  ASP   1           HB3      ASP   1  -1.340  -4.667   1.475
   78    HB3  ASP   1           HB2      ASP   1  -2.373  -6.087   1.376
   79    H    ALA   2           H        ALA   2  -2.299  -5.588  -0.813
   80    HA   ALA   2           HA       ALA   2  -0.538  -4.271  -2.774
   81    HB1  ALA   2           HB1      ALA   2  -2.593  -6.235  -3.144
   82    HB2  ALA   2           HB2      ALA   2  -1.489  -5.538  -4.329
   83    HB3  ALA   2           HB3      ALA   2  -3.027  -4.749  -3.986
   84    H    GLU   3           H        GLU   3  -1.837  -2.577  -4.075
   85    HA   GLU   3           HA       GLU   3  -2.451  -0.442  -2.446
   86    HB2  GLU   3           HB3      GLU   3  -1.953  -0.437  -4.935
   87    HB3  GLU   3           HB2      GLU   3  -3.646  -0.835  -5.185
   88    HG2  GLU   3           HG3      GLU   3  -3.629   1.451  -5.438
   89    HG3  GLU   3           HG2      GLU   3  -4.104   1.264  -3.751
   90    H    PHE   4           H        PHE   4  -4.635  -2.887  -3.758
   91    HA   PHE   4           HA       PHE   4  -7.019  -1.582  -2.922
   92    HB2  PHE   4           HB3      PHE   4  -8.165  -3.595  -3.520
   93    HB3  PHE   4           HB2      PHE   4  -6.891  -3.344  -4.707
   94    HD1  PHE   4           HD1      PHE   4  -8.185  -5.495  -2.098
   95    HD2  PHE   4           HD2      PHE   4  -4.873  -4.764  -4.670
   96    HE1  PHE   4           HE1      PHE   4  -7.361  -7.775  -1.679
   97    HE2  PHE   4           HE2      PHE   4  -4.044  -7.043  -4.256
   98    HZ   PHE   4           HZ       PHE   4  -5.289  -8.552  -2.760
   99    H    ARG   5           H        ARG   5  -4.768  -3.760  -1.393
  100    HA   ARG   5           HA       ARG   5  -6.496  -4.344   0.833
  101    HB2  ARG   5           HB3      ARG   5  -3.537  -4.824   0.448
  102    HB3  ARG   5           HB2      ARG   5  -4.492  -5.440   1.791
  103    HG2  ARG   5           HG3      ARG   5  -5.879  -6.697   0.215
  104    HG3  ARG   5           HG2      ARG   5  -4.894  -6.100  -1.117
  105    HD2  ARG   5           HD3      ARG   5  -2.954  -7.243  -0.235
  106    HD3  ARG   5           HD2      ARG   5  -3.864  -7.752   1.187
  107    HE   ARG   5           HE       ARG   5  -5.322  -8.822  -0.764
  108   HH11  ARG   5          HH11      ARG   5  -1.866  -8.835  -0.271
  109   HH12  ARG   5          HH12      ARG   5  -1.636 -10.358  -1.064
  110   HH21  ARG   5          HH21      ARG   5  -5.017 -10.823  -1.802
  111   HH22  ARG   5          HH22      ARG   5  -3.423 -11.485  -1.931
  112    H    HIS   6           H        HIS   6  -3.792  -2.177   0.177
  113    HA   HIS   6           HA       HIS   6  -3.547  -1.192   2.839
  114    HB2  HIS   6           HB3      HIS   6  -2.799   0.213   0.266
  115    HB3  HIS   6           HB2      HIS   6  -2.193   0.584   1.876
  116    HD1  HIS   6           HD1      HIS   6  -0.846  -1.659   2.979
  117    HD2  HIS   6           HD2      HIS   6  -1.134  -1.276  -1.147
  118    HE1  HIS   6           HE1      HIS   6   0.995  -3.100   2.000
  119    H    HIS   7           H        HIS   7  -5.282  -0.127  -0.032
  120    HA   HIS   7           HA       HIS   7  -6.487   2.098   1.412
  121    HB2  HIS   7           HB3      HIS   7  -6.734   1.230  -1.476
  122    HB3  HIS   7           HB2      HIS   7  -7.458   2.682  -0.791
  123    HD1  HIS   7           HD1      HIS   7  -6.076   4.745  -1.047
  124    HD2  HIS   7           HD2      HIS   7  -3.771   1.288  -1.188
  125    HE1  HIS   7           HE1      HIS   7  -3.712   5.486  -1.552
  126    H    SER   8           H        SER   8  -8.901   2.434   0.950
  127    HA   SER   8           HA       SER   8 -10.277  -0.066   1.628
  128    HB2  SER   8           HB3      SER   8 -11.021   2.833   2.042
  129    HB3  SER   8           HB2      SER   8 -12.137   1.503   2.345
  130    HG   SER   8           HG       SER   8 -10.343   2.460   3.987
  131    H    GLY   9           H        GLY   9 -11.844  -0.925   0.378
  132    HA2  GLY   9           HA3      GLY   9 -13.511   0.371  -1.413
  133    HA3  GLY   9           HA2      GLY   9 -12.076  -0.069  -2.326
  134    H    TYR  10           H        TYR  10 -14.325  -1.134  -3.217
  135    HA   TYR  10           HA       TYR  10 -14.098  -3.949  -2.419
  136    HB2  TYR  10           HB3      TYR  10 -16.537  -4.224  -2.608
  137    HB3  TYR  10           HB2      TYR  10 -16.112  -3.080  -1.340
  138    HD1  TYR  10           HD1      TYR  10 -16.343  -0.614  -1.802
  139    HD2  TYR  10           HD2      TYR  10 -17.922  -3.581  -4.409
  140    HE1  TYR  10           HE1      TYR  10 -17.819   1.071  -2.816
  141    HE2  TYR  10           HE2      TYR  10 -19.400  -1.905  -5.432
  142    HH   TYR  10           HH       TYR  10 -19.056   1.460  -4.837
  143    HN1  NH2  11           HN1      NH2  11 -15.445  -1.679  -4.899
  144    HN2  NH2  11           HN2      NH2  11 -15.111  -2.731  -6.256
  Start of MODEL    3
    1    H1   ASP   1           H1       ASP   1  -1.091   7.352  -1.952
    2    H2   ASP   1           H2       ASP   1  -0.806   7.910  -0.354
    3    H3   ASP   1           H3       ASP   1  -1.573   6.397  -0.614
    4    HA   ASP   1           HA       ASP   1   1.206   7.137  -1.229
    5    HB2  ASP   1           HB3      ASP   1  -0.140   5.328   0.778
    6    HB3  ASP   1           HB2      ASP   1   1.574   5.195   0.393
    7    H    ALA   2           H        ALA   2   2.494   5.262  -1.935
    8    HA   ALA   2           HA       ALA   2   0.915   3.475  -3.671
    9    HB1  ALA   2           HB1      ALA   2   3.699   3.748  -4.430
   10    HB2  ALA   2           HB2      ALA   2   2.861   5.300  -4.415
   11    HB3  ALA   2           HB3      ALA   2   2.239   3.972  -5.393
   12    H    GLU   3           H        GLU   3   2.400   1.525  -4.342
   13    HA   GLU   3           HA       GLU   3   2.665  -0.126  -2.124
   14    HB2  GLU   3           HB3      GLU   3   2.449  -0.813  -4.550
   15    HB3  GLU   3           HB2      GLU   3   4.169  -0.488  -4.714
   16    HG2  GLU   3           HG3      GLU   3   4.529  -2.581  -4.093
   17    HG3  GLU   3           HG2      GLU   3   3.982  -2.124  -2.481
   18    H    PHE   4           H        PHE   4   5.018   1.989  -3.651
   19    HA   PHE   4           HA       PHE   4   7.197   0.887  -2.126
   20    HB2  PHE   4           HB3      PHE   4   8.546   2.732  -3.104
   21    HB3  PHE   4           HB2      PHE   4   7.761   1.715  -4.295
   22    HD1  PHE   4           HD1      PHE   4   8.442   3.644  -5.783
   23    HD2  PHE   4           HD2      PHE   4   5.473   4.012  -2.762
   24    HE1  PHE   4           HE1      PHE   4   7.562   5.652  -6.892
   25    HE2  PHE   4           HE2      PHE   4   4.592   6.018  -3.862
   26    HZ   PHE   4           HZ       PHE   4   5.634   6.842  -5.932
   27    H    ARG   5           H        ARG   5   4.692   2.945  -1.384
   28    HA   ARG   5           HA       ARG   5   6.262   4.444   0.584
   29    HB2  ARG   5           HB3      ARG   5   4.740   5.731  -0.873
   30    HB3  ARG   5           HB2      ARG   5   3.382   4.793  -0.266
   31    HG2  ARG   5           HG3      ARG   5   3.500   6.963   0.811
   32    HG3  ARG   5           HG2      ARG   5   3.771   5.664   1.975
   33    HD2  ARG   5           HD3      ARG   5   6.167   6.033   1.865
   34    HD3  ARG   5           HD2      ARG   5   5.940   7.280   0.642
   35    HE   ARG   5           HE       ARG   5   5.235   7.487   3.484
   36   HH11  ARG   5          HH11      ARG   5   5.624   9.002   0.355
   37   HH12  ARG   5          HH12      ARG   5   5.551  10.610   0.993
   38   HH21  ARG   5          HH21      ARG   5   5.137   9.601   4.310
   39   HH22  ARG   5          HH22      ARG   5   5.275  10.949   3.233
   40    H    HIS   6           H        HIS   6   3.626   2.138   0.252
   41    HA   HIS   6           HA       HIS   6   2.931   2.067   3.018
   42    HB2  HIS   6           HB3      HIS   6   2.525  -0.118   0.966
   43    HB3  HIS   6           HB2      HIS   6   1.649   0.086   2.479
   44    HD1  HIS   6           HD1      HIS   6   0.331   2.609   2.511
   45    HD2  HIS   6           HD2      HIS   6   1.155   0.771  -1.122
   46    HE1  HIS   6           HE1      HIS   6  -1.240   3.648   0.821
   47    H    HIS   7           H        HIS   7   5.013   0.127   0.939
   48    HA   HIS   7           HA       HIS   7   5.885  -1.523   3.161
   49    HB2  HIS   7           HB3      HIS   7   6.694  -1.495   0.245
   50    HB3  HIS   7           HB2      HIS   7   7.257  -2.667   1.432
   51    HD1  HIS   7           HD1      HIS   7   5.733  -4.650   1.907
   52    HD2  HIS   7           HD2      HIS   7   3.910  -1.703  -0.391
   53    HE1  HIS   7           HE1      HIS   7   3.554  -5.635   1.081
   54    H    SER   8           H        SER   8   8.343  -1.921   3.260
   55    HA   SER   8           HA       SER   8   9.729   0.679   3.154
   56    HB2  SER   8           HB3      SER   8   9.218  -0.042   5.470
   57    HB3  SER   8           HB2      SER   8  10.134  -1.523   5.192
   58    HG   SER   8           HG       SER   8  11.062   1.133   5.358
   59    H    GLY   9           H        GLY   9  11.651   0.757   2.144
   60    HA2  GLY   9           HA3      GLY   9  12.779  -1.813   1.219
   61    HA3  GLY   9           HA2      GLY   9  12.831  -0.327   0.282
   62    H    TYR  10           H        TYR  10  14.779   0.544   0.217
   63    HA   TYR  10           HA       TYR  10  16.766  -0.130   2.202
   64    HB2  TYR  10           HB3      TYR  10  16.988   1.731  -0.171
   65    HB3  TYR  10           HB2      TYR  10  18.323   1.070   0.768
   66    HD1  TYR  10           HD1      TYR  10  15.938   0.462  -1.894
   67    HD2  TYR  10           HD2      TYR  10  18.856  -1.351   0.616
   68    HE1  TYR  10           HE1      TYR  10  16.037  -1.468  -3.414
   69    HE2  TYR  10           HE2      TYR  10  18.964  -3.286  -0.897
   70    HH   TYR  10           HH       TYR  10  17.368  -4.378  -2.606
   71    HN1  NH2  11           HN1      NH2  11  16.066   3.128   0.793
   72    HN2  NH2  11           HN2      NH2  11  16.102   3.965   2.329
   73    H1   ASP   1           H1       ASP   1   0.258  -8.172   1.034
   74    H2   ASP   1           H2       ASP   1   0.182  -7.525   2.622
   75    H3   ASP   1           H3       ASP   1   1.144  -6.757   1.425
   76    HA   ASP   1           HA       ASP   1  -1.728  -7.115   1.032
   77    HB2  ASP   1           HB3      ASP   1  -0.312  -5.000   2.664
   78    HB3  ASP   1           HB2      ASP   1  -1.937  -4.785   2.017
   79    H    ALA   2           H        ALA   2  -2.530  -5.581  -0.495
   80    HA   ALA   2           HA       ALA   2  -0.432  -4.380  -2.186
   81    HB1  ALA   2           HB1      ALA   2  -3.049  -5.116  -3.374
   82    HB2  ALA   2           HB2      ALA   2  -1.922  -6.418  -2.996
   83    HB3  ALA   2           HB3      ALA   2  -1.438  -5.121  -4.090
   84    H    GLU   3           H        GLU   3  -1.707  -2.780  -3.808
   85    HA   GLU   3           HA       GLU   3  -2.333  -0.517  -2.327
   86    HB2  GLU   3           HB3      GLU   3  -1.672  -0.582  -4.747
   87    HB3  GLU   3           HB2      GLU   3  -3.312  -1.089  -5.126
   88    HG2  GLU   3           HG3      GLU   3  -3.428   1.167  -5.503
   89    HG3  GLU   3           HG2      GLU   3  -3.989   1.064  -3.836
   90    H    PHE   4           H        PHE   4  -4.449  -3.023  -3.604
   91    HA   PHE   4           HA       PHE   4  -6.876  -1.672  -2.999
   92    HB2  PHE   4           HB3      PHE   4  -7.974  -3.762  -3.479
   93    HB3  PHE   4           HB2      PHE   4  -6.670  -3.551  -4.642
   94    HD1  PHE   4           HD1      PHE   4  -7.588  -5.281  -1.498
   95    HD2  PHE   4           HD2      PHE   4  -5.000  -5.171  -4.874
   96    HE1  PHE   4           HE1      PHE   4  -6.698  -7.490  -0.882
   97    HE2  PHE   4           HE2      PHE   4  -4.104  -7.379  -4.263
   98    HZ   PHE   4           HZ       PHE   4  -4.954  -8.542  -2.266
   99    H    ARG   5           H        ARG   5  -4.714  -3.746  -1.214
  100    HA   ARG   5           HA       ARG   5  -6.555  -4.114   0.980
  101    HB2  ARG   5           HB3      ARG   5  -4.825  -5.808   0.257
  102    HB3  ARG   5           HB2      ARG   5  -3.604  -4.733   0.924
  103    HG2  ARG   5           HG3      ARG   5  -4.052  -6.378   2.558
  104    HG3  ARG   5           HG2      ARG   5  -4.802  -4.881   3.115
  105    HD2  ARG   5           HD3      ARG   5  -6.965  -5.656   2.278
  106    HD3  ARG   5           HD2      ARG   5  -6.216  -7.150   1.718
  107    HE   ARG   5           HE       ARG   5  -6.926  -6.462   4.430
  108   HH11  ARG   5          HH11      ARG   5  -4.992  -8.526   2.383
  109   HH12  ARG   5          HH12      ARG   5  -4.830  -9.767   3.579
  110   HH21  ARG   5          HH21      ARG   5  -6.711  -8.095   6.003
  111   HH22  ARG   5          HH22      ARG   5  -5.805  -9.524   5.632
  112    H    HIS   6           H        HIS   6  -3.712  -2.156   0.249
  113    HA   HIS   6           HA       HIS   6  -3.325  -1.073   2.824
  114    HB2  HIS   6           HB3      HIS   6  -2.742   0.276   0.180
  115    HB3  HIS   6           HB2      HIS   6  -2.013   0.654   1.734
  116    HD1  HIS   6           HD1      HIS   6  -1.071  -2.083   2.683
  117    HD2  HIS   6           HD2      HIS   6  -0.761  -0.772  -1.246
  118    HE1  HIS   6           HE1      HIS   6   0.801  -3.427   1.626
  119    H    HIS   7           H        HIS   7  -5.288  -0.097   0.082
  120    HA   HIS   7           HA       HIS   7  -6.342   2.192   1.556
  121    HB2  HIS   7           HB3      HIS   7  -6.810   1.286  -1.293
  122    HB3  HIS   7           HB2      HIS   7  -7.443   2.765  -0.582
  123    HD1  HIS   7           HD1      HIS   7  -6.044   4.782  -1.022
  124    HD2  HIS   7           HD2      HIS   7  -3.817   1.274  -1.170
  125    HE1  HIS   7           HE1      HIS   7  -3.698   5.453  -1.688
  126    H    SER   8           H        SER   8  -8.399   2.339   2.297
  127    HA   SER   8           HA       SER   8 -10.093  -0.053   1.985
  128    HB2  SER   8           HB3      SER   8  -9.314   0.209   4.285
  129    HB3  SER   8           HB2      SER   8  -9.921   1.865   4.324
  130    HG   SER   8           HG       SER   8 -11.230  -0.391   4.859
  131    H    GLY   9           H        GLY   9 -12.200   0.189   1.403
  132    HA2  GLY   9           HA3      GLY   9 -14.221   1.510   1.271
  133    HA3  GLY   9           HA2      GLY   9 -13.215   2.940   1.096
  134    H    TYR  10           H        TYR  10 -15.335   2.307  -0.632
  135    HA   TYR  10           HA       TYR  10 -14.002   1.398  -3.083
  136    HB2  TYR  10           HB3      TYR  10 -16.253   1.169  -4.019
  137    HB3  TYR  10           HB2      TYR  10 -16.110   0.274  -2.510
  138    HD1  TYR  10           HD1      TYR  10 -17.310   0.985  -0.521
  139    HD2  TYR  10           HD2      TYR  10 -17.656   3.146  -4.168
  140    HE1  TYR  10           HE1      TYR  10 -19.279   2.159   0.369
  141    HE2  TYR  10           HE2      TYR  10 -19.626   4.328  -3.289
  142    HH   TYR  10           HH       TYR  10 -21.443   3.404  -0.977
  143    HN1  NH2  11           HN1      NH2  11 -14.914   4.285  -1.470
  144    HN2  NH2  11           HN2      NH2  11 -14.881   5.351  -2.857
  Start of MODEL    4
    1    H1   ASP   1           H1       ASP   1  -1.630   6.406  -0.794
    2    H2   ASP   1           H2       ASP   1  -0.853   7.688  -1.630
    3    H3   ASP   1           H3       ASP   1  -0.928   7.699   0.084
    4    HA   ASP   1           HA       ASP   1   1.232   7.064  -0.878
    5    HB2  ASP   1           HB3      ASP   1  -0.325   5.214   0.934
    6    HB3  ASP   1           HB2      ASP   1   1.415   5.078   0.691
    7    H    ALA   2           H        ALA   2   2.471   5.185  -1.614
    8    HA   ALA   2           HA       ALA   2   0.906   3.438  -3.402
    9    HB1  ALA   2           HB1      ALA   2   3.632   3.851  -4.286
   10    HB2  ALA   2           HB2      ALA   2   2.745   5.370  -4.172
   11    HB3  ALA   2           HB3      ALA   2   2.119   4.056  -5.165
   12    H    GLU   3           H        GLU   3   2.424   1.549  -4.163
   13    HA   GLU   3           HA       GLU   3   2.823  -0.159  -2.034
   14    HB2  GLU   3           HB3      GLU   3   2.739  -0.643  -4.572
   15    HB3  GLU   3           HB2      GLU   3   4.474  -0.367  -4.538
   16    HG2  GLU   3           HG3      GLU   3   4.220  -2.680  -4.351
   17    HG3  GLU   3           HG2      GLU   3   4.567  -2.129  -2.713
   18    H    PHE   4           H        PHE   4   5.098   2.083  -3.511
   19    HA   PHE   4           HA       PHE   4   7.388   1.136  -2.117
   20    HB2  PHE   4           HB3      PHE   4   8.464   3.201  -2.871
   21    HB3  PHE   4           HB2      PHE   4   7.570   2.450  -4.188
   22    HD1  PHE   4           HD1      PHE   4   7.340   5.114  -1.615
   23    HD2  PHE   4           HD2      PHE   4   5.977   3.659  -5.374
   24    HE1  PHE   4           HE1      PHE   4   6.132   7.225  -1.989
   25    HE2  PHE   4           HE2      PHE   4   4.768   5.767  -5.757
   26    HZ   PHE   4           HZ       PHE   4   4.845   7.555  -4.063
   27    H    ARG   5           H        ARG   5   4.855   3.417  -1.383
   28    HA   ARG   5           HA       ARG   5   6.226   4.520   0.902
   29    HB2  ARG   5           HB3      ARG   5   4.616   5.817  -0.516
   30    HB3  ARG   5           HB2      ARG   5   3.323   4.817   0.134
   31    HG2  ARG   5           HG3      ARG   5   3.236   6.723   1.439
   32    HG3  ARG   5           HG2      ARG   5   4.157   5.595   2.434
   33    HD2  ARG   5           HD3      ARG   5   6.244   6.629   1.563
   34    HD3  ARG   5           HD2      ARG   5   5.254   7.819   0.718
   35    HE   ARG   5           HE       ARG   5   4.769   7.639   3.559
   36   HH11  ARG   5          HH11      ARG   5   6.618   9.185   1.033
   37   HH12  ARG   5          HH12      ARG   5   6.979  10.586   1.985
   38   HH21  ARG   5          HH21      ARG   5   5.245   9.481   4.809
   39   HH22  ARG   5          HH22      ARG   5   6.201  10.754   4.128
   40    H    HIS   6           H        HIS   6   3.655   2.181   0.297
   41    HA   HIS   6           HA       HIS   6   2.905   1.819   3.007
   42    HB2  HIS   6           HB3      HIS   6   2.666  -0.170   0.744
   43    HB3  HIS   6           HB2      HIS   6   1.752  -0.180   2.247
   44    HD1  HIS   6           HD1      HIS   6   0.395   2.360   2.505
   45    HD2  HIS   6           HD2      HIS   6   1.200   0.772  -1.246
   46    HE1  HIS   6           HE1      HIS   6  -1.215   3.473   0.904
   47    H    HIS   7           H        HIS   7   5.211   0.206   0.897
   48    HA   HIS   7           HA       HIS   7   6.066  -1.517   3.105
   49    HB2  HIS   7           HB3      HIS   7   6.840  -1.569   0.182
   50    HB3  HIS   7           HB2      HIS   7   7.315  -2.755   1.392
   51    HD1  HIS   7           HD1      HIS   7   5.678  -4.646   1.850
   52    HD2  HIS   7           HD2      HIS   7   4.034  -1.595  -0.444
   53    HE1  HIS   7           HE1      HIS   7   3.439  -5.492   1.032
   54    H    SER   8           H        SER   8   7.785  -1.016   4.279
   55    HA   SER   8           HA       SER   8   9.813   0.778   3.114
   56    HB2  SER   8           HB3      SER   8   8.857   0.665   5.986
   57    HB3  SER   8           HB2      SER   8  10.185   1.666   5.400
   58    HG   SER   8           HG       SER   8   8.781   2.917   4.307
   59    H    GLY   9           H        GLY   9  11.982   0.400   3.663
   60    HA2  GLY   9           HA3      GLY   9  13.770  -0.780   4.616
   61    HA3  GLY   9           HA2      GLY   9  12.623  -1.927   5.293
   62    H    TYR  10           H        TYR  10  14.715  -3.109   4.314
   63    HA   TYR  10           HA       TYR  10  14.430  -3.698   1.496
   64    HB2  TYR  10           HB3      TYR  10  16.295  -4.751   3.625
   65    HB3  TYR  10           HB2      TYR  10  16.321  -5.306   1.955
   66    HD1  TYR  10           HD1      TYR  10  17.080  -2.528   4.214
   67    HD2  TYR  10           HD2      TYR  10  17.140  -3.866   0.176
   68    HE1  TYR  10           HE1      TYR  10  18.570  -0.663   3.625
   69    HE2  TYR  10           HE2      TYR  10  18.632  -2.005  -0.426
   70    HH   TYR  10           HH       TYR  10  20.439  -0.449   1.352
   71    HN1  NH2  11           HN1      NH2  11  12.426  -4.777   1.194
   72    HN2  NH2  11           HN2      NH2  11  12.106  -6.350   1.889
   73    H1   ASP   1           H1       ASP   1   1.047  -7.539   1.693
   74    H2   ASP   1           H2       ASP   1   1.410  -5.871   1.514
   75    H3   ASP   1           H3       ASP   1   1.688  -6.957   0.214
   76    HA   ASP   1           HA       ASP   1  -0.750  -7.440   0.305
   77    HB2  ASP   1           HB3      ASP   1  -0.796  -4.761   1.696
   78    HB3  ASP   1           HB2      ASP   1  -2.144  -5.846   1.387
   79    H    ALA   2           H        ALA   2  -2.256  -5.810  -0.912
   80    HA   ALA   2           HA       ALA   2  -0.568  -4.386  -2.866
   81    HB1  ALA   2           HB1      ALA   2  -1.616  -5.548  -4.437
   82    HB2  ALA   2           HB2      ALA   2  -3.155  -4.849  -3.929
   83    HB3  ALA   2           HB3      ALA   2  -2.589  -6.355  -3.209
   84    H    GLU   3           H        GLU   3  -1.965  -2.698  -4.111
   85    HA   GLU   3           HA       GLU   3  -2.463  -0.558  -2.439
   86    HB2  GLU   3           HB3      GLU   3  -2.117  -0.621  -4.991
   87    HB3  GLU   3           HB2      GLU   3  -3.855  -0.864  -5.086
   88    HG2  GLU   3           HG3      GLU   3  -3.830   1.385  -5.249
   89    HG3  GLU   3           HG2      GLU   3  -3.837   1.263  -3.490
   90    H    PHE   4           H        PHE   4  -4.693  -3.035  -3.566
   91    HA   PHE   4           HA       PHE   4  -7.047  -1.706  -2.685
   92    HB2  PHE   4           HB3      PHE   4  -8.196  -3.784  -3.096
   93    HB3  PHE   4           HB2      PHE   4  -7.035  -3.523  -4.391
   94    HD1  PHE   4           HD1      PHE   4  -7.898  -5.561  -1.485
   95    HD2  PHE   4           HD2      PHE   4  -5.095  -4.941  -4.626
   96    HE1  PHE   4           HE1      PHE   4  -6.951  -7.793  -1.075
   97    HE2  PHE   4           HE2      PHE   4  -4.142  -7.173  -4.222
   98    HZ   PHE   4           HZ       PHE   4  -5.071  -8.602  -2.446
   99    H    ARG   5           H        ARG   5  -4.754  -3.881  -1.182
  100    HA   ARG   5           HA       ARG   5  -6.338  -4.390   1.146
  101    HB2  ARG   5           HB3      ARG   5  -3.398  -4.714   0.565
  102    HB3  ARG   5           HB2      ARG   5  -4.124  -5.158   2.104
  103    HG2  ARG   5           HG3      ARG   5  -5.719  -6.581   0.630
  104    HG3  ARG   5           HG2      ARG   5  -4.441  -6.422  -0.575
  105    HD2  ARG   5           HD3      ARG   5  -2.992  -7.722   0.598
  106    HD3  ARG   5           HD2      ARG   5  -3.615  -7.193   2.159
  107    HE   ARG   5           HE       ARG   5  -5.230  -8.863   2.070
  108   HH11  ARG   5          HH11      ARG   5  -3.351  -8.806  -0.876
  109   HH12  ARG   5          HH12      ARG   5  -3.901 -10.362  -1.398
  110   HH21  ARG   5          HH21      ARG   5  -5.950 -10.905   1.379
  111   HH22  ARG   5          HH22      ARG   5  -5.375 -11.552  -0.122
  112    H    HIS   6           H        HIS   6  -3.697  -2.199   0.339
  113    HA   HIS   6           HA       HIS   6  -3.464  -1.012   2.903
  114    HB2  HIS   6           HB3      HIS   6  -2.798   0.250   0.239
  115    HB3  HIS   6           HB2      HIS   6  -2.146   0.701   1.810
  116    HD1  HIS   6           HD1      HIS   6  -0.769  -1.498   2.981
  117    HD2  HIS   6           HD2      HIS   6  -1.159  -1.291  -1.148
  118    HE1  HIS   6           HE1      HIS   6   1.041  -2.989   2.018
  119    H    HIS   7           H        HIS   7  -5.323  -0.225   0.026
  120    HA   HIS   7           HA       HIS   7  -6.585   2.024   1.418
  121    HB2  HIS   7           HB3      HIS   7  -6.733   1.194  -1.488
  122    HB3  HIS   7           HB2      HIS   7  -7.476   2.632  -0.798
  123    HD1  HIS   7           HD1      HIS   7  -6.092   4.706  -0.959
  124    HD2  HIS   7           HD2      HIS   7  -3.785   1.255  -1.173
  125    HE1  HIS   7           HE1      HIS   7  -3.723   5.461  -1.417
  126    H    SER   8           H        SER   8  -7.795   0.594   2.824
  127    HA   SER   8           HA       SER   8 -10.227  -0.398   1.507
  128    HB2  SER   8           HB3      SER   8  -8.836  -2.345   2.034
  129    HB3  SER   8           HB2      SER   8  -8.711  -1.816   3.712
  130    HG   SER   8           HG       SER   8 -11.038  -2.664   2.332
  131    H    GLY   9           H        GLY   9 -12.099   0.157   2.474
  132    HA2  GLY   9           HA3      GLY   9 -13.557   1.083   3.988
  133    HA3  GLY   9           HA2      GLY   9 -12.380   0.714   5.239
  134    H    TYR  10           H        TYR  10 -14.130   3.117   4.542
  135    HA   TYR  10           HA       TYR  10 -12.001   5.148   4.447
  136    HB2  TYR  10           HB3      TYR  10 -13.872   6.722   3.844
  137    HB3  TYR  10           HB2      TYR  10 -13.540   5.474   2.648
  138    HD1  TYR  10           HD1      TYR  10 -15.122   3.649   2.285
  139    HD2  TYR  10           HD2      TYR  10 -15.945   6.737   5.092
  140    HE1  TYR  10           HE1      TYR  10 -17.481   2.958   2.342
  141    HE2  TYR  10           HE2      TYR  10 -18.307   6.055   5.158
  142    HH   TYR  10           HH       TYR  10 -19.646   3.848   2.903
  143    HN1  NH2  11           HN1      NH2  11 -14.184   3.604   6.579
  144    HN2  NH2  11           HN2      NH2  11 -14.192   4.819   7.837
  Start of MODEL    5
    1    H1   ASP   1           H1       ASP   1  -0.570   7.727  -2.078
    2    H2   ASP   1           H2       ASP   1  -0.915   7.683  -0.398
    3    H3   ASP   1           H3       ASP   1  -1.554   6.478  -1.440
    4    HA   ASP   1           HA       ASP   1   1.328   6.898  -1.158
    5    HB2  ASP   1           HB3      ASP   1  -0.526   5.237   0.563
    6    HB3  ASP   1           HB2      ASP   1   1.226   5.040   0.537
    7    H    ALA   2           H        ALA   2   2.505   5.074  -1.892
    8    HA   ALA   2           HA       ALA   2   0.944   3.220  -3.573
    9    HB1  ALA   2           HB1      ALA   2   2.960   5.057  -4.344
   10    HB2  ALA   2           HB2      ALA   2   2.104   3.883  -5.344
   11    HB3  ALA   2           HB3      ALA   2   3.608   3.429  -4.543
   12    H    GLU   3           H        GLU   3   2.540   1.309  -4.227
   13    HA   GLU   3           HA       GLU   3   2.853  -0.301  -2.007
   14    HB2  GLU   3           HB3      GLU   3   2.887  -0.909  -4.516
   15    HB3  GLU   3           HB2      GLU   3   4.614  -0.598  -4.427
   16    HG2  GLU   3           HG3      GLU   3   4.456  -2.887  -4.118
   17    HG3  GLU   3           HG2      GLU   3   4.613  -2.263  -2.477
   18    H    PHE   4           H        PHE   4   5.196   1.858  -3.515
   19    HA   PHE   4           HA       PHE   4   7.403   1.023  -1.928
   20    HB2  PHE   4           HB3      PHE   4   8.538   3.003  -2.781
   21    HB3  PHE   4           HB2      PHE   4   7.689   2.185  -4.087
   22    HD1  PHE   4           HD1      PHE   4   7.753   5.147  -1.931
   23    HD2  PHE   4           HD2      PHE   4   5.826   3.214  -5.194
   24    HE1  PHE   4           HE1      PHE   4   6.622   7.254  -2.506
   25    HE2  PHE   4           HE2      PHE   4   4.690   5.317  -5.775
   26    HZ   PHE   4           HZ       PHE   4   5.087   7.340  -4.431
   27    H    ARG   5           H        ARG   5   4.864   3.397  -1.546
   28    HA   ARG   5           HA       ARG   5   6.072   4.705   0.699
   29    HB2  ARG   5           HB3      ARG   5   4.363   5.708  -0.900
   30    HB3  ARG   5           HB2      ARG   5   3.153   4.755  -0.051
   31    HG2  ARG   5           HG3      ARG   5   2.968   6.718   1.077
   32    HG3  ARG   5           HG2      ARG   5   4.200   5.925   2.060
   33    HD2  ARG   5           HD3      ARG   5   5.895   7.257   1.247
   34    HD3  ARG   5           HD2      ARG   5   5.040   7.609  -0.253
   35    HE   ARG   5           HE       ARG   5   4.113   9.428   0.762
   36   HH11  ARG   5          HH11      ARG   5   5.247   7.246   3.240
   37   HH12  ARG   5          HH12      ARG   5   4.895   8.338   4.537
   38   HH21  ARG   5          HH21      ARG   5   3.650  10.864   2.466
   39   HH22  ARG   5          HH22      ARG   5   3.986  10.393   4.098
   40    H    HIS   6           H        HIS   6   3.606   2.223   0.234
   41    HA   HIS   6           HA       HIS   6   2.927   1.973   2.991
   42    HB2  HIS   6           HB3      HIS   6   2.621  -0.080   0.790
   43    HB3  HIS   6           HB2      HIS   6   1.767  -0.063   2.330
   44    HD1  HIS   6           HD1      HIS   6   0.337   2.411   2.591
   45    HD2  HIS   6           HD2      HIS   6   1.118   0.845  -1.176
   46    HE1  HIS   6           HE1      HIS   6  -1.329   3.482   1.018
   47    H    HIS   7           H        HIS   7   5.014   0.144   0.805
   48    HA   HIS   7           HA       HIS   7   5.999  -1.502   2.983
   49    HB2  HIS   7           HB3      HIS   7   6.696  -1.473   0.040
   50    HB3  HIS   7           HB2      HIS   7   7.280  -2.653   1.208
   51    HD1  HIS   7           HD1      HIS   7   5.713  -4.587   1.794
   52    HD2  HIS   7           HD2      HIS   7   3.918  -1.674  -0.569
   53    HE1  HIS   7           HE1      HIS   7   3.504  -5.550   1.023
   54    H    SER   8           H        SER   8   8.042  -1.452   3.817
   55    HA   SER   8           HA       SER   8   9.569   0.985   3.289
   56    HB2  SER   8           HB3      SER   8   9.346  -0.905   5.587
   57    HB3  SER   8           HB2      SER   8  10.862  -0.027   5.381
   58    HG   SER   8           HG       SER   8   9.533   1.910   5.296
   59    H    GLY   9           H        GLY   9  11.410   0.970   2.176
   60    HA2  GLY   9           HA3      GLY   9  13.631  -0.157   1.982
   61    HA3  GLY   9           HA2      GLY   9  12.723  -1.639   1.720
   62    H    TYR  10           H        TYR  10  12.385  -2.232  -0.316
   63    HA   TYR  10           HA       TYR  10  12.811  -0.223  -2.424
   64    HB2  TYR  10           HB3      TYR  10  13.082  -3.234  -2.552
   65    HB3  TYR  10           HB2      TYR  10  13.364  -2.128  -3.893
   66    HD1  TYR  10           HD1      TYR  10  14.509  -2.744  -0.391
   67    HD2  TYR  10           HD2      TYR  10  15.527  -1.411  -4.300
   68    HE1  TYR  10           HE1      TYR  10  16.855  -2.509   0.308
   69    HE2  TYR  10           HE2      TYR  10  17.876  -1.173  -3.613
   70    HH   TYR  10           HH       TYR  10  18.940  -0.855  -0.772
   71    HN1  NH2  11           HN1      NH2  11  10.229  -1.138  -0.858
   72    HN2  NH2  11           HN2      NH2  11   9.093  -1.438  -2.154
   73    H1   ASP   1           H1       ASP   1   0.685  -7.511   1.880
   74    H2   ASP   1           H2       ASP   1   1.518  -6.543   0.735
   75    H3   ASP   1           H3       ASP   1   0.758  -7.998   0.237
   76    HA   ASP   1           HA       ASP   1  -1.339  -7.149   0.488
   77    HB2  ASP   1           HB3      ASP   1   0.031  -4.929   2.022
   78    HB3  ASP   1           HB2      ASP   1  -1.669  -4.890   1.563
   79    H    ALA   2           H        ALA   2  -2.390  -5.552  -0.858
   80    HA   ALA   2           HA       ALA   2  -0.532  -4.222  -2.724
   81    HB1  ALA   2           HB1      ALA   2  -3.111  -4.800  -3.894
   82    HB2  ALA   2           HB2      ALA   2  -2.334  -6.267  -3.298
   83    HB3  ALA   2           HB3      ALA   2  -1.497  -5.234  -4.456
   84    H    GLU   3           H        GLU   3  -1.872  -2.547  -4.089
   85    HA   GLU   3           HA       GLU   3  -2.498  -0.408  -2.470
   86    HB2  GLU   3           HB3      GLU   3  -2.066  -0.507  -5.015
   87    HB3  GLU   3           HB2      GLU   3  -3.801  -0.757  -5.154
   88    HG2  GLU   3           HG3      GLU   3  -3.479   1.539  -5.447
   89    HG3  GLU   3           HG2      GLU   3  -4.073   1.361  -3.796
   90    H    PHE   4           H        PHE   4  -4.632  -2.915  -3.714
   91    HA   PHE   4           HA       PHE   4  -7.050  -1.668  -2.890
   92    HB2  PHE   4           HB3      PHE   4  -8.089  -3.852  -3.302
   93    HB3  PHE   4           HB2      PHE   4  -7.019  -3.404  -4.625
   94    HD1  PHE   4           HD1      PHE   4  -7.231  -5.479  -1.563
   95    HD2  PHE   4           HD2      PHE   4  -5.281  -4.813  -5.286
   96    HE1  PHE   4           HE1      PHE   4  -6.051  -7.625  -1.326
   97    HE2  PHE   4           HE2      PHE   4  -4.098  -6.957  -5.055
   98    HZ   PHE   4           HZ       PHE   4  -4.483  -8.367  -3.073
   99    H    ARG   5           H        ARG   5  -4.728  -3.768  -1.345
  100    HA   ARG   5           HA       ARG   5  -6.409  -4.345   0.918
  101    HB2  ARG   5           HB3      ARG   5  -4.650  -5.906   0.130
  102    HB3  ARG   5           HB2      ARG   5  -3.430  -4.724   0.586
  103    HG2  ARG   5           HG3      ARG   5  -3.529  -6.336   2.312
  104    HG3  ARG   5           HG2      ARG   5  -4.292  -4.871   2.930
  105    HD2  ARG   5           HD3      ARG   5  -6.442  -5.781   2.748
  106    HD3  ARG   5           HD2      ARG   5  -5.900  -7.066   1.667
  107    HE   ARG   5           HE       ARG   5  -4.745  -7.138   4.312
  108   HH11  ARG   5          HH11      ARG   5  -7.376  -8.201   2.279
  109   HH12  ARG   5          HH12      ARG   5  -7.735  -9.585   3.256
  110   HH21  ARG   5          HH21      ARG   5  -5.215  -8.959   5.594
  111   HH22  ARG   5          HH22      ARG   5  -6.509 -10.016   5.137
  112    H    HIS   6           H        HIS   6  -3.744  -2.149   0.190
  113    HA   HIS   6           HA       HIS   6  -3.460  -1.131   2.828
  114    HB2  HIS   6           HB3      HIS   6  -2.772   0.264   0.236
  115    HB3  HIS   6           HB2      HIS   6  -2.116   0.619   1.830
  116    HD1  HIS   6           HD1      HIS   6  -0.833  -1.722   2.878
  117    HD2  HIS   6           HD2      HIS   6  -1.095  -1.161  -1.228
  118    HE1  HIS   6           HE1      HIS   6   0.977  -3.163   1.846
  119    H    HIS   7           H        HIS   7  -5.313  -0.136   0.008
  120    HA   HIS   7           HA       HIS   7  -6.445   2.125   1.461
  121    HB2  HIS   7           HB3      HIS   7  -6.801   1.229  -1.406
  122    HB3  HIS   7           HB2      HIS   7  -7.494   2.689  -0.711
  123    HD1  HIS   7           HD1      HIS   7  -6.123   4.739  -1.087
  124    HD2  HIS   7           HD2      HIS   7  -3.820   1.279  -1.175
  125    HE1  HIS   7           HE1      HIS   7  -3.773   5.463  -1.673
  126    H    SER   8           H        SER   8  -8.545   2.286   2.086
  127    HA   SER   8           HA       SER   8 -10.303  -0.013   1.548
  128    HB2  SER   8           HB3      SER   8  -9.240   0.055   3.901
  129    HB3  SER   8           HB2      SER   8 -10.312   1.424   4.197
  130    HG   SER   8           HG       SER   8 -12.025  -0.081   3.436
  131    H    GLY   9           H        GLY   9 -12.110   0.606   0.570
  132    HA2  GLY   9           HA3      GLY   9 -14.035   2.297   1.289
  133    HA3  GLY   9           HA2      GLY   9 -12.870   3.417   0.604
  134    H    TYR  10           H        TYR  10 -14.968   3.709  -0.721
  135    HA   TYR  10           HA       TYR  10 -15.665   1.779  -2.662
  136    HB2  TYR  10           HB3      TYR  10 -16.835   3.652  -3.788
  137    HB3  TYR  10           HB2      TYR  10 -17.202   3.563  -2.069
  138    HD1  TYR  10           HD1      TYR  10 -16.416   5.280  -0.537
  139    HD2  TYR  10           HD2      TYR  10 -15.529   5.492  -4.693
  140    HE1  TYR  10           HE1      TYR  10 -15.751   7.632  -0.269
  141    HE2  TYR  10           HE2      TYR  10 -14.862   7.845  -4.436
  142    HH   TYR  10           HH       TYR  10 -15.669   9.731  -2.003
  143    HN1  NH2  11           HN1      NH2  11 -12.697   3.006  -2.362
  144    HN2  NH2  11           HN2      NH2  11 -12.241   3.196  -4.040
  Start of MODEL    6
    1    H1   ASP   1           H1       ASP   1  -0.908   7.876   0.111
    2    H2   ASP   1           H2       ASP   1  -1.530   6.277   0.071
    3    H3   ASP   1           H3       ASP   1  -1.324   7.158  -1.388
    4    HA   ASP   1           HA       ASP   1   1.082   7.269  -0.820
    5    HB2  ASP   1           HB3      ASP   1   0.081   5.202   1.147
    6    HB3  ASP   1           HB2      ASP   1   1.772   5.335   0.677
    7    H    ALA   2           H        ALA   2   2.490   5.322  -1.490
    8    HA   ALA   2           HA       ALA   2   0.957   3.646  -3.370
    9    HB1  ALA   2           HB1      ALA   2   3.619   3.865  -4.281
   10    HB2  ALA   2           HB2      ALA   2   3.078   5.491  -3.869
   11    HB3  ALA   2           HB3      ALA   2   2.157   4.520  -5.018
   12    H    GLU   3           H        GLU   3   2.437   1.749  -4.146
   13    HA   GLU   3           HA       GLU   3   2.724  -0.048  -2.066
   14    HB2  GLU   3           HB3      GLU   3   2.603  -0.506  -4.572
   15    HB3  GLU   3           HB2      GLU   3   4.333  -0.202  -4.606
   16    HG2  GLU   3           HG3      GLU   3   4.131  -2.521  -4.462
   17    HG3  GLU   3           HG2      GLU   3   4.529  -2.002  -2.826
   18    H    PHE   4           H        PHE   4   5.166   2.052  -3.513
   19    HA   PHE   4           HA       PHE   4   7.356   0.951  -2.085
   20    HB2  PHE   4           HB3      PHE   4   8.628   2.816  -2.887
   21    HB3  PHE   4           HB2      PHE   4   7.533   2.339  -4.178
   22    HD1  PHE   4           HD1      PHE   4   8.478   4.949  -1.855
   23    HD2  PHE   4           HD2      PHE   4   5.560   3.727  -4.701
   24    HE1  PHE   4           HE1      PHE   4   7.641   7.258  -1.982
   25    HE2  PHE   4           HE2      PHE   4   4.720   6.036  -4.836
   26    HZ   PHE   4           HZ       PHE   4   5.759   7.805  -3.474
   27    H    ARG   5           H        ARG   5   4.953   3.356  -1.361
   28    HA   ARG   5           HA       ARG   5   6.350   4.376   0.948
   29    HB2  ARG   5           HB3      ARG   5   4.837   5.778  -0.445
   30    HB3  ARG   5           HB2      ARG   5   3.483   4.805   0.109
   31    HG2  ARG   5           HG3      ARG   5   3.296   6.008   1.956
   32    HG3  ARG   5           HG2      ARG   5   4.994   5.758   2.354
   33    HD2  ARG   5           HD3      ARG   5   4.132   7.771   0.303
   34    HD3  ARG   5           HD2      ARG   5   4.180   8.167   2.018
   35    HE   ARG   5           HE       ARG   5   6.592   7.525   1.910
   36   HH11  ARG   5          HH11      ARG   5   4.927   8.624  -0.967
   37   HH12  ARG   5          HH12      ARG   5   6.375   9.174  -1.734
   38   HH21  ARG   5          HH21      ARG   5   8.484   8.255   0.891
   39   HH22  ARG   5          HH22      ARG   5   8.390   8.968  -0.685
   40    H    HIS   6           H        HIS   6   3.682   2.157   0.302
   41    HA   HIS   6           HA       HIS   6   2.874   1.803   2.989
   42    HB2  HIS   6           HB3      HIS   6   2.659  -0.202   0.733
   43    HB3  HIS   6           HB2      HIS   6   1.699  -0.174   2.208
   44    HD1  HIS   6           HD1      HIS   6   0.542   2.548   2.354
   45    HD2  HIS   6           HD2      HIS   6   1.120   0.600  -1.266
   46    HE1  HIS   6           HE1      HIS   6  -1.016   3.649   0.695
   47    H    HIS   7           H        HIS   7   5.198   0.139   0.939
   48    HA   HIS   7           HA       HIS   7   5.983  -1.585   3.169
   49    HB2  HIS   7           HB3      HIS   7   6.803  -1.652   0.259
   50    HB3  HIS   7           HB2      HIS   7   7.266  -2.832   1.480
   51    HD1  HIS   7           HD1      HIS   7   5.627  -4.721   1.929
   52    HD2  HIS   7           HD2      HIS   7   4.009  -1.680  -0.399
   53    HE1  HIS   7           HE1      HIS   7   3.392  -5.567   1.101
   54    H    SER   8           H        SER   8   8.091  -1.682   3.940
   55    HA   SER   8           HA       SER   8  10.059   0.205   2.931
   56    HB2  SER   8           HB3      SER   8   8.473   0.717   5.299
   57    HB3  SER   8           HB2      SER   8  10.184   0.601   5.708
   58    HG   SER   8           HG       SER   8   9.316   2.730   5.007
   59    H    GLY   9           H        GLY   9  11.052  -1.837   2.382
   60    HA2  GLY   9           HA3      GLY   9  12.648  -2.857   4.615
   61    HA3  GLY   9           HA2      GLY   9  11.706  -4.019   3.690
   62    H    TYR  10           H        TYR  10  14.548  -2.094   3.802
   63    HA   TYR  10           HA       TYR  10  15.260  -2.529   1.035
   64    HB2  TYR  10           HB3      TYR  10  16.843  -1.385   3.343
   65    HB3  TYR  10           HB2      TYR  10  17.394  -1.427   1.672
   66    HD1  TYR  10           HD1      TYR  10  15.105   0.161   4.048
   67    HD2  TYR  10           HD2      TYR  10  16.429   0.057   0.006
   68    HE1  TYR  10           HE1      TYR  10  13.998   2.317   3.635
   69    HE2  TYR  10           HE2      TYR  10  15.326   2.213  -0.417
   70    HH   TYR  10           HH       TYR  10  14.593   4.202   0.925
   71    HN1  NH2  11           HN1      NH2  11  17.689  -3.396   0.690
   72    HN2  NH2  11           HN2      NH2  11  18.006  -4.922   1.483
   73    H1   ASP   1           H1       ASP   1   1.641  -6.483   0.560
   74    H2   ASP   1           H2       ASP   1   1.052  -7.959  -0.088
   75    H3   ASP   1           H3       ASP   1   0.867  -7.619   1.585
   76    HA   ASP   1           HA       ASP   1  -1.131  -7.346   0.148
   77    HB2  ASP   1           HB3      ASP   1   0.004  -5.215   1.954
   78    HB3  ASP   1           HB2      ASP   1  -1.635  -5.115   1.320
   79    H    ALA   2           H        ALA   2  -2.295  -5.782  -1.134
   80    HA   ALA   2           HA       ALA   2  -0.517  -4.244  -2.913
   81    HB1  ALA   2           HB1      ALA   2  -1.557  -5.101  -4.691
   82    HB2  ALA   2           HB2      ALA   2  -3.153  -4.834  -3.987
   83    HB3  ALA   2           HB3      ALA   2  -2.242  -6.288  -3.579
   84    H    GLU   3           H        GLU   3  -1.952  -2.555  -4.174
   85    HA   GLU   3           HA       GLU   3  -2.506  -0.458  -2.497
   86    HB2  GLU   3           HB3      GLU   3  -2.331  -0.645  -5.123
   87    HB3  GLU   3           HB2      GLU   3  -4.085  -0.696  -5.018
   88    HG2  GLU   3           HG3      GLU   3  -3.866   1.533  -5.191
   89    HG3  GLU   3           HG2      GLU   3  -3.619   1.417  -3.450
   90    H    PHE   4           H        PHE   4  -4.733  -2.954  -3.619
   91    HA   PHE   4           HA       PHE   4  -7.065  -1.715  -2.571
   92    HB2  PHE   4           HB3      PHE   4  -8.193  -3.812  -3.014
   93    HB3  PHE   4           HB2      PHE   4  -7.136  -3.424  -4.366
   94    HD1  PHE   4           HD1      PHE   4  -7.723  -5.683  -1.557
   95    HD2  PHE   4           HD2      PHE   4  -5.175  -4.749  -4.835
   96    HE1  PHE   4           HE1      PHE   4  -6.677  -7.902  -1.370
   97    HE2  PHE   4           HE2      PHE   4  -4.123  -6.965  -4.654
   98    HZ   PHE   4           HZ       PHE   4  -4.874  -8.546  -2.922
   99    H    ARG   5           H        ARG   5  -4.621  -3.816  -1.255
  100    HA   ARG   5           HA       ARG   5  -6.085  -4.567   1.089
  101    HB2  ARG   5           HB3      ARG   5  -3.139  -4.591   0.437
  102    HB3  ARG   5           HB2      ARG   5  -3.794  -5.194   1.952
  103    HG2  ARG   5           HG3      ARG   5  -4.539  -6.240  -0.763
  104    HG3  ARG   5           HG2      ARG   5  -3.317  -6.953   0.285
  105    HD2  ARG   5           HD3      ARG   5  -5.098  -7.170   2.044
  106    HD3  ARG   5           HD2      ARG   5  -6.270  -6.698   0.815
  107    HE   ARG   5           HE       ARG   5  -5.034  -8.761  -0.362
  108   HH11  ARG   5          HH11      ARG   5  -6.392  -8.398   2.833
  109   HH12  ARG   5          HH12      ARG   5  -6.795 -10.075   2.987
  110   HH21  ARG   5          HH21      ARG   5  -5.564 -10.967  -0.159
  111   HH22  ARG   5          HH22      ARG   5  -6.325 -11.533   1.290
  112    H    HIS   6           H        HIS   6  -3.631  -2.155   0.325
  113    HA   HIS   6           HA       HIS   6  -3.495  -1.055   2.951
  114    HB2  HIS   6           HB3      HIS   6  -2.733   0.303   0.365
  115    HB3  HIS   6           HB2      HIS   6  -2.114   0.651   1.976
  116    HD1  HIS   6           HD1      HIS   6  -0.686  -1.482   3.051
  117    HD2  HIS   6           HD2      HIS   6  -1.222  -1.360  -1.066
  118    HE1  HIS   6           HE1      HIS   6   1.058  -3.029   2.059
  119    H    HIS   7           H        HIS   7  -5.222  -0.190   0.001
  120    HA   HIS   7           HA       HIS   7  -6.521   2.042   1.360
  121    HB2  HIS   7           HB3      HIS   7  -6.663   1.130  -1.522
  122    HB3  HIS   7           HB2      HIS   7  -7.435   2.576  -0.876
  123    HD1  HIS   7           HD1      HIS   7  -6.092   4.659  -1.173
  124    HD2  HIS   7           HD2      HIS   7  -3.708   1.255  -1.097
  125    HE1  HIS   7           HE1      HIS   7  -3.725   5.440  -1.595
  126    H    SER   8           H        SER   8  -8.922   2.300   0.877
  127    HA   SER   8           HA       SER   8 -10.238  -0.263   1.447
  128    HB2  SER   8           HB3      SER   8 -10.518   1.428   3.188
  129    HB3  SER   8           HB2      SER   8 -11.157   2.567   2.003
  130    HG   SER   8           HG       SER   8 -13.028   1.607   2.100
  131    H    GLY   9           H        GLY   9 -11.698  -1.099   0.086
  132    HA2  GLY   9           HA3      GLY   9 -13.508  -0.925  -1.462
  133    HA3  GLY   9           HA2      GLY   9 -12.886   0.639  -1.963
  134    H    TYR  10           H        TYR  10 -13.611  -1.754  -3.536
  135    HA   TYR  10           HA       TYR  10 -10.995  -2.333  -4.761
  136    HB2  TYR  10           HB3      TYR  10 -12.056  -4.342  -5.718
  137    HB3  TYR  10           HB2      TYR  10 -12.144  -4.335  -3.959
  138    HD1  TYR  10           HD1      TYR  10 -14.275  -4.064  -2.820
  139    HD2  TYR  10           HD2      TYR  10 -14.057  -4.081  -7.070
  140    HE1  TYR  10           HE1      TYR  10 -16.710  -4.380  -2.938
  141    HE2  TYR  10           HE2      TYR  10 -16.493  -4.396  -7.199
  142    HH   TYR  10           HH       TYR  10 -18.472  -4.029  -5.841
  143    HN1  NH2  11           HN1      NH2  11 -10.618  -1.778  -6.915
  144    HN2  NH2  11           HN2      NH2  11 -11.827  -1.044  -7.944
  Start of MODEL    7
    1    H1   ASP   1           H1       ASP   1  -1.509   6.651  -0.723
    2    H2   ASP   1           H2       ASP   1  -0.762   7.445  -2.049
    3    H3   ASP   1           H3       ASP   1  -0.547   8.045  -0.456
    4    HA   ASP   1           HA       ASP   1   1.400   6.948  -1.005
    5    HB2  ASP   1           HB3      ASP   1  -0.452   5.290   0.715
    6    HB3  ASP   1           HB2      ASP   1   1.279   4.986   0.598
    7    H    ALA   2           H        ALA   2   2.532   5.122  -1.817
    8    HA   ALA   2           HA       ALA   2   0.910   3.380  -3.561
    9    HB1  ALA   2           HB1      ALA   2   2.648   5.253  -4.453
   10    HB2  ALA   2           HB2      ALA   2   2.243   3.778  -5.330
   11    HB3  ALA   2           HB3      ALA   2   3.705   3.845  -4.347
   12    H    GLU   3           H        GLU   3   2.400   1.451  -4.312
   13    HA   GLU   3           HA       GLU   3   2.739  -0.252  -2.167
   14    HB2  GLU   3           HB3      GLU   3   2.589  -0.841  -4.631
   15    HB3  GLU   3           HB2      GLU   3   4.304  -0.469  -4.736
   16    HG2  GLU   3           HG3      GLU   3   4.251  -2.770  -4.472
   17    HG3  GLU   3           HG2      GLU   3   4.594  -2.174  -2.850
   18    H    PHE   4           H        PHE   4   4.964   2.091  -3.468
   19    HA   PHE   4           HA       PHE   4   7.255   1.006  -2.103
   20    HB2  PHE   4           HB3      PHE   4   8.443   2.962  -2.926
   21    HB3  PHE   4           HB2      PHE   4   7.487   2.256  -4.223
   22    HD1  PHE   4           HD1      PHE   4   7.419   4.950  -1.664
   23    HD2  PHE   4           HD2      PHE   4   6.023   3.577  -5.443
   24    HE1  PHE   4           HE1      PHE   4   6.365   7.136  -2.065
   25    HE2  PHE   4           HE2      PHE   4   4.965   5.760  -5.849
   26    HZ   PHE   4           HZ       PHE   4   5.135   7.544  -4.160
   27    H    ARG   5           H        ARG   5   4.771   3.347  -1.431
   28    HA   ARG   5           HA       ARG   5   6.177   4.514   0.802
   29    HB2  ARG   5           HB3      ARG   5   4.617   5.850  -0.559
   30    HB3  ARG   5           HB2      ARG   5   3.295   4.807  -0.055
   31    HG2  ARG   5           HG3      ARG   5   3.290   6.873   1.204
   32    HG3  ARG   5           HG2      ARG   5   3.623   5.502   2.262
   33    HD2  ARG   5           HD3      ARG   5   6.016   6.013   2.165
   34    HD3  ARG   5           HD2      ARG   5   5.681   7.382   1.106
   35    HE   ARG   5           HE       ARG   5   4.183   7.670   3.459
   36   HH11  ARG   5          HH11      ARG   5   7.502   7.749   2.385
   37   HH12  ARG   5          HH12      ARG   5   8.005   8.860   3.615
   38   HH21  ARG   5          HH21      ARG   5   4.842   9.132   5.077
   39   HH22  ARG   5          HH22      ARG   5   6.497   9.644   5.144
   40    H    HIS   6           H        HIS   6   3.563   2.195   0.302
   41    HA   HIS   6           HA       HIS   6   2.851   1.907   3.028
   42    HB2  HIS   6           HB3      HIS   6   2.572  -0.142   0.823
   43    HB3  HIS   6           HB2      HIS   6   1.669  -0.095   2.332
   44    HD1  HIS   6           HD1      HIS   6   0.290   2.410   2.538
   45    HD2  HIS   6           HD2      HIS   6   1.156   0.818  -1.200
   46    HE1  HIS   6           HE1      HIS   6  -1.300   3.516   0.912
   47    H    HIS   7           H        HIS   7   5.096   0.202   0.921
   48    HA   HIS   7           HA       HIS   7   5.971  -1.489   3.135
   49    HB2  HIS   7           HB3      HIS   7   6.754  -1.495   0.212
   50    HB3  HIS   7           HB2      HIS   7   7.290  -2.668   1.411
   51    HD1  HIS   7           HD1      HIS   7   5.733  -4.622   1.886
   52    HD2  HIS   7           HD2      HIS   7   3.953  -1.645  -0.405
   53    HE1  HIS   7           HE1      HIS   7   3.531  -5.565   1.073
   54    H    SER   8           H        SER   8   7.771  -1.116   4.263
   55    HA   SER   8           HA       SER   8   9.753   0.763   3.162
   56    HB2  SER   8           HB3      SER   8   8.782   0.632   6.027
   57    HB3  SER   8           HB2      SER   8  10.085   1.664   5.439
   58    HG   SER   8           HG       SER   8   8.118   2.800   5.529
   59    H    GLY   9           H        GLY   9  11.920   0.425   3.772
   60    HA2  GLY   9           HA3      GLY   9  13.204  -1.077   5.494
   61    HA3  GLY   9           HA2      GLY   9  12.470  -2.352   4.533
   62    H    TYR  10           H        TYR  10  13.410  -2.957   2.658
   63    HA   TYR  10           HA       TYR  10  16.060  -2.061   2.123
   64    HB2  TYR  10           HB3      TYR  10  14.196  -3.916   0.639
   65    HB3  TYR  10           HB2      TYR  10  15.837  -3.577   0.101
   66    HD1  TYR  10           HD1      TYR  10  13.784  -5.256   2.626
   67    HD2  TYR  10           HD2      TYR  10  17.752  -4.437   1.326
   68    HE1  TYR  10           HE1      TYR  10  14.628  -7.029   4.106
   69    HE2  TYR  10           HE2      TYR  10  18.608  -6.208   2.802
   70    HH   TYR  10           HH       TYR  10  17.987  -7.446   4.746
   71    HN1  NH2  11           HN1      NH2  11  16.873  -1.044   0.133
   72    HN2  NH2  11           HN2      NH2  11  15.826   0.017  -0.783
   73    H1   ASP   1           H1       ASP   1   0.974  -7.954   0.223
   74    H2   ASP   1           H2       ASP   1   0.619  -7.676   1.880
   75    H3   ASP   1           H3       ASP   1   1.465  -6.491   0.970
   76    HA   ASP   1           HA       ASP   1  -1.252  -7.393   0.320
   77    HB2  ASP   1           HB3      ASP   1  -0.286  -5.171   2.124
   78    HB3  ASP   1           HB2      ASP   1  -1.906  -5.209   1.438
   79    H    ALA   2           H        ALA   2  -2.347  -5.777  -1.018
   80    HA   ALA   2           HA       ALA   2  -0.436  -4.330  -2.736
   81    HB1  ALA   2           HB1      ALA   2  -2.347  -6.270  -3.398
   82    HB2  ALA   2           HB2      ALA   2  -1.386  -5.284  -4.500
   83    HB3  ALA   2           HB3      ALA   2  -2.983  -4.736  -3.991
   84    H    GLU   3           H        GLU   3  -1.809  -2.633  -4.097
   85    HA   GLU   3           HA       GLU   3  -2.336  -0.486  -2.441
   86    HB2  GLU   3           HB3      GLU   3  -1.888  -0.442  -4.924
   87    HB3  GLU   3           HB2      GLU   3  -3.572  -0.882  -5.165
   88    HG2  GLU   3           HG3      GLU   3  -3.613   1.405  -5.413
   89    HG3  GLU   3           HG2      GLU   3  -4.075   1.203  -3.724
   90    H    PHE   4           H        PHE   4  -4.566  -2.919  -3.685
   91    HA   PHE   4           HA       PHE   4  -6.914  -1.594  -2.787
   92    HB2  PHE   4           HB3      PHE   4  -8.055  -3.738  -3.206
   93    HB3  PHE   4           HB2      PHE   4  -7.056  -3.243  -4.564
   94    HD1  PHE   4           HD1      PHE   4  -7.499  -5.679  -1.881
   95    HD2  PHE   4           HD2      PHE   4  -5.058  -4.476  -5.152
   96    HE1  PHE   4           HE1      PHE   4  -6.394  -7.876  -1.863
   97    HE2  PHE   4           HE2      PHE   4  -3.949  -6.670  -5.138
   98    HZ   PHE   4           HZ       PHE   4  -4.617  -8.375  -3.492
   99    H    ARG   5           H        ARG   5  -4.626  -3.757  -1.307
  100    HA   ARG   5           HA       ARG   5  -6.271  -4.398   0.959
  101    HB2  ARG   5           HB3      ARG   5  -3.332  -4.695   0.382
  102    HB3  ARG   5           HB2      ARG   5  -4.022  -5.124   1.940
  103    HG2  ARG   5           HG3      ARG   5  -4.752  -6.312  -0.718
  104    HG3  ARG   5           HG2      ARG   5  -3.770  -7.073   0.533
  105    HD2  ARG   5           HD3      ARG   5  -5.748  -6.836   2.074
  106    HD3  ARG   5           HD2      ARG   5  -6.692  -6.354   0.667
  107    HE   ARG   5           HE       ARG   5  -6.704  -8.540  -0.051
  108   HH11  ARG   5          HH11      ARG   5  -4.438  -8.196   2.584
  109   HH12  ARG   5          HH12      ARG   5  -4.231  -9.902   2.790
  110   HH21  ARG   5          HH21      ARG   5  -6.432 -10.781   0.222
  111   HH22  ARG   5          HH22      ARG   5  -5.361 -11.370   1.450
  112    H    HIS   6           H        HIS   6  -3.629  -2.168   0.291
  113    HA   HIS   6           HA       HIS   6  -3.450  -1.087   2.906
  114    HB2  HIS   6           HB3      HIS   6  -2.712   0.302   0.328
  115    HB3  HIS   6           HB2      HIS   6  -2.075   0.633   1.935
  116    HD1  HIS   6           HD1      HIS   6  -0.840  -1.750   2.972
  117    HD2  HIS   6           HD2      HIS   6  -1.010  -1.100  -1.127
  118    HE1  HIS   6           HE1      HIS   6   0.972  -3.194   1.943
  119    H    HIS   7           H        HIS   7  -5.239  -0.157   0.023
  120    HA   HIS   7           HA       HIS   7  -6.417   2.122   1.409
  121    HB2  HIS   7           HB3      HIS   7  -6.671   1.158  -1.445
  122    HB3  HIS   7           HB2      HIS   7  -7.452   2.602  -0.807
  123    HD1  HIS   7           HD1      HIS   7  -6.132   4.716  -1.042
  124    HD2  HIS   7           HD2      HIS   7  -3.730   1.328  -1.219
  125    HE1  HIS   7           HE1      HIS   7  -3.793   5.526  -1.568
  126    H    SER   8           H        SER   8  -8.000   1.575   2.766
  127    HA   SER   8           HA       SER   8 -10.456   0.563   1.763
  128    HB2  SER   8           HB3      SER   8  -9.292  -1.588   1.931
  129    HB3  SER   8           HB2      SER   8  -8.896  -1.256   3.617
  130    HG   SER   8           HG       SER   8 -10.735  -2.172   4.031
  131    H    GLY   9           H        GLY   9 -12.141   1.096   3.094
  132    HA2  GLY   9           HA3      GLY   9 -12.428   1.288   5.736
  133    HA3  GLY   9           HA2      GLY   9 -11.452   2.713   5.416
  134    H    TYR  10           H        TYR  10 -13.481   3.634   6.449
  135    HA   TYR  10           HA       TYR  10 -15.848   3.767   4.841
  136    HB2  TYR  10           HB3      TYR  10 -16.644   5.370   6.507
  137    HB3  TYR  10           HB2      TYR  10 -15.938   3.962   7.294
  138    HD1  TYR  10           HD1      TYR  10 -13.855   4.144   8.534
  139    HD2  TYR  10           HD2      TYR  10 -15.566   7.543   6.632
  140    HE1  TYR  10           HE1      TYR  10 -12.371   5.610   9.835
  141    HE2  TYR  10           HE2      TYR  10 -14.087   9.019   7.927
  142    HH   TYR  10           HH       TYR  10 -11.880   8.852   9.096
  143    HN1  NH2  11           HN1      NH2  11 -13.336   6.233   5.731
  144    HN2  NH2  11           HN2      NH2  11 -13.621   7.240   4.329
  Start of MODEL    8
    1    H1   ASP   1           H1       ASP   1  -1.605   6.392  -0.919
    2    H2   ASP   1           H2       ASP   1  -0.938   7.328  -2.195
    3    H3   ASP   1           H3       ASP   1  -0.811   7.870  -0.571
    4    HA   ASP   1           HA       ASP   1   1.253   7.004  -1.265
    5    HB2  ASP   1           HB3      ASP   1  -0.285   5.192   0.611
    6    HB3  ASP   1           HB2      ASP   1   1.471   5.228   0.480
    7    H    ALA   2           H        ALA   2   2.524   5.133  -1.904
    8    HA   ALA   2           HA       ALA   2   0.996   3.255  -3.590
    9    HB1  ALA   2           HB1      ALA   2   2.220   3.839  -5.349
   10    HB2  ALA   2           HB2      ALA   2   3.715   3.530  -4.467
   11    HB3  ALA   2           HB3      ALA   2   2.947   5.115  -4.372
   12    H    GLU   3           H        GLU   3   2.596   1.350  -4.219
   13    HA   GLU   3           HA       GLU   3   2.884  -0.267  -1.999
   14    HB2  GLU   3           HB3      GLU   3   2.975  -0.803  -4.558
   15    HB3  GLU   3           HB2      GLU   3   4.710  -0.612  -4.350
   16    HG2  GLU   3           HG3      GLU   3   4.283  -2.909  -4.136
   17    HG3  GLU   3           HG2      GLU   3   4.546  -2.318  -2.496
   18    H    PHE   4           H        PHE   4   5.268   1.854  -3.506
   19    HA   PHE   4           HA       PHE   4   7.463   1.016  -1.917
   20    HB2  PHE   4           HB3      PHE   4   8.579   3.036  -2.729
   21    HB3  PHE   4           HB2      PHE   4   7.746   2.224  -4.051
   22    HD1  PHE   4           HD1      PHE   4   7.583   5.083  -1.724
   23    HD2  PHE   4           HD2      PHE   4   6.033   3.303  -5.263
   24    HE1  PHE   4           HE1      PHE   4   6.405   7.176  -2.254
   25    HE2  PHE   4           HE2      PHE   4   4.851   5.393  -5.801
   26    HZ   PHE   4           HZ       PHE   4   5.035   7.333  -4.296
   27    H    ARG   5           H        ARG   5   4.938   3.401  -1.535
   28    HA   ARG   5           HA       ARG   5   6.103   4.676   0.747
   29    HB2  ARG   5           HB3      ARG   5   4.438   5.708  -0.860
   30    HB3  ARG   5           HB2      ARG   5   3.207   4.723  -0.087
   31    HG2  ARG   5           HG3      ARG   5   2.968   6.216   1.527
   32    HG3  ARG   5           HG2      ARG   5   4.684   6.120   1.917
   33    HD2  ARG   5           HD3      ARG   5   5.226   7.924   0.602
   34    HD3  ARG   5           HD2      ARG   5   3.843   7.694  -0.466
   35    HE   ARG   5           HE       ARG   5   2.842   8.387   2.028
   36   HH11  ARG   5          HH11      ARG   5   4.827   9.819  -0.460
   37   HH12  ARG   5          HH12      ARG   5   4.345  11.441  -0.085
   38   HH21  ARG   5          HH21      ARG   5   2.207  10.519   2.521
   39   HH22  ARG   5          HH22      ARG   5   2.860  11.838   1.607
   40    H    HIS   6           H        HIS   6   3.645   2.200   0.220
   41    HA   HIS   6           HA       HIS   6   2.920   1.922   2.961
   42    HB2  HIS   6           HB3      HIS   6   2.645  -0.094   0.723
   43    HB3  HIS   6           HB2      HIS   6   1.779  -0.115   2.256
   44    HD1  HIS   6           HD1      HIS   6   0.358   2.371   2.555
   45    HD2  HIS   6           HD2      HIS   6   1.129   0.843  -1.228
   46    HE1  HIS   6           HE1      HIS   6  -1.309   3.460   0.996
   47    H    HIS   7           H        HIS   7   5.071   0.142   0.801
   48    HA   HIS   7           HA       HIS   7   5.997  -1.536   2.989
   49    HB2  HIS   7           HB3      HIS   7   6.728  -1.520   0.054
   50    HB3  HIS   7           HB2      HIS   7   7.273  -2.711   1.232
   51    HD1  HIS   7           HD1      HIS   7   5.676  -4.630   1.763
   52    HD2  HIS   7           HD2      HIS   7   3.943  -1.651  -0.563
   53    HE1  HIS   7           HE1      HIS   7   3.449  -5.537   0.982
   54    H    SER   8           H        SER   8   8.226  -1.756   3.513
   55    HA   SER   8           HA       SER   8   9.947   0.492   2.740
   56    HB2  SER   8           HB3      SER   8  10.603   0.912   5.021
   57    HB3  SER   8           HB2      SER   8   8.842   0.965   4.949
   58    HG   SER   8           HG       SER   8   8.842  -0.555   6.382
   59    H    GLY   9           H        GLY   9  12.239   0.107   3.178
   60    HA2  GLY   9           HA3      GLY   9  14.133  -1.188   3.079
   61    HA3  GLY   9           HA2      GLY   9  13.258  -2.372   4.037
   62    H    TYR  10           H        TYR  10  13.809  -4.227   3.016
   63    HA   TYR  10           HA       TYR  10  13.478  -4.380   0.110
   64    HB2  TYR  10           HB3      TYR  10  14.719  -6.344   2.048
   65    HB3  TYR  10           HB2      TYR  10  14.653  -6.546   0.301
   66    HD1  TYR  10           HD1      TYR  10  16.240  -4.746   3.064
   67    HD2  TYR  10           HD2      TYR  10  16.083  -5.232  -1.160
   68    HE1  TYR  10           HE1      TYR  10  18.364  -3.525   2.851
   69    HE2  TYR  10           HE2      TYR  10  18.207  -4.012  -1.385
   70    HH   TYR  10           HH       TYR  10  19.603  -2.261   1.195
   71    HN1  NH2  11           HN1      NH2  11  11.726  -5.388  -0.827
   72    HN2  NH2  11           HN2      NH2  11  10.607  -6.419   0.036
   73    H1   ASP   1           H1       ASP   1   1.652  -6.565   0.441
   74    H2   ASP   1           H2       ASP   1   0.788  -7.984   0.012
   75    H3   ASP   1           H3       ASP   1   0.883  -7.498   1.656
   76    HA   ASP   1           HA       ASP   1  -1.241  -7.046   0.461
   77    HB2  ASP   1           HB3      ASP   1   0.376  -4.895   1.841
   78    HB3  ASP   1           HB2      ASP   1  -1.351  -4.750   1.520
   79    H    ALA   2           H        ALA   2  -2.345  -5.584  -0.909
   80    HA   ALA   2           HA       ALA   2  -0.612  -4.261  -2.896
   81    HB1  ALA   2           HB1      ALA   2  -1.629  -5.438  -4.482
   82    HB2  ALA   2           HB2      ALA   2  -3.185  -4.762  -3.998
   83    HB3  ALA   2           HB3      ALA   2  -2.604  -6.253  -3.258
   84    H    GLU   3           H        GLU   3  -1.904  -2.528  -4.150
   85    HA   GLU   3           HA       GLU   3  -2.476  -0.407  -2.504
   86    HB2  GLU   3           HB3      GLU   3  -2.128  -0.485  -5.062
   87    HB3  GLU   3           HB2      GLU   3  -3.867  -0.727  -5.150
   88    HG2  GLU   3           HG3      GLU   3  -3.533   1.571  -5.442
   89    HG3  GLU   3           HG2      GLU   3  -4.095   1.386  -3.780
   90    H    PHE   4           H        PHE   4  -4.660  -2.898  -3.669
   91    HA   PHE   4           HA       PHE   4  -7.046  -1.642  -2.754
   92    HB2  PHE   4           HB3      PHE   4  -8.113  -3.807  -3.166
   93    HB3  PHE   4           HB2      PHE   4  -7.077  -3.355  -4.515
   94    HD1  PHE   4           HD1      PHE   4  -7.158  -5.421  -1.432
   95    HD2  PHE   4           HD2      PHE   4  -5.438  -4.814  -5.277
   96    HE1  PHE   4           HE1      PHE   4  -5.993  -7.581  -1.248
   97    HE2  PHE   4           HE2      PHE   4  -4.270  -6.971  -5.099
   98    HZ   PHE   4           HZ       PHE   4  -4.547  -8.358  -3.083
   99    H    ARG   5           H        ARG   5  -4.683  -3.782  -1.327
  100    HA   ARG   5           HA       ARG   5  -6.264  -4.442   0.967
  101    HB2  ARG   5           HB3      ARG   5  -4.379  -5.840   0.057
  102    HB3  ARG   5           HB2      ARG   5  -3.265  -4.627   0.673
  103    HG2  ARG   5           HG3      ARG   5  -3.217  -6.052   2.423
  104    HG3  ARG   5           HG2      ARG   5  -4.612  -5.092   2.914
  105    HD2  ARG   5           HD3      ARG   5  -6.038  -6.803   2.630
  106    HD3  ARG   5           HD2      ARG   5  -5.258  -7.329   1.140
  107    HE   ARG   5           HE       ARG   5  -4.762  -8.306   3.800
  108   HH11  ARG   5          HH11      ARG   5  -3.455  -7.959   0.583
  109   HH12  ARG   5          HH12      ARG   5  -2.353  -9.283   0.753
  110   HH21  ARG   5          HH21      ARG   5  -3.311 -10.047   4.026
  111   HH22  ARG   5          HH22      ARG   5  -2.270 -10.468   2.706
  112    H    HIS   6           H        HIS   6  -3.684  -2.144   0.250
  113    HA   HIS   6           HA       HIS   6  -3.481  -1.103   2.894
  114    HB2  HIS   6           HB3      HIS   6  -2.752   0.296   0.317
  115    HB3  HIS   6           HB2      HIS   6  -2.116   0.631   1.925
  116    HD1  HIS   6           HD1      HIS   6  -0.694  -1.536   2.966
  117    HD2  HIS   6           HD2      HIS   6  -1.227  -1.312  -1.146
  118    HE1  HIS   6           HE1      HIS   6   1.062  -3.045   1.938
  119    H    HIS   7           H        HIS   7  -5.234  -0.142  -0.006
  120    HA   HIS   7           HA       HIS   7  -6.466   2.101   1.379
  121    HB2  HIS   7           HB3      HIS   7  -6.712   1.140  -1.478
  122    HB3  HIS   7           HB2      HIS   7  -7.477   2.589  -0.836
  123    HD1  HIS   7           HD1      HIS   7  -6.161   4.681  -1.189
  124    HD2  HIS   7           HD2      HIS   7  -3.747   1.296  -1.171
  125    HE1  HIS   7           HE1      HIS   7  -3.817   5.474  -1.712
  126    H    SER   8           H        SER   8  -8.781   2.367   1.426
  127    HA   SER   8           HA       SER   8 -10.138  -0.181   1.882
  128    HB2  SER   8           HB3      SER   8 -10.117   1.687   3.615
  129    HB3  SER   8           HB2      SER   8 -11.196   2.571   2.536
  130    HG   SER   8           HG       SER   8 -12.752   1.066   2.841
  131    H    GLY   9           H        GLY   9 -11.494  -0.993   0.435
  132    HA2  GLY   9           HA3      GLY   9 -13.349   0.629  -1.016
  133    HA3  GLY   9           HA2      GLY   9 -12.043   0.059  -2.046
  134    H    TYR  10           H        TYR  10 -14.994  -0.723  -0.511
  135    HA   TYR  10           HA       TYR  10 -14.749  -3.577  -0.767
  136    HB2  TYR  10           HB3      TYR  10 -17.118  -3.619  -0.116
  137    HB3  TYR  10           HB2      TYR  10 -16.178  -2.597   0.967
  138    HD1  TYR  10           HD1      TYR  10 -16.493  -0.186   0.986
  139    HD2  TYR  10           HD2      TYR  10 -18.762  -2.660  -1.627
  140    HE1  TYR  10           HE1      TYR  10 -18.046   1.677   0.582
  141    HE2  TYR  10           HE2      TYR  10 -20.321  -0.805  -2.039
  142    HH   TYR  10           HH       TYR  10 -19.859   2.087  -1.750
  143    HN1  NH2  11           HN1      NH2  11 -16.116  -0.923  -2.728
  144    HN2  NH2  11           HN2      NH2  11 -16.562  -1.929  -4.088
  Start of MODEL    9
    1    H1   ASP   1           H1       ASP   1  -1.464   6.661  -0.811
    2    H2   ASP   1           H2       ASP   1  -0.775   7.316  -2.240
    3    H3   ASP   1           H3       ASP   1  -0.489   8.070  -0.725
    4    HA   ASP   1           HA       ASP   1   1.432   6.936  -1.163
    5    HB2  ASP   1           HB3      ASP   1  -0.357   5.196   0.556
    6    HB3  ASP   1           HB2      ASP   1   1.405   5.141   0.551
    7    H    ALA   2           H        ALA   2   2.581   5.097  -1.927
    8    HA   ALA   2           HA       ALA   2   0.972   3.298  -3.625
    9    HB1  ALA   2           HB1      ALA   2   3.729   4.386  -4.173
   10    HB2  ALA   2           HB2      ALA   2   2.238   4.883  -4.972
   11    HB3  ALA   2           HB3      ALA   2   2.853   3.245  -5.190
   12    H    GLU   3           H        GLU   3   2.600   1.414  -4.352
   13    HA   GLU   3           HA       GLU   3   2.855  -0.287  -2.181
   14    HB2  GLU   3           HB3      GLU   3   2.873  -0.796  -4.717
   15    HB3  GLU   3           HB2      GLU   3   4.609  -0.550  -4.607
   16    HG2  GLU   3           HG3      GLU   3   4.258  -2.866  -4.420
   17    HG3  GLU   3           HG2      GLU   3   4.625  -2.295  -2.793
   18    H    PHE   4           H        PHE   4   5.128   2.050  -3.445
   19    HA   PHE   4           HA       PHE   4   7.348   1.022  -1.936
   20    HB2  PHE   4           HB3      PHE   4   8.594   2.894  -2.768
   21    HB3  PHE   4           HB2      PHE   4   7.605   2.284  -4.087
   22    HD1  PHE   4           HD1      PHE   4   7.893   4.969  -1.569
   23    HD2  PHE   4           HD2      PHE   4   6.016   3.658  -5.156
   24    HE1  PHE   4           HE1      PHE   4   6.981   7.227  -1.913
   25    HE2  PHE   4           HE2      PHE   4   5.102   5.915  -5.507
   26    HZ   PHE   4           HZ       PHE   4   5.585   7.704  -3.884
   27    H    ARG   5           H        ARG   5   4.790   3.307  -1.416
   28    HA   ARG   5           HA       ARG   5   6.054   4.545   0.866
   29    HB2  ARG   5           HB3      ARG   5   4.513   5.806  -0.592
   30    HB3  ARG   5           HB2      ARG   5   3.203   4.732  -0.117
   31    HG2  ARG   5           HG3      ARG   5   2.819   5.871   1.748
   32    HG3  ARG   5           HG2      ARG   5   4.529   5.883   2.182
   33    HD2  ARG   5           HD3      ARG   5   3.647   7.663  -0.021
   34    HD3  ARG   5           HD2      ARG   5   3.190   8.110   1.621
   35    HE   ARG   5           HE       ARG   5   5.653   7.924   2.121
   36   HH11  ARG   5          HH11      ARG   5   4.486   8.764  -1.070
   37   HH12  ARG   5          HH12      ARG   5   5.931   9.611  -1.502
   38   HH21  ARG   5          HH21      ARG   5   7.542   9.039   1.542
   39   HH22  ARG   5          HH22      ARG   5   7.663   9.768  -0.025
   40    H    HIS   6           H        HIS   6   3.527   2.150   0.282
   41    HA   HIS   6           HA       HIS   6   2.743   1.869   2.998
   42    HB2  HIS   6           HB3      HIS   6   2.506  -0.155   0.764
   43    HB3  HIS   6           HB2      HIS   6   1.599  -0.157   2.273
   44    HD1  HIS   6           HD1      HIS   6   0.169   2.301   2.541
   45    HD2  HIS   6           HD2      HIS   6   1.100   0.857  -1.240
   46    HE1  HIS   6           HE1      HIS   6  -1.420   3.442   0.937
   47    H    HIS   7           H        HIS   7   5.067   0.214   0.947
   48    HA   HIS   7           HA       HIS   7   5.875  -1.512   3.158
   49    HB2  HIS   7           HB3      HIS   7   6.760  -1.456   0.266
   50    HB3  HIS   7           HB2      HIS   7   7.261  -2.650   1.460
   51    HD1  HIS   7           HD1      HIS   7   5.727  -4.642   1.791
   52    HD2  HIS   7           HD2      HIS   7   3.954  -1.587  -0.404
   53    HE1  HIS   7           HE1      HIS   7   3.547  -5.569   0.904
   54    H    SER   8           H        SER   8   7.429  -0.873   4.484
   55    HA   SER   8           HA       SER   8   9.443   1.030   3.490
   56    HB2  SER   8           HB3      SER   8   8.420   0.576   6.302
   57    HB3  SER   8           HB2      SER   8   9.750   1.658   5.889
   58    HG   SER   8           HG       SER   8   7.739   2.756   6.044
   59    H    GLY   9           H        GLY   9  11.622   0.718   4.009
   60    HA2  GLY   9           HA3      GLY   9  13.277  -0.573   5.309
   61    HA3  GLY   9           HA2      GLY   9  12.275  -1.986   5.010
   62    H    TYR  10           H        TYR  10  13.173   0.543   2.709
   63    HA   TYR  10           HA       TYR  10  14.244   0.462   0.705
   64    HB2  TYR  10           HB3      TYR  10  15.819  -1.681   2.145
   65    HB3  TYR  10           HB2      TYR  10  16.272  -1.000   0.586
   66    HD1  TYR  10           HD1      TYR  10  15.310   0.229   3.988
   67    HD2  TYR  10           HD2      TYR  10  17.873   0.654   0.618
   68    HE1  TYR  10           HE1      TYR  10  16.511   2.042   5.136
   69    HE2  TYR  10           HE2      TYR  10  19.082   2.466   1.758
   70    HH   TYR  10           HH       TYR  10  18.469   4.186   3.644
   71    HN1  NH2  11           HN1      NH2  11  14.645  -3.051   1.374
   72    HN2  NH2  11           HN2      NH2  11  13.614  -3.580   0.063
   73    H1   ASP   1           H1       ASP   1   1.269  -7.686  -0.169
   74    H2   ASP   1           H2       ASP   1   0.821  -7.839   1.481
   75    H3   ASP   1           H3       ASP   1   1.601  -6.413   0.929
   76    HA   ASP   1           HA       ASP   1  -1.076  -7.371   0.172
   77    HB2  ASP   1           HB3      ASP   1  -0.013  -5.255   2.024
   78    HB3  ASP   1           HB2      ASP   1  -1.612  -5.097   1.307
   79    H    ALA   2           H        ALA   2  -2.274  -5.770  -1.085
   80    HA   ALA   2           HA       ALA   2  -0.501  -4.283  -2.908
   81    HB1  ALA   2           HB1      ALA   2  -3.127  -4.712  -3.991
   82    HB2  ALA   2           HB2      ALA   2  -2.426  -6.242  -3.460
   83    HB3  ALA   2           HB3      ALA   2  -1.560  -5.228  -4.615
   84    H    GLU   3           H        GLU   3  -1.934  -2.564  -4.149
   85    HA   GLU   3           HA       GLU   3  -2.389  -0.450  -2.435
   86    HB2  GLU   3           HB3      GLU   3  -2.107  -0.430  -4.974
   87    HB3  GLU   3           HB2      GLU   3  -3.829  -0.767  -5.062
   88    HG2  GLU   3           HG3      GLU   3  -3.711   1.534  -5.293
   89    HG3  GLU   3           HG2      GLU   3  -4.110   1.315  -3.591
   90    H    PHE   4           H        PHE   4  -4.669  -2.878  -3.587
   91    HA   PHE   4           HA       PHE   4  -6.981  -1.590  -2.548
   92    HB2  PHE   4           HB3      PHE   4  -8.149  -3.660  -3.004
   93    HB3  PHE   4           HB2      PHE   4  -7.072  -3.295  -4.346
   94    HD1  PHE   4           HD1      PHE   4  -7.737  -5.537  -1.543
   95    HD2  PHE   4           HD2      PHE   4  -5.137  -4.667  -4.795
   96    HE1  PHE   4           HE1      PHE   4  -6.745  -7.780  -1.344
   97    HE2  PHE   4           HE2      PHE   4  -4.138  -6.907  -4.602
   98    HZ   PHE   4           HZ       PHE   4  -4.944  -8.468  -2.875
   99    H    ARG   5           H        ARG   5  -4.583  -3.744  -1.224
  100    HA   ARG   5           HA       ARG   5  -6.074  -4.459   1.115
  101    HB2  ARG   5           HB3      ARG   5  -3.122  -4.562   0.495
  102    HB3  ARG   5           HB2      ARG   5  -3.823  -5.175   1.984
  103    HG2  ARG   5           HG3      ARG   5  -4.551  -6.151  -0.763
  104    HG3  ARG   5           HG2      ARG   5  -3.353  -6.911   0.282
  105    HD2  ARG   5           HD3      ARG   5  -5.156  -7.133   2.018
  106    HD3  ARG   5           HD2      ARG   5  -6.308  -6.611   0.788
  107    HE   ARG   5           HE       ARG   5  -4.814  -8.763  -0.217
  108   HH11  ARG   5          HH11      ARG   5  -7.243  -8.099   2.198
  109   HH12  ARG   5          HH12      ARG   5  -7.923  -9.691   2.131
  110   HH21  ARG   5          HH21      ARG   5  -5.705 -10.857  -0.305
  111   HH22  ARG   5          HH22      ARG   5  -7.050 -11.256   0.711
  112    H    HIS   6           H        HIS   6  -3.566  -2.109   0.342
  113    HA   HIS   6           HA       HIS   6  -3.382  -1.012   2.965
  114    HB2  HIS   6           HB3      HIS   6  -2.638   0.370   0.390
  115    HB3  HIS   6           HB2      HIS   6  -1.967   0.651   1.992
  116    HD1  HIS   6           HD1      HIS   6  -0.737  -1.744   2.958
  117    HD2  HIS   6           HD2      HIS   6  -1.034  -1.091  -1.133
  118    HE1  HIS   6           HE1      HIS   6   1.001  -3.232   1.869
  119    H    HIS   7           H        HIS   7  -5.143  -0.131   0.043
  120    HA   HIS   7           HA       HIS   7  -6.339   2.173   1.355
  121    HB2  HIS   7           HB3      HIS   7  -6.608   1.082  -1.451
  122    HB3  HIS   7           HB2      HIS   7  -7.431   2.524  -0.870
  123    HD1  HIS   7           HD1      HIS   7  -6.201   4.659  -1.287
  124    HD2  HIS   7           HD2      HIS   7  -3.661   1.371  -1.203
  125    HE1  HIS   7           HE1      HIS   7  -3.899   5.522  -1.875
  126    H    SER   8           H        SER   8  -8.457   2.357   1.932
  127    HA   SER   8           HA       SER   8  -9.999  -0.143   1.964
  128    HB2  SER   8           HB3      SER   8  -9.554   0.799   4.172
  129    HB3  SER   8           HB2      SER   8 -10.261   2.339   3.680
  130    HG   SER   8           HG       SER   8 -12.257   1.312   3.482
  131    H    GLY   9           H        GLY   9 -11.630  -0.328   0.585
  132    HA2  GLY   9           HA3      GLY   9 -13.013   2.138  -0.277
  133    HA3  GLY   9           HA2      GLY   9 -12.627   0.841  -1.398
  134    H    TYR  10           H        TYR  10 -13.590  -0.094   1.769
  135    HA   TYR  10           HA       TYR  10 -15.991  -1.301   0.694
  136    HB2  TYR  10           HB3      TYR  10 -14.822  -1.381   3.485
  137    HB3  TYR  10           HB2      TYR  10 -16.188  -2.340   2.928
  138    HD1  TYR  10           HD1      TYR  10 -12.568  -1.969   2.908
  139    HD2  TYR  10           HD2      TYR  10 -15.843  -4.166   1.312
  140    HE1  TYR  10           HE1      TYR  10 -11.016  -3.723   2.153
  141    HE2  TYR  10           HE2      TYR  10 -14.302  -5.925   0.552
  142    HH   TYR  10           HH       TYR  10 -11.555  -6.541   1.595
  143    HN1  NH2  11           HN1      NH2  11 -15.492   0.547   3.778
  144    HN2  NH2  11           HN2      NH2  11 -16.987   1.446   3.649
  Start of MODEL   10
    1    H1   ASP   1           H1       ASP   1  -0.872   7.735  -0.406
    2    H2   ASP   1           H2       ASP   1  -1.590   6.391  -1.196
    3    H3   ASP   1           H3       ASP   1  -0.799   7.606  -2.114
    4    HA   ASP   1           HA       ASP   1   1.278   7.007  -1.335
    5    HB2  ASP   1           HB3      ASP   1  -0.292   5.330   0.628
    6    HB3  ASP   1           HB2      ASP   1   1.441   5.137   0.381
    7    H    ALA   2           H        ALA   2   2.493   5.067  -1.931
    8    HA   ALA   2           HA       ALA   2   0.900   3.198  -3.564
    9    HB1  ALA   2           HB1      ALA   2   2.458   5.027  -4.684
   10    HB2  ALA   2           HB2      ALA   2   2.297   3.401  -5.351
   11    HB3  ALA   2           HB3      ALA   2   3.693   3.811  -4.354
   12    H    GLU   3           H        GLU   3   2.508   1.300  -4.233
   13    HA   GLU   3           HA       GLU   3   2.876  -0.279  -1.992
   14    HB2  GLU   3           HB3      GLU   3   2.812  -0.931  -4.485
   15    HB3  GLU   3           HB2      GLU   3   4.544  -0.624  -4.471
   16    HG2  GLU   3           HG3      GLU   3   4.448  -2.888  -4.091
   17    HG3  GLU   3           HG2      GLU   3   4.563  -2.246  -2.453
   18    H    PHE   4           H        PHE   4   5.155   1.881  -3.584
   19    HA   PHE   4           HA       PHE   4   7.432   1.023  -2.115
   20    HB2  PHE   4           HB3      PHE   4   8.540   2.988  -3.008
   21    HB3  PHE   4           HB2      PHE   4   7.592   2.221  -4.275
   22    HD1  PHE   4           HD1      PHE   4   7.561   5.014  -1.838
   23    HD2  PHE   4           HD2      PHE   4   5.983   3.426  -5.456
   24    HE1  PHE   4           HE1      PHE   4   6.441   7.158  -2.286
   25    HE2  PHE   4           HE2      PHE   4   4.859   5.567  -5.912
   26    HZ   PHE   4           HZ       PHE   4   5.089   7.437  -4.325
   27    H    ARG   5           H        ARG   5   4.889   3.333  -1.524
   28    HA   ARG   5           HA       ARG   5   6.262   4.550   0.706
   29    HB2  ARG   5           HB3      ARG   5   4.672   5.781  -0.812
   30    HB3  ARG   5           HB2      ARG   5   3.365   4.860  -0.078
   31    HG2  ARG   5           HG3      ARG   5   3.327   6.835   1.109
   32    HG3  ARG   5           HG2      ARG   5   4.282   5.780   2.153
   33    HD2  ARG   5           HD3      ARG   5   5.738   7.496   2.155
   34    HD3  ARG   5           HD2      ARG   5   6.219   6.847   0.588
   35    HE   ARG   5           HE       ARG   5   5.193   8.633  -0.452
   36   HH11  ARG   5          HH11      ARG   5   4.430   8.652   2.957
   37   HH12  ARG   5          HH12      ARG   5   3.767  10.250   2.924
   38   HH21  ARG   5          HH21      ARG   5   4.317  10.732  -0.491
   39   HH22  ARG   5          HH22      ARG   5   3.701  11.430   0.968
   40    H    HIS   6           H        HIS   6   3.672   2.208   0.200
   41    HA   HIS   6           HA       HIS   6   2.905   2.008   2.931
   42    HB2  HIS   6           HB3      HIS   6   2.608  -0.054   0.736
   43    HB3  HIS   6           HB2      HIS   6   1.737  -0.036   2.264
   44    HD1  HIS   6           HD1      HIS   6   0.411   2.532   2.509
   45    HD2  HIS   6           HD2      HIS   6   1.066   0.831  -1.221
   46    HE1  HIS   6           HE1      HIS   6  -1.250   3.611   0.937
   47    H    HIS   7           H        HIS   7   5.059   0.121   0.870
   48    HA   HIS   7           HA       HIS   7   5.871  -1.558   3.089
   49    HB2  HIS   7           HB3      HIS   7   6.790  -1.497   0.208
   50    HB3  HIS   7           HB2      HIS   7   7.255  -2.709   1.398
   51    HD1  HIS   7           HD1      HIS   7   5.705  -4.689   1.658
   52    HD2  HIS   7           HD2      HIS   7   3.963  -1.555  -0.447
   53    HE1  HIS   7           HE1      HIS   7   3.510  -5.564   0.756
   54    H    SER   8           H        SER   8   7.832  -1.538   4.088
   55    HA   SER   8           HA       SER   8   9.639   0.687   3.398
   56    HB2  SER   8           HB3      SER   8   8.580   1.188   5.501
   57    HB3  SER   8           HB2      SER   8   8.920  -0.429   6.116
   58    HG   SER   8           HG       SER   8  11.022   0.077   6.337
   59    H    GLY   9           H        GLY   9  11.700   0.193   2.979
   60    HA2  GLY   9           HA3      GLY   9  13.696  -0.970   2.965
   61    HA3  GLY   9           HA2      GLY   9  13.020  -2.064   4.161
   62    H    TYR  10           H        TYR  10  14.585  -3.140   2.267
   63    HA   TYR  10           HA       TYR  10  12.723  -4.855   0.861
   64    HB2  TYR  10           HB3      TYR  10  14.233  -4.547  -1.265
   65    HB3  TYR  10           HB2      TYR  10  12.908  -3.433  -0.953
   66    HD1  TYR  10           HD1      TYR  10  16.332  -3.580   0.524
   67    HD2  TYR  10           HD2      TYR  10  13.556  -1.391  -1.842
   68    HE1  TYR  10           HE1      TYR  10  17.907  -1.693   0.434
   69    HE2  TYR  10           HE2      TYR  10  15.123   0.503  -1.939
   70    HH   TYR  10           HH       TYR  10  17.000   1.402  -0.793
   71    HN1  NH2  11           HN1      NH2  11  14.397  -6.380  -0.705
   72    HN2  NH2  11           HN2      NH2  11  15.663  -7.082   0.276
   73    H1   ASP   1           H1       ASP   1   1.339  -6.508   1.408
   74    H2   ASP   1           H2       ASP   1   1.269  -7.475  -0.009
   75    H3   ASP   1           H3       ASP   1   0.588  -8.047   1.459
   76    HA   ASP   1           HA       ASP   1  -1.217  -7.376   0.283
   77    HB2  ASP   1           HB3      ASP   1  -0.237  -5.144   2.069
   78    HB3  ASP   1           HB2      ASP   1  -1.865  -5.192   1.406
   79    H    ALA   2           H        ALA   2  -2.350  -5.708  -0.996
   80    HA   ALA   2           HA       ALA   2  -0.470  -4.248  -2.740
   81    HB1  ALA   2           HB1      ALA   2  -1.924  -6.286  -3.587
   82    HB2  ALA   2           HB2      ALA   2  -1.625  -4.875  -4.604
   83    HB3  ALA   2           HB3      ALA   2  -3.154  -5.032  -3.739
   84    H    GLU   3           H        GLU   3  -1.899  -2.594  -4.110
   85    HA   GLU   3           HA       GLU   3  -2.460  -0.447  -2.480
   86    HB2  GLU   3           HB3      GLU   3  -2.112  -0.526  -5.020
   87    HB3  GLU   3           HB2      GLU   3  -3.839  -0.848  -5.124
   88    HG2  GLU   3           HG3      GLU   3  -3.640   1.452  -5.438
   89    HG3  GLU   3           HG2      GLU   3  -4.157   1.273  -3.761
   90    H    PHE   4           H        PHE   4  -4.688  -2.924  -3.659
   91    HA   PHE   4           HA       PHE   4  -7.028  -1.632  -2.689
   92    HB2  PHE   4           HB3      PHE   4  -8.194  -3.679  -3.189
   93    HB3  PHE   4           HB2      PHE   4  -7.042  -3.364  -4.482
   94    HD1  PHE   4           HD1      PHE   4  -7.897  -5.538  -1.674
   95    HD2  PHE   4           HD2      PHE   4  -5.119  -4.786  -4.807
   96    HE1  PHE   4           HE1      PHE   4  -6.968  -7.799  -1.389
   97    HE2  PHE   4           HE2      PHE   4  -4.184  -7.044  -4.527
   98    HZ   PHE   4           HZ       PHE   4  -5.109  -8.555  -2.817
   99    H    ARG   5           H        ARG   5  -4.659  -3.749  -1.284
  100    HA   ARG   5           HA       ARG   5  -6.212  -4.429   1.033
  101    HB2  ARG   5           HB3      ARG   5  -3.270  -4.637   0.405
  102    HB3  ARG   5           HB2      ARG   5  -3.967  -5.181   1.925
  103    HG2  ARG   5           HG3      ARG   5  -4.728  -6.215  -0.789
  104    HG3  ARG   5           HG2      ARG   5  -3.598  -6.997   0.312
  105    HD2  ARG   5           HD3      ARG   5  -6.456  -6.365   1.025
  106    HD3  ARG   5           HD2      ARG   5  -5.939  -7.912   0.361
  107    HE   ARG   5           HE       ARG   5  -5.446  -6.901   3.035
  108   HH11  ARG   5          HH11      ARG   5  -4.669  -9.309   0.627
  109   HH12  ARG   5          HH12      ARG   5  -4.030 -10.431   1.779
  110   HH21  ARG   5          HH21      ARG   5  -4.599  -8.376   4.546
  111   HH22  ARG   5          HH22      ARG   5  -3.989  -9.903   4.002
  112    H    HIS   6           H        HIS   6  -3.637  -2.147   0.268
  113    HA   HIS   6           HA       HIS   6  -3.400  -1.061   2.880
  114    HB2  HIS   6           HB3      HIS   6  -2.721   0.329   0.288
  115    HB3  HIS   6           HB2      HIS   6  -2.034   0.639   1.878
  116    HD1  HIS   6           HD1      HIS   6  -0.822  -1.802   2.848
  117    HD2  HIS   6           HD2      HIS   6  -1.039  -1.037  -1.229
  118    HE1  HIS   6           HE1      HIS   6   0.956  -3.241   1.756
  119    H    HIS   7           H        HIS   7  -5.250  -0.166   0.024
  120    HA   HIS   7           HA       HIS   7  -6.445   2.094   1.439
  121    HB2  HIS   7           HB3      HIS   7  -6.701   1.173  -1.432
  122    HB3  HIS   7           HB2      HIS   7  -7.482   2.603  -0.766
  123    HD1  HIS   7           HD1      HIS   7  -6.169   4.727  -0.976
  124    HD2  HIS   7           HD2      HIS   7  -3.761   1.351  -1.244
  125    HE1  HIS   7           HE1      HIS   7  -3.843   5.553  -1.526
  126    H    SER   8           H        SER   8  -8.378   1.990   2.373
  127    HA   SER   8           HA       SER   8  -9.885  -0.462   2.288
  128    HB2  SER   8           HB3      SER   8  -9.554   0.954   4.360
  129    HB3  SER   8           HB2      SER   8 -10.672   2.119   3.650
  130    HG   SER   8           HG       SER   8 -12.250   0.470   3.621
  131    H    GLY   9           H        GLY   9 -11.857  -0.827   1.366
  132    HA2  GLY   9           HA3      GLY   9 -12.602   0.925  -0.801
  133    HA3  GLY   9           HA2      GLY   9 -13.350  -0.613  -0.397
  134    H    TYR  10           H        TYR  10 -15.231   0.873  -1.050
  135    HA   TYR  10           HA       TYR  10 -16.115   2.849   0.787
  136    HB2  TYR  10           HB3      TYR  10 -17.685   1.262  -1.257
  137    HB3  TYR  10           HB2      TYR  10 -18.265   2.699  -0.422
  138    HD1  TYR  10           HD1      TYR  10 -16.026   1.429  -3.024
  139    HD2  TYR  10           HD2      TYR  10 -17.415   4.905  -1.000
  140    HE1  TYR  10           HE1      TYR  10 -15.049   2.838  -4.786
  141    HE2  TYR  10           HE2      TYR  10 -16.442   6.323  -2.756
  142    HH   TYR  10           HH       TYR  10 -14.322   5.848  -4.544
  143    HN1  NH2  11           HN1      NH2  11 -18.829   2.212   1.312
  144    HN2  NH2  11           HN2      NH2  11 -18.873   0.899   2.467
  Start of MODEL   11
    1    H1   ASP   1           H1       ASP   1  -0.638   7.410  -2.028
    2    H2   ASP   1           H2       ASP   1  -0.317   8.114  -0.496
    3    H3   ASP   1           H3       ASP   1  -1.383   6.775  -0.620
    4    HA   ASP   1           HA       ASP   1   1.528   6.863  -0.929
    5    HB2  ASP   1           HB3      ASP   1  -0.388   5.175   0.699
    6    HB3  ASP   1           HB2      ASP   1   1.370   5.046   0.737
    7    H    ALA   2           H        ALA   2   2.579   5.075  -1.836
    8    HA   ALA   2           HA       ALA   2   0.878   3.344  -3.514
    9    HB1  ALA   2           HB1      ALA   2   3.557   3.575  -4.531
   10    HB2  ALA   2           HB2      ALA   2   2.829   5.171  -4.342
   11    HB3  ALA   2           HB3      ALA   2   2.024   3.944  -5.320
   12    H    GLU   3           H        GLU   3   2.336   1.402  -4.316
   13    HA   GLU   3           HA       GLU   3   2.715  -0.314  -2.189
   14    HB2  GLU   3           HB3      GLU   3   2.520  -0.912  -4.635
   15    HB3  GLU   3           HB2      GLU   3   4.222  -0.503  -4.797
   16    HG2  GLU   3           HG3      GLU   3   4.219  -2.808  -4.539
   17    HG3  GLU   3           HG2      GLU   3   4.616  -2.203  -2.931
   18    H    PHE   4           H        PHE   4   4.912   2.044  -3.503
   19    HA   PHE   4           HA       PHE   4   7.211   0.954  -2.132
   20    HB2  PHE   4           HB3      PHE   4   8.413   2.886  -3.005
   21    HB3  PHE   4           HB2      PHE   4   7.470   2.133  -4.286
   22    HD1  PHE   4           HD1      PHE   4   7.634   5.007  -1.986
   23    HD2  PHE   4           HD2      PHE   4   5.761   3.316  -5.411
   24    HE1  PHE   4           HE1      PHE   4   6.584   7.177  -2.476
   25    HE2  PHE   4           HE2      PHE   4   4.707   5.482  -5.910
   26    HZ   PHE   4           HZ       PHE   4   5.117   7.417  -4.441
   27    H    ARG   5           H        ARG   5   4.705   3.265  -1.507
   28    HA   ARG   5           HA       ARG   5   6.108   4.554   0.661
   29    HB2  ARG   5           HB3      ARG   5   4.409   5.699  -0.795
   30    HB3  ARG   5           HB2      ARG   5   3.174   4.717  -0.019
   31    HG2  ARG   5           HG3      ARG   5   2.990   6.298   1.516
   32    HG3  ARG   5           HG2      ARG   5   4.599   5.853   2.081
   33    HD2  ARG   5           HD3      ARG   5   4.756   7.548  -0.248
   34    HD3  ARG   5           HD2      ARG   5   3.792   8.307   1.016
   35    HE   ARG   5           HE       ARG   5   5.981   7.438   2.345
   36   HH11  ARG   5          HH11      ARG   5   5.537   9.377  -0.522
   37   HH12  ARG   5          HH12      ARG   5   6.988  10.293  -0.279
   38   HH21  ARG   5          HH21      ARG   5   7.889   8.642   2.666
   39   HH22  ARG   5          HH22      ARG   5   8.322   9.875   1.530
   40    H    HIS   6           H        HIS   6   3.551   2.148   0.293
   41    HA   HIS   6           HA       HIS   6   2.938   1.926   3.055
   42    HB2  HIS   6           HB3      HIS   6   2.588  -0.189   0.923
   43    HB3  HIS   6           HB2      HIS   6   1.725  -0.080   2.454
   44    HD1  HIS   6           HD1      HIS   6   0.260   2.321   2.628
   45    HD2  HIS   6           HD2      HIS   6   1.228   0.819  -1.122
   46    HE1  HIS   6           HE1      HIS   6  -1.333   3.415   0.995
   47    H    HIS   7           H        HIS   7   5.136   0.222   0.902
   48    HA   HIS   7           HA       HIS   7   6.109  -1.414   3.122
   49    HB2  HIS   7           HB3      HIS   7   6.791  -1.516   0.177
   50    HB3  HIS   7           HB2      HIS   7   7.326  -2.668   1.397
   51    HD1  HIS   7           HD1      HIS   7   5.720  -4.559   1.983
   52    HD2  HIS   7           HD2      HIS   7   3.992  -1.633  -0.411
   53    HE1  HIS   7           HE1      HIS   7   3.490  -5.480   1.225
   54    H    SER   8           H        SER   8   7.662  -0.541   4.325
   55    HA   SER   8           HA       SER   8   9.638   1.211   3.031
   56    HB2  SER   8           HB3      SER   8   8.550   1.084   5.828
   57    HB3  SER   8           HB2      SER   8  10.119   1.827   5.517
   58    HG   SER   8           HG       SER   8   7.651   2.820   5.089
   59    H    GLY   9           H        GLY   9   9.560  -1.826   3.273
   60    HA2  GLY   9           HA3      GLY   9  11.822  -2.416   4.982
   61    HA3  GLY   9           HA2      GLY   9  10.950  -3.558   3.971
   62    H    TYR  10           H        TYR  10  13.079  -4.380   3.424
   63    HA   TYR  10           HA       TYR  10  15.104  -2.938   2.191
   64    HB2  TYR  10           HB3      TYR  10  14.249  -5.800   2.118
   65    HB3  TYR  10           HB2      TYR  10  15.476  -5.257   0.979
   66    HD1  TYR  10           HD1      TYR  10  14.683  -5.239   4.624
   67    HD2  TYR  10           HD2      TYR  10  17.705  -5.221   1.629
   68    HE1  TYR  10           HE1      TYR  10  16.402  -5.489   6.365
   69    HE2  TYR  10           HE2      TYR  10  19.431  -5.471   3.361
   70    HH   TYR  10           HH       TYR  10  19.754  -5.108   5.708
   71    HN1  NH2  11           HN1      NH2  11  12.008  -4.030   0.871
   72    HN2  NH2  11           HN2      NH2  11  12.277  -3.431  -0.751
   73    H1   ASP   1           H1       ASP   1   0.334  -8.088   1.653
   74    H2   ASP   1           H2       ASP   1   1.180  -6.597   1.584
   75    H3   ASP   1           H3       ASP   1   1.062  -7.584   0.185
   76    HA   ASP   1           HA       ASP   1  -1.405  -7.321   0.418
   77    HB2  ASP   1           HB3      ASP   1  -0.330  -5.226   2.301
   78    HB3  ASP   1           HB2      ASP   1  -1.910  -5.068   1.542
   79    H    ALA   2           H        ALA   2  -2.374  -5.798  -1.021
   80    HA   ALA   2           HA       ALA   2  -0.400  -4.332  -2.644
   81    HB1  ALA   2           HB1      ALA   2  -1.304  -5.241  -4.458
   82    HB2  ALA   2           HB2      ALA   2  -2.927  -4.754  -3.965
   83    HB3  ALA   2           HB3      ALA   2  -2.251  -6.278  -3.391
   84    H    GLU   3           H        GLU   3  -1.800  -2.669  -4.089
   85    HA   GLU   3           HA       GLU   3  -2.337  -0.492  -2.463
   86    HB2  GLU   3           HB3      GLU   3  -1.857  -0.469  -4.937
   87    HB3  GLU   3           HB2      GLU   3  -3.535  -0.927  -5.198
   88    HG2  GLU   3           HG3      GLU   3  -3.565   1.365  -5.476
   89    HG3  GLU   3           HG2      GLU   3  -4.094   1.162  -3.807
   90    H    PHE   4           H        PHE   4  -4.546  -2.936  -3.720
   91    HA   PHE   4           HA       PHE   4  -6.914  -1.621  -2.853
   92    HB2  PHE   4           HB3      PHE   4  -8.048  -3.729  -3.315
   93    HB3  PHE   4           HB2      PHE   4  -6.941  -3.334  -4.624
   94    HD1  PHE   4           HD1      PHE   4  -7.671  -5.626  -1.888
   95    HD2  PHE   4           HD2      PHE   4  -4.923  -4.633  -4.982
   96    HE1  PHE   4           HE1      PHE   4  -6.630  -7.844  -1.668
   97    HE2  PHE   4           HE2      PHE   4  -3.875  -6.849  -4.769
   98    HZ   PHE   4           HZ       PHE   4  -4.729  -8.458  -3.110
   99    H    ARG   5           H        ARG   5  -4.613  -3.763  -1.358
  100    HA   ARG   5           HA       ARG   5  -6.243  -4.425   0.907
  101    HB2  ARG   5           HB3      ARG   5  -3.274  -4.615   0.406
  102    HB3  ARG   5           HB2      ARG   5  -4.039  -5.169   1.890
  103    HG2  ARG   5           HG3      ARG   5  -4.554  -6.207  -0.882
  104    HG3  ARG   5           HG2      ARG   5  -3.630  -7.013   0.383
  105    HD2  ARG   5           HD3      ARG   5  -5.940  -6.573   1.694
  106    HD3  ARG   5           HD2      ARG   5  -6.549  -6.739   0.046
  107    HE   ARG   5           HE       ARG   5  -4.931  -8.873   0.288
  108   HH11  ARG   5          HH11      ARG   5  -7.497  -7.632   2.303
  109   HH12  ARG   5          HH12      ARG   5  -7.937  -9.191   2.916
  110   HH21  ARG   5          HH21      ARG   5  -5.508 -10.922   1.096
  111   HH22  ARG   5          HH22      ARG   5  -6.808 -11.058   2.233
  112    H    HIS   6           H        HIS   6  -3.652  -2.130   0.230
  113    HA   HIS   6           HA       HIS   6  -3.497  -1.034   2.839
  114    HB2  HIS   6           HB3      HIS   6  -2.788   0.332   0.239
  115    HB3  HIS   6           HB2      HIS   6  -2.176   0.728   1.840
  116    HD1  HIS   6           HD1      HIS   6  -0.928  -1.654   2.941
  117    HD2  HIS   6           HD2      HIS   6  -0.968  -0.982  -1.157
  118    HE1  HIS   6           HE1      HIS   6   0.961  -3.040   1.971
  119    H    HIS   7           H        HIS   7  -5.307  -0.172  -0.050
  120    HA   HIS   7           HA       HIS   7  -6.618   2.017   1.394
  121    HB2  HIS   7           HB3      HIS   7  -6.703   1.275  -1.539
  122    HB3  HIS   7           HB2      HIS   7  -7.474   2.686  -0.821
  123    HD1  HIS   7           HD1      HIS   7  -6.081   4.775  -0.770
  124    HD2  HIS   7           HD2      HIS   7  -3.783   1.348  -1.275
  125    HE1  HIS   7           HE1      HIS   7  -3.712   5.559  -1.179
  126    H    SER   8           H        SER   8  -8.483   1.621   2.363
  127    HA   SER   8           HA       SER   8 -10.562   0.119   1.058
  128    HB2  SER   8           HB3      SER   8  -9.294  -1.715   2.073
  129    HB3  SER   8           HB2      SER   8  -9.377  -0.920   3.645
  130    HG   SER   8           HG       SER   8 -11.640  -1.740   2.142
  131    H    GLY   9           H        GLY   9 -12.615   0.400   2.030
  132    HA2  GLY   9           HA3      GLY   9 -13.009   1.725   4.500
  133    HA3  GLY   9           HA2      GLY   9 -13.079   2.890   3.186
  134    H    TYR  10           H        TYR  10 -15.269   2.540   4.758
  135    HA   TYR  10           HA       TYR  10 -17.120   1.135   2.949
  136    HB2  TYR  10           HB3      TYR  10 -18.529   0.644   4.950
  137    HB3  TYR  10           HB2      TYR  10 -16.970  -0.175   4.969
  138    HD1  TYR  10           HD1      TYR  10 -15.157   0.674   6.458
  139    HD2  TYR  10           HD2      TYR  10 -19.126   2.194   6.651
  140    HE1  TYR  10           HE1      TYR  10 -14.683   1.614   8.681
  141    HE2  TYR  10           HE2      TYR  10 -18.662   3.140   8.873
  142    HH   TYR  10           HH       TYR  10 -16.063   3.862  10.059
  143    HN1  NH2  11           HN1      NH2  11 -16.783   3.779   5.385
  144    HN2  NH2  11           HN2      NH2  11 -18.050   4.775   4.704
  Start of MODEL   12
    1    H1   ASP   1           H1       ASP   1  -1.589   6.341  -1.101
    2    H2   ASP   1           H2       ASP   1  -0.772   7.644  -1.863
    3    H3   ASP   1           H3       ASP   1  -0.930   7.610  -0.154
    4    HA   ASP   1           HA       ASP   1   1.273   6.984  -1.092
    5    HB2  ASP   1           HB3      ASP   1  -0.328   5.200   0.749
    6    HB3  ASP   1           HB2      ASP   1   1.413   5.035   0.535
    7    H    ALA   2           H        ALA   2   2.523   5.170  -1.856
    8    HA   ALA   2           HA       ALA   2   0.970   3.357  -3.590
    9    HB1  ALA   2           HB1      ALA   2   3.699   3.669  -4.456
   10    HB2  ALA   2           HB2      ALA   2   2.904   5.238  -4.331
   11    HB3  ALA   2           HB3      ALA   2   2.201   3.972  -5.337
   12    H    GLU   3           H        GLU   3   2.503   1.438  -4.276
   13    HA   GLU   3           HA       GLU   3   2.822  -0.221  -2.094
   14    HB2  GLU   3           HB3      GLU   3   2.799  -0.759  -4.627
   15    HB3  GLU   3           HB2      GLU   3   4.537  -0.521  -4.543
   16    HG2  GLU   3           HG3      GLU   3   4.191  -2.829  -4.323
   17    HG3  GLU   3           HG2      GLU   3   4.560  -2.244  -2.701
   18    H    PHE   4           H        PHE   4   5.165   1.937  -3.584
   19    HA   PHE   4           HA       PHE   4   7.406   1.016  -2.096
   20    HB2  PHE   4           HB3      PHE   4   8.521   3.045  -2.894
   21    HB3  PHE   4           HB2      PHE   4   7.654   2.253  -4.207
   22    HD1  PHE   4           HD1      PHE   4   7.418   5.025  -1.756
   23    HD2  PHE   4           HD2      PHE   4   6.060   3.413  -5.454
   24    HE1  PHE   4           HE1      PHE   4   6.232   7.127  -2.233
   25    HE2  PHE   4           HE2      PHE   4   4.874   5.514  -5.938
   26    HZ   PHE   4           HZ       PHE   4   4.959   7.374  -4.326
   27    H    ARG   5           H        ARG   5   4.911   3.402  -1.550
   28    HA   ARG   5           HA       ARG   5   6.202   4.618   0.702
   29    HB2  ARG   5           HB3      ARG   5   4.536   5.767  -0.778
   30    HB3  ARG   5           HB2      ARG   5   3.288   4.746  -0.078
   31    HG2  ARG   5           HG3      ARG   5   3.222   6.855   1.018
   32    HG3  ARG   5           HG2      ARG   5   3.874   5.673   2.154
   33    HD2  ARG   5           HD3      ARG   5   6.123   6.448   1.725
   34    HD3  ARG   5           HD2      ARG   5   5.537   7.552   0.481
   35    HE   ARG   5           HE       ARG   5   4.362   7.993   3.067
   36   HH11  ARG   5          HH11      ARG   5   7.072   8.726   0.994
   37   HH12  ARG   5          HH12      ARG   5   7.446  10.212   1.798
   38   HH21  ARG   5          HH21      ARG   5   4.853   9.949   4.126
   39   HH22  ARG   5          HH22      ARG   5   6.187  10.907   3.579
   40    H    HIS   6           H        HIS   6   3.699   2.178   0.226
   41    HA   HIS   6           HA       HIS   6   3.019   1.899   2.972
   42    HB2  HIS   6           HB3      HIS   6   2.727  -0.132   0.753
   43    HB3  HIS   6           HB2      HIS   6   1.870  -0.138   2.291
   44    HD1  HIS   6           HD1      HIS   6   0.450   2.344   2.582
   45    HD2  HIS   6           HD2      HIS   6   1.209   0.802  -1.199
   46    HE1  HIS   6           HE1      HIS   6  -1.223   3.430   1.024
   47    H    HIS   7           H        HIS   7   5.187   0.155   0.806
   48    HA   HIS   7           HA       HIS   7   6.168  -1.459   3.033
   49    HB2  HIS   7           HB3      HIS   7   6.809  -1.623   0.082
   50    HB3  HIS   7           HB2      HIS   7   7.313  -2.774   1.313
   51    HD1  HIS   7           HD1      HIS   7   5.645  -4.595   1.953
   52    HD2  HIS   7           HD2      HIS   7   4.005  -1.661  -0.494
   53    HE1  HIS   7           HE1      HIS   7   3.381  -5.453   1.223
   54    H    SER   8           H        SER   8   8.451  -1.681   3.411
   55    HA   SER   8           HA       SER   8  10.003   0.692   2.610
   56    HB2  SER   8           HB3      SER   8  11.091   0.623   4.831
   57    HB3  SER   8           HB2      SER   8   9.351   0.880   4.960
   58    HG   SER   8           HG       SER   8  10.717  -1.586   5.305
   59    H    GLY   9           H        GLY   9  12.315   0.409   2.514
   60    HA2  GLY   9           HA3      GLY   9  14.034  -1.497   2.885
   61    HA3  GLY   9           HA2      GLY   9  13.016  -2.333   1.724
   62    H    TYR  10           H        TYR  10  14.617   0.836   2.063
   63    HA   TYR  10           HA       TYR  10  15.182   0.793  -0.809
   64    HB2  TYR  10           HB3      TYR  10  16.014   3.202  -0.240
   65    HB3  TYR  10           HB2      TYR  10  14.287   2.875  -0.319
   66    HD1  TYR  10           HD1      TYR  10  16.735   2.182   2.414
   67    HD2  TYR  10           HD2      TYR  10  13.298   4.359   1.169
   68    HE1  TYR  10           HE1      TYR  10  16.474   3.062   4.695
   69    HE2  TYR  10           HE2      TYR  10  13.026   5.243   3.446
   70    HH   TYR  10           HH       TYR  10  13.865   4.240   5.924
   71    HN1  NH2  11           HN1      NH2  11  17.448   1.918  -1.375
   72    HN2  NH2  11           HN2      NH2  11  18.806   1.246  -0.501
   73    H1   ASP   1           H1       ASP   1   1.272  -5.707   1.591
   74    H2   ASP   1           H2       ASP   1   1.559  -6.908   0.397
   75    H3   ASP   1           H3       ASP   1   0.874  -7.344   1.907
   76    HA   ASP   1           HA       ASP   1  -0.863  -7.338   0.412
   77    HB2  ASP   1           HB3      ASP   1  -1.116  -4.584   1.570
   78    HB3  ASP   1           HB2      ASP   1  -2.309  -5.875   1.503
   79    H    ALA   2           H        ALA   2  -2.337  -5.681  -0.874
   80    HA   ALA   2           HA       ALA   2  -0.575  -4.348  -2.824
   81    HB1  ALA   2           HB1      ALA   2  -1.555  -5.603  -4.370
   82    HB2  ALA   2           HB2      ALA   2  -3.084  -4.805  -4.010
   83    HB3  ALA   2           HB3      ALA   2  -2.648  -6.292  -3.169
   84    H    GLU   3           H        GLU   3  -1.872  -2.644  -4.129
   85    HA   GLU   3           HA       GLU   3  -2.436  -0.492  -2.502
   86    HB2  GLU   3           HB3      GLU   3  -1.978  -0.523  -5.009
   87    HB3  GLU   3           HB2      GLU   3  -3.690  -0.859  -5.216
   88    HG2  GLU   3           HG3      GLU   3  -3.516   1.442  -5.490
   89    HG3  GLU   3           HG2      GLU   3  -4.093   1.247  -3.837
   90    H    PHE   4           H        PHE   4  -4.672  -2.909  -3.778
   91    HA   PHE   4           HA       PHE   4  -7.023  -1.571  -2.907
   92    HB2  PHE   4           HB3      PHE   4  -8.204  -3.587  -3.465
   93    HB3  PHE   4           HB2      PHE   4  -6.972  -3.327  -4.692
   94    HD1  PHE   4           HD1      PHE   4  -8.170  -5.493  -2.054
   95    HD2  PHE   4           HD2      PHE   4  -4.947  -4.739  -4.727
   96    HE1  PHE   4           HE1      PHE   4  -7.325  -7.771  -1.669
   97    HE2  PHE   4           HE2      PHE   4  -4.096  -7.016  -4.349
   98    HZ   PHE   4           HZ       PHE   4  -5.285  -8.536  -2.818
   99    H    ARG   5           H        ARG   5  -4.777  -3.782  -1.419
  100    HA   ARG   5           HA       ARG   5  -6.446  -4.397   0.830
  101    HB2  ARG   5           HB3      ARG   5  -3.477  -4.731   0.384
  102    HB3  ARG   5           HB2      ARG   5  -4.330  -5.311   1.808
  103    HG2  ARG   5           HG3      ARG   5  -5.761  -6.677   0.284
  104    HG3  ARG   5           HG2      ARG   5  -4.686  -6.216  -1.036
  105    HD2  ARG   5           HD3      ARG   5  -2.795  -7.192   0.221
  106    HD3  ARG   5           HD2      ARG   5  -3.924  -7.716   1.468
  107    HE   ARG   5           HE       ARG   5  -4.897  -8.776  -0.862
  108   HH11  ARG   5          HH11      ARG   5  -1.884  -8.959   0.889
  109   HH12  ARG   5          HH12      ARG   5  -1.504 -10.550   0.322
  110   HH21  ARG   5          HH21      ARG   5  -4.399 -10.872  -1.611
  111   HH22  ARG   5          HH22      ARG   5  -2.932 -11.636  -1.096
  112    H    HIS   6           H        HIS   6  -3.794  -2.163   0.176
  113    HA   HIS   6           HA       HIS   6  -3.615  -1.119   2.816
  114    HB2  HIS   6           HB3      HIS   6  -2.862   0.251   0.228
  115    HB3  HIS   6           HB2      HIS   6  -2.282   0.662   1.838
  116    HD1  HIS   6           HD1      HIS   6  -0.848  -1.461   2.995
  117    HD2  HIS   6           HD2      HIS   6  -1.217  -1.311  -1.139
  118    HE1  HIS   6           HE1      HIS   6   1.008  -2.912   2.060
  119    H    HIS   7           H        HIS   7  -5.359  -0.171  -0.086
  120    HA   HIS   7           HA       HIS   7  -6.653   2.025   1.347
  121    HB2  HIS   7           HB3      HIS   7  -6.735   1.275  -1.582
  122    HB3  HIS   7           HB2      HIS   7  -7.481   2.703  -0.873
  123    HD1  HIS   7           HD1      HIS   7  -6.065   4.764  -0.898
  124    HD2  HIS   7           HD2      HIS   7  -3.800   1.295  -1.230
  125    HE1  HIS   7           HE1      HIS   7  -3.678   5.506  -1.280
  126    H    SER   8           H        SER   8  -9.051   2.322   0.570
  127    HA   SER   8           HA       SER   8 -10.407  -0.236   1.087
  128    HB2  SER   8           HB3      SER   8 -11.323   2.606   1.586
  129    HB3  SER   8           HB2      SER   8 -12.316   1.175   1.862
  130    HG   SER   8           HG       SER   8 -10.092   2.109   3.273
  131    H    GLY   9           H        GLY   9 -11.726  -1.083  -0.403
  132    HA2  GLY   9           HA3      GLY   9 -13.410   0.235  -2.147
  133    HA3  GLY   9           HA2      GLY   9 -11.881   0.090  -3.000
  134    H    TYR  10           H        TYR  10 -13.231  -1.174  -4.503
  135    HA   TYR  10           HA       TYR  10 -13.655  -3.932  -3.568
  136    HB2  TYR  10           HB3      TYR  10 -14.893  -2.473  -5.911
  137    HB3  TYR  10           HB2      TYR  10 -15.184  -4.163  -5.508
  138    HD1  TYR  10           HD1      TYR  10 -15.675  -0.685  -4.354
  139    HD2  TYR  10           HD2      TYR  10 -16.733  -4.771  -3.809
  140    HE1  TYR  10           HE1      TYR  10 -17.508  -0.006  -2.864
  141    HE2  TYR  10           HE2      TYR  10 -18.570  -4.102  -2.319
  142    HH   TYR  10           HH       TYR  10 -19.691  -0.943  -2.084
  143    HN1  NH2  11           HN1      NH2  11 -12.612  -2.109  -6.527
  144    HN2  NH2  11           HN2      NH2  11 -11.484  -3.335  -7.061
  Start of MODEL   13
    1    H1   ASP   1           H1       ASP   1  -0.706   8.103  -0.147
    2    H2   ASP   1           H2       ASP   1  -1.600   6.650  -0.338
    3    H3   ASP   1           H3       ASP   1  -0.962   7.455  -1.713
    4    HA   ASP   1           HA       ASP   1   1.273   7.116  -0.689
    5    HB2  ASP   1           HB3      ASP   1  -0.458   5.267   0.963
    6    HB3  ASP   1           HB2      ASP   1   1.291   5.101   0.843
    7    H    ALA   2           H        ALA   2   2.499   5.261  -1.455
    8    HA   ALA   2           HA       ALA   2   0.970   3.567  -3.321
    9    HB1  ALA   2           HB1      ALA   2   2.992   5.470  -3.916
   10    HB2  ALA   2           HB2      ALA   2   2.131   4.397  -5.019
   11    HB3  ALA   2           HB3      ALA   2   3.632   3.863  -4.261
   12    H    GLU   3           H        GLU   3   2.432   1.657  -4.066
   13    HA   GLU   3           HA       GLU   3   2.798  -0.089  -1.987
   14    HB2  GLU   3           HB3      GLU   3   2.896  -0.389  -4.615
   15    HB3  GLU   3           HB2      GLU   3   4.630  -0.334  -4.331
   16    HG2  GLU   3           HG3      GLU   3   4.386  -2.550  -4.090
   17    HG3  GLU   3           HG2      GLU   3   3.914  -2.111  -2.450
   18    H    PHE   4           H        PHE   4   5.148   2.158  -3.344
   19    HA   PHE   4           HA       PHE   4   7.361   1.180  -1.852
   20    HB2  PHE   4           HB3      PHE   4   8.508   3.207  -2.561
   21    HB3  PHE   4           HB2      PHE   4   7.629   2.511  -3.916
   22    HD1  PHE   4           HD1      PHE   4   7.661   5.241  -1.447
   23    HD2  PHE   4           HD2      PHE   4   5.873   3.695  -4.984
   24    HE1  PHE   4           HE1      PHE   4   6.552   7.403  -1.826
   25    HE2  PHE   4           HE2      PHE   4   4.760   5.855  -5.370
   26    HZ   PHE   4           HZ       PHE   4   5.098   7.713  -3.790
   27    H    ARG   5           H        ARG   5   4.842   3.523  -1.250
   28    HA   ARG   5           HA       ARG   5   6.091   4.620   1.094
   29    HB2  ARG   5           HB3      ARG   5   4.439   5.821  -0.423
   30    HB3  ARG   5           HB2      ARG   5   3.186   4.838   0.323
   31    HG2  ARG   5           HG3      ARG   5   3.071   6.745   1.578
   32    HG3  ARG   5           HG2      ARG   5   4.175   5.767   2.546
   33    HD2  ARG   5           HD3      ARG   5   6.070   6.907   1.373
   34    HD3  ARG   5           HD2      ARG   5   4.885   7.985   0.637
   35    HE   ARG   5           HE       ARG   5   4.772   7.857   3.518
   36   HH11  ARG   5          HH11      ARG   5   6.159   9.466   0.747
   37   HH12  ARG   5          HH12      ARG   5   6.519  10.920   1.616
   38   HH21  ARG   5          HH21      ARG   5   5.244   9.767   4.660
   39   HH22  ARG   5          HH22      ARG   5   6.000  11.091   3.837
   40    H    HIS   6           H        HIS   6   3.571   2.250   0.402
   41    HA   HIS   6           HA       HIS   6   2.779   1.829   3.095
   42    HB2  HIS   6           HB3      HIS   6   2.590  -0.126   0.798
   43    HB3  HIS   6           HB2      HIS   6   1.630  -0.136   2.272
   44    HD1  HIS   6           HD1      HIS   6   0.240   2.372   2.501
   45    HD2  HIS   6           HD2      HIS   6   1.233   0.866  -1.241
   46    HE1  HIS   6           HE1      HIS   6  -1.299   3.510   0.848
   47    H    HIS   7           H        HIS   7   5.043   0.182   0.947
   48    HA   HIS   7           HA       HIS   7   5.887  -1.586   3.102
   49    HB2  HIS   7           HB3      HIS   7   6.707  -1.465   0.195
   50    HB3  HIS   7           HB2      HIS   7   7.246  -2.683   1.346
   51    HD1  HIS   7           HD1      HIS   7   5.694  -4.662   1.738
   52    HD2  HIS   7           HD2      HIS   7   3.915  -1.605  -0.444
   53    HE1  HIS   7           HE1      HIS   7   3.486  -5.571   0.900
   54    H    SER   8           H        SER   8   7.795  -1.472   4.141
   55    HA   SER   8           HA       SER   8   9.630   0.701   3.362
   56    HB2  SER   8           HB3      SER   8   8.436   1.220   5.452
   57    HB3  SER   8           HB2      SER   8   9.009  -0.293   6.156
   58    HG   SER   8           HG       SER   8  10.747   1.718   5.177
   59    H    GLY   9           H        GLY   9  11.784   0.263   3.275
   60    HA2  GLY   9           HA3      GLY   9  13.663  -1.100   4.103
   61    HA3  GLY   9           HA2      GLY   9  12.601  -2.493   3.963
   62    H    TYR  10           H        TYR  10  15.144  -2.340   2.780
   63    HA   TYR  10           HA       TYR  10  14.497  -2.095  -0.082
   64    HB2  TYR  10           HB3      TYR  10  17.191  -2.019   1.294
   65    HB3  TYR  10           HB2      TYR  10  16.933  -1.895  -0.444
   66    HD1  TYR  10           HD1      TYR  10  16.524  -0.188   2.786
   67    HD2  TYR  10           HD2      TYR  10  16.142   0.148  -1.437
   68    HE1  TYR  10           HE1      TYR  10  16.274   2.249   3.008
   69    HE2  TYR  10           HE2      TYR  10  15.891   2.585  -1.228
   70    HH   TYR  10           HH       TYR  10  16.476   4.248   1.742
   71    HN1  NH2  11           HN1      NH2  11  15.668  -3.716  -1.555
   72    HN2  NH2  11           HN2      NH2  11  15.809  -5.355  -0.959
   73    H1   ASP   1           H1       ASP   1   0.682  -7.292   2.510
   74    H2   ASP   1           H2       ASP   1   1.427  -6.163   1.454
   75    H3   ASP   1           H3       ASP   1   1.092  -7.758   0.912
   76    HA   ASP   1           HA       ASP   1  -1.167  -7.411   0.886
   77    HB2  ASP   1           HB3      ASP   1  -0.493  -4.916   2.451
   78    HB3  ASP   1           HB2      ASP   1  -2.075  -5.192   1.734
   79    H    ALA   2           H        ALA   2  -2.435  -5.816  -0.491
   80    HA   ALA   2           HA       ALA   2  -0.611  -4.591  -2.456
   81    HB1  ALA   2           HB1      ALA   2  -3.159  -5.028  -3.612
   82    HB2  ALA   2           HB2      ALA   2  -2.686  -6.507  -2.777
   83    HB3  ALA   2           HB3      ALA   2  -1.628  -5.812  -4.004
   84    H    GLU   3           H        GLU   3  -1.964  -2.982  -3.894
   85    HA   GLU   3           HA       GLU   3  -2.416  -0.691  -2.413
   86    HB2  GLU   3           HB3      GLU   3  -2.088  -1.066  -4.980
   87    HB3  GLU   3           HB2      GLU   3  -3.846  -1.100  -5.009
   88    HG2  GLU   3           HG3      GLU   3  -3.573   1.106  -5.356
   89    HG3  GLU   3           HG2      GLU   3  -3.497   1.133  -3.596
   90    H    PHE   4           H        PHE   4  -4.730  -3.137  -3.465
   91    HA   PHE   4           HA       PHE   4  -7.030  -1.688  -2.636
   92    HB2  PHE   4           HB3      PHE   4  -8.265  -3.714  -3.026
   93    HB3  PHE   4           HB2      PHE   4  -7.068  -3.548  -4.304
   94    HD1  PHE   4           HD1      PHE   4  -8.248  -5.557  -1.547
   95    HD2  PHE   4           HD2      PHE   4  -5.042  -4.975  -4.282
   96    HE1  PHE   4           HE1      PHE   4  -7.426  -7.824  -1.060
   97    HE2  PHE   4           HE2      PHE   4  -4.213  -7.242  -3.800
   98    HZ   PHE   4           HZ       PHE   4  -5.405  -8.669  -2.186
   99    H    ARG   5           H        ARG   5  -4.770  -3.794  -1.041
  100    HA   ARG   5           HA       ARG   5  -6.401  -4.226   1.288
  101    HB2  ARG   5           HB3      ARG   5  -3.461  -4.656   0.769
  102    HB3  ARG   5           HB2      ARG   5  -4.260  -5.098   2.269
  103    HG2  ARG   5           HG3      ARG   5  -4.970  -6.180  -0.443
  104    HG3  ARG   5           HG2      ARG   5  -3.930  -6.989   0.726
  105    HD2  ARG   5           HD3      ARG   5  -6.702  -6.126   1.467
  106    HD3  ARG   5           HD2      ARG   5  -6.423  -7.646   0.623
  107    HE   ARG   5           HE       ARG   5  -5.348  -6.974   3.284
  108   HH11  ARG   5          HH11      ARG   5  -6.385  -9.340   0.922
  109   HH12  ARG   5          HH12      ARG   5  -6.199 -10.675   2.005
  110   HH21  ARG   5          HH21      ARG   5  -5.107  -8.737   4.695
  111   HH22  ARG   5          HH22      ARG   5  -5.475 -10.335   4.142
  112    H    HIS   6           H        HIS   6  -3.704  -2.134   0.397
  113    HA   HIS   6           HA       HIS   6  -3.373  -0.919   2.930
  114    HB2  HIS   6           HB3      HIS   6  -2.755   0.319   0.245
  115    HB3  HIS   6           HB2      HIS   6  -2.031   0.732   1.794
  116    HD1  HIS   6           HD1      HIS   6  -0.861  -1.719   2.886
  117    HD2  HIS   6           HD2      HIS   6  -1.039  -1.066  -1.210
  118    HE1  HIS   6           HE1      HIS   6   0.916  -3.200   1.848
  119    H    HIS   7           H        HIS   7  -5.284  -0.100   0.092
  120    HA   HIS   7           HA       HIS   7  -6.435   2.203   1.484
  121    HB2  HIS   7           HB3      HIS   7  -6.703   1.293  -1.389
  122    HB3  HIS   7           HB2      HIS   7  -7.427   2.751  -0.719
  123    HD1  HIS   7           HD1      HIS   7  -6.003   4.826  -0.789
  124    HD2  HIS   7           HD2      HIS   7  -3.795   1.349  -1.352
  125    HE1  HIS   7           HE1      HIS   7  -3.659   5.562  -1.385
  126    H    SER   8           H        SER   8  -8.773   2.523   1.391
  127    HA   SER   8           HA       SER   8 -10.290   0.006   1.306
  128    HB2  SER   8           HB3      SER   8 -10.428   2.146   3.440
  129    HB3  SER   8           HB2      SER   8 -11.603   0.841   3.275
  130    HG   SER   8           HG       SER   8  -8.830   0.351   3.527
  131    H    GLY   9           H        GLY   9 -12.308   0.116   0.419
  132    HA2  GLY   9           HA3      GLY   9 -13.358   2.776  -0.272
  133    HA3  GLY   9           HA2      GLY   9 -13.131   1.585  -1.545
  134    H    TYR  10           H        TYR  10 -15.604   2.767  -0.949
  135    HA   TYR  10           HA       TYR  10 -17.122   0.795   0.557
  136    HB2  TYR  10           HB3      TYR  10 -17.908   3.384  -0.787
  137    HB3  TYR  10           HB2      TYR  10 -19.059   2.320   0.015
  138    HD1  TYR  10           HD1      TYR  10 -16.307   4.685   0.497
  139    HD2  TYR  10           HD2      TYR  10 -19.083   2.112   2.438
  140    HE1  TYR  10           HE1      TYR  10 -15.814   5.783   2.641
  141    HE2  TYR  10           HE2      TYR  10 -18.599   3.202   4.589
  142    HH   TYR  10           HH       TYR  10 -15.981   5.037   5.172
  143    HN1  NH2  11           HN1      NH2  11 -16.419   1.640  -2.796
  144    HN2  NH2  11           HN2      NH2  11 -17.481   0.450  -3.517
  Start of MODEL   14
    1    H1   ASP   1           H1       ASP   1  -1.089   7.468  -1.829
    2    H2   ASP   1           H2       ASP   1  -0.936   7.856  -0.164
    3    H3   ASP   1           H3       ASP   1  -1.675   6.382  -0.638
    4    HA   ASP   1           HA       ASP   1   1.139   7.151  -1.030
    5    HB2  ASP   1           HB3      ASP   1  -0.303   5.288   0.856
    6    HB3  ASP   1           HB2      ASP   1   1.424   5.150   0.541
    7    H    ALA   2           H        ALA   2   2.451   5.267  -1.712
    8    HA   ALA   2           HA       ALA   2   0.938   3.516  -3.539
    9    HB1  ALA   2           HB1      ALA   2   3.777   4.205  -4.100
   10    HB2  ALA   2           HB2      ALA   2   2.529   5.397  -4.456
   11    HB3  ALA   2           HB3      ALA   2   2.471   3.807  -5.214
   12    H    GLU   3           H        GLU   3   2.469   1.608  -4.233
   13    HA   GLU   3           HA       GLU   3   2.724  -0.111  -2.098
   14    HB2  GLU   3           HB3      GLU   3   2.732  -0.628  -4.603
   15    HB3  GLU   3           HB2      GLU   3   4.462  -0.321  -4.546
   16    HG2  GLU   3           HG3      GLU   3   4.247  -2.636  -4.350
   17    HG3  GLU   3           HG2      GLU   3   4.560  -2.070  -2.710
   18    H    PHE   4           H        PHE   4   5.176   2.038  -3.462
   19    HA   PHE   4           HA       PHE   4   7.321   0.992  -1.912
   20    HB2  PHE   4           HB3      PHE   4   8.618   2.818  -2.714
   21    HB3  PHE   4           HB2      PHE   4   7.546   2.362  -4.033
   22    HD1  PHE   4           HD1      PHE   4   8.309   4.902  -1.516
   23    HD2  PHE   4           HD2      PHE   4   5.788   3.836  -4.772
   24    HE1  PHE   4           HE1      PHE   4   7.522   7.228  -1.663
   25    HE2  PHE   4           HE2      PHE   4   4.997   6.160  -4.926
   26    HZ   PHE   4           HZ       PHE   4   5.864   7.861  -3.371
   27    H    ARG   5           H        ARG   5   4.904   3.460  -1.392
   28    HA   ARG   5           HA       ARG   5   6.144   4.552   0.946
   29    HB2  ARG   5           HB3      ARG   5   4.594   5.829  -0.534
   30    HB3  ARG   5           HB2      ARG   5   3.278   4.812   0.034
   31    HG2  ARG   5           HG3      ARG   5   3.302   6.942   1.192
   32    HG3  ARG   5           HG2      ARG   5   3.629   5.614   2.308
   33    HD2  ARG   5           HD3      ARG   5   5.820   6.219   2.605
   34    HD3  ARG   5           HD2      ARG   5   5.936   6.982   1.020
   35    HE   ARG   5           HE       ARG   5   5.064   8.204   3.485
   36   HH11  ARG   5          HH11      ARG   5   5.058   8.407   0.001
   37   HH12  ARG   5          HH12      ARG   5   4.782  10.116  -0.024
   38   HH21  ARG   5          HH21      ARG   5   4.703  10.451   3.454
   39   HH22  ARG   5          HH22      ARG   5   4.581  11.276   1.936
   40    H    HIS   6           H        HIS   6   3.584   2.214   0.292
   41    HA   HIS   6           HA       HIS   6   2.767   1.864   2.985
   42    HB2  HIS   6           HB3      HIS   6   2.584  -0.121   0.709
   43    HB3  HIS   6           HB2      HIS   6   1.636  -0.142   2.193
   44    HD1  HIS   6           HD1      HIS   6   0.316   2.446   2.426
   45    HD2  HIS   6           HD2      HIS   6   1.114   0.781  -1.294
   46    HE1  HIS   6           HE1      HIS   6  -1.260   3.565   0.796
   47    H    HIS   7           H        HIS   7   5.066   0.179   0.912
   48    HA   HIS   7           HA       HIS   7   5.882  -1.539   3.124
   49    HB2  HIS   7           HB3      HIS   7   6.729  -1.504   0.221
   50    HB3  HIS   7           HB2      HIS   7   7.261  -2.684   1.414
   51    HD1  HIS   7           HD1      HIS   7   5.740  -4.679   1.802
   52    HD2  HIS   7           HD2      HIS   7   3.924  -1.662  -0.408
   53    HE1  HIS   7           HE1      HIS   7   3.552  -5.628   0.959
   54    H    SER   8           H        SER   8   7.568  -1.081   4.370
   55    HA   SER   8           HA       SER   8   9.238   1.196   3.756
   56    HB2  SER   8           HB3      SER   8   8.437   0.885   6.047
   57    HB3  SER   8           HB2      SER   8   9.244  -0.681   6.134
   58    HG   SER   8           HG       SER   8  11.234   0.430   5.859
   59    H    GLY   9           H        GLY   9  11.264   1.163   2.993
   60    HA2  GLY   9           HA3      GLY   9  13.216  -0.747   3.391
   61    HA3  GLY   9           HA2      GLY   9  12.345  -1.261   1.956
   62    H    TYR  10           H        TYR  10  14.704  -0.905   1.226
   63    HA   TYR  10           HA       TYR  10  15.409   1.853   0.716
   64    HB2  TYR  10           HB3      TYR  10  17.394   0.903  -0.393
   65    HB3  TYR  10           HB2      TYR  10  17.174   0.243   1.224
   66    HD1  TYR  10           HD1      TYR  10  16.556  -2.084   1.547
   67    HD2  TYR  10           HD2      TYR  10  17.085  -0.489  -2.361
   68    HE1  TYR  10           HE1      TYR  10  16.630  -4.367   0.632
   69    HE2  TYR  10           HE2      TYR  10  17.160  -2.766  -3.287
   70    HH   TYR  10           HH       TYR  10  16.161  -5.463  -1.620
   71    HN1  NH2  11           HN1      NH2  11  13.354  -0.404  -0.788
   72    HN2  NH2  11           HN2      NH2  11  13.356   0.291  -2.394
   73    H1   ASP   1           H1       ASP   1   1.311  -7.695  -0.197
   74    H2   ASP   1           H2       ASP   1   0.855  -7.830   1.454
   75    H3   ASP   1           H3       ASP   1   1.615  -6.399   0.885
   76    HA   ASP   1           HA       ASP   1  -1.039  -7.413   0.118
   77    HB2  ASP   1           HB3      ASP   1  -0.075  -5.154   1.876
   78    HB3  ASP   1           HB2      ASP   1  -1.723  -5.255   1.266
   79    H    ALA   2           H        ALA   2  -2.263  -5.799  -1.136
   80    HA   ALA   2           HA       ALA   2  -0.486  -4.322  -2.966
   81    HB1  ALA   2           HB1      ALA   2  -1.472  -5.421  -4.619
   82    HB2  ALA   2           HB2      ALA   2  -3.016  -4.699  -4.164
   83    HB3  ALA   2           HB3      ALA   2  -2.526  -6.246  -3.470
   84    H    GLU   3           H        GLU   3  -1.856  -2.601  -4.213
   85    HA   GLU   3           HA       GLU   3  -2.385  -0.495  -2.512
   86    HB2  GLU   3           HB3      GLU   3  -2.017  -0.514  -5.061
   87    HB3  GLU   3           HB2      GLU   3  -3.751  -0.773  -5.177
   88    HG2  GLU   3           HG3      GLU   3  -3.741   1.478  -5.317
   89    HG3  GLU   3           HG2      GLU   3  -3.777   1.334  -3.561
   90    H    PHE   4           H        PHE   4  -4.554  -3.009  -3.633
   91    HA   PHE   4           HA       PHE   4  -6.923  -1.688  -2.714
   92    HB2  PHE   4           HB3      PHE   4  -8.021  -3.898  -3.119
   93    HB3  PHE   4           HB2      PHE   4  -7.174  -3.246  -4.515
   94    HD1  PHE   4           HD1      PHE   4  -7.128  -5.829  -1.907
   95    HD2  PHE   4           HD2      PHE   4  -5.279  -4.360  -5.447
   96    HE1  PHE   4           HE1      PHE   4  -5.907  -7.953  -2.148
   97    HE2  PHE   4           HE2      PHE   4  -4.052  -6.479  -5.690
   98    HZ   PHE   4           HZ       PHE   4  -4.367  -8.279  -4.040
   99    H    ARG   5           H        ARG   5  -4.544  -3.775  -1.306
  100    HA   ARG   5           HA       ARG   5  -6.172  -4.558   0.936
  101    HB2  ARG   5           HB3      ARG   5  -3.197  -4.725   0.462
  102    HB3  ARG   5           HB2      ARG   5  -4.011  -5.404   1.864
  103    HG2  ARG   5           HG3      ARG   5  -4.533  -6.189  -0.989
  104    HG3  ARG   5           HG2      ARG   5  -3.502  -7.072   0.134
  105    HD2  ARG   5           HD3      ARG   5  -6.366  -6.470   0.794
  106    HD3  ARG   5           HD2      ARG   5  -5.929  -7.869  -0.183
  107    HE   ARG   5           HE       ARG   5  -4.341  -7.963   2.081
  108   HH11  ARG   5          HH11      ARG   5  -7.750  -8.068   1.333
  109   HH12  ARG   5          HH12      ARG   5  -8.147  -9.051   2.702
  110   HH21  ARG   5          HH21      ARG   5  -4.863  -9.258   3.880
  111   HH22  ARG   5          HH22      ARG   5  -6.508  -9.726   4.148
  112    H    HIS   6           H        HIS   6  -3.604  -2.217   0.324
  113    HA   HIS   6           HA       HIS   6  -3.467  -1.247   2.997
  114    HB2  HIS   6           HB3      HIS   6  -2.666   0.247   0.501
  115    HB3  HIS   6           HB2      HIS   6  -2.041   0.472   2.131
  116    HD1  HIS   6           HD1      HIS   6  -0.693  -1.796   3.061
  117    HD2  HIS   6           HD2      HIS   6  -1.149  -1.304  -1.037
  118    HE1  HIS   6           HE1      HIS   6   1.042  -3.282   1.966
  119    H    HIS   7           H        HIS   7  -5.069  -0.115   0.063
  120    HA   HIS   7           HA       HIS   7  -6.266   2.137   1.405
  121    HB2  HIS   7           HB3      HIS   7  -6.645   1.000  -1.369
  122    HB3  HIS   7           HB2      HIS   7  -7.428   2.466  -0.788
  123    HD1  HIS   7           HD1      HIS   7  -6.183   4.567  -1.311
  124    HD2  HIS   7           HD2      HIS   7  -3.682   1.250  -1.168
  125    HE1  HIS   7           HE1      HIS   7  -3.877   5.388  -1.946
  126    H    SER   8           H        SER   8  -7.008  -1.144   1.179
  127    HA   SER   8           HA       SER   8  -8.829  -2.392   1.722
  128    HB2  SER   8           HB3      SER   8  -8.749  -0.237   3.523
  129    HB3  SER   8           HB2      SER   8 -10.436  -0.371   3.031
  130    HG   SER   8           HG       SER   8  -9.661  -1.713   4.874
  131    H    GLY   9           H        GLY   9  -8.864  -1.217  -0.821
  132    HA2  GLY   9           HA3      GLY   9 -11.296   0.093  -1.427
  133    HA3  GLY   9           HA2      GLY   9 -10.267  -0.747  -2.578
  134    H    TYR  10           H        TYR  10 -13.138  -0.695  -2.533
  135    HA   TYR  10           HA       TYR  10 -13.932  -3.344  -1.627
  136    HB2  TYR  10           HB3      TYR  10 -15.522  -1.146  -2.966
  137    HB3  TYR  10           HB2      TYR  10 -16.194  -2.656  -2.359
  138    HD1  TYR  10           HD1      TYR  10 -14.524   0.489  -1.347
  139    HD2  TYR  10           HD2      TYR  10 -16.730  -2.917  -0.066
  140    HE1  TYR  10           HE1      TYR  10 -14.831   1.526   0.860
  141    HE2  TYR  10           HE2      TYR  10 -17.043  -1.888   2.146
  142    HH   TYR  10           HH       TYR  10 -15.273   0.587   3.290
  143    HN1  NH2  11           HN1      NH2  11 -14.649  -5.052  -3.019
  144    HN2  NH2  11           HN2      NH2  11 -14.302  -5.036  -4.734
  Start of MODEL   15
    1    H1   ASP   1           H1       ASP   1  -0.621   7.496  -2.140
    2    H2   ASP   1           H2       ASP   1  -0.552   7.968  -0.492
    3    H3   ASP   1           H3       ASP   1  -1.475   6.598  -0.957
    4    HA   ASP   1           HA       ASP   1   1.449   6.901  -1.071
    5    HB2  ASP   1           HB3      ASP   1  -0.369   5.124   0.574
    6    HB3  ASP   1           HB2      ASP   1   1.392   5.119   0.630
    7    H    ALA   2           H        ALA   2   2.585   5.113  -1.905
    8    HA   ALA   2           HA       ALA   2   0.976   3.334  -3.623
    9    HB1  ALA   2           HB1      ALA   2   2.902   5.179  -4.407
   10    HB2  ALA   2           HB2      ALA   2   2.223   3.877  -5.384
   11    HB3  ALA   2           HB3      ALA   2   3.720   3.620  -4.489
   12    H    GLU   3           H        GLU   3   2.554   1.431  -4.364
   13    HA   GLU   3           HA       GLU   3   2.814  -0.290  -2.217
   14    HB2  GLU   3           HB3      GLU   3   2.803  -0.799  -4.737
   15    HB3  GLU   3           HB2      GLU   3   4.538  -0.519  -4.673
   16    HG2  GLU   3           HG3      GLU   3   4.253  -2.839  -4.488
   17    HG3  GLU   3           HG2      GLU   3   4.627  -2.274  -2.861
   18    H    PHE   4           H        PHE   4   5.091   2.053  -3.445
   19    HA   PHE   4           HA       PHE   4   7.302   0.991  -1.926
   20    HB2  PHE   4           HB3      PHE   4   8.575   2.849  -2.779
   21    HB3  PHE   4           HB2      PHE   4   7.608   2.196  -4.096
   22    HD1  PHE   4           HD1      PHE   4   8.105   5.027  -1.843
   23    HD2  PHE   4           HD2      PHE   4   5.778   3.458  -5.041
   24    HE1  PHE   4           HE1      PHE   4   7.182   7.268  -2.266
   25    HE2  PHE   4           HE2      PHE   4   4.851   5.696  -5.470
   26    HZ   PHE   4           HZ       PHE   4   5.552   7.605  -4.083
   27    H    ARG   5           H        ARG   5   4.748   3.271  -1.448
   28    HA   ARG   5           HA       ARG   5   6.007   4.595   0.786
   29    HB2  ARG   5           HB3      ARG   5   4.386   5.730  -0.738
   30    HB3  ARG   5           HB2      ARG   5   3.122   4.692  -0.096
   31    HG2  ARG   5           HG3      ARG   5   2.856   5.964   1.707
   32    HG3  ARG   5           HG2      ARG   5   4.592   6.045   2.004
   33    HD2  ARG   5           HD3      ARG   5   3.968   7.606  -0.306
   34    HD3  ARG   5           HD2      ARG   5   2.887   8.068   1.008
   35    HE   ARG   5           HE       ARG   5   5.494   7.925   2.014
   36   HH11  ARG   5          HH11      ARG   5   3.607   9.856  -0.198
   37   HH12  ARG   5          HH12      ARG   5   4.537  11.293   0.067
   38   HH21  ARG   5          HH21      ARG   5   6.717   9.814   2.364
   39   HH22  ARG   5          HH22      ARG   5   6.303  11.268   1.522
   40    H    HIS   6           H        HIS   6   3.515   2.139   0.294
   41    HA   HIS   6           HA       HIS   6   2.795   1.904   3.037
   42    HB2  HIS   6           HB3      HIS   6   2.511  -0.177   0.864
   43    HB3  HIS   6           HB2      HIS   6   1.619  -0.113   2.378
   44    HD1  HIS   6           HD1      HIS   6   0.112   2.253   2.579
   45    HD2  HIS   6           HD2      HIS   6   1.186   0.870  -1.186
   46    HE1  HIS   6           HE1      HIS   6  -1.465   3.361   0.942
   47    H    HIS   7           H        HIS   7   5.037   0.189   0.935
   48    HA   HIS   7           HA       HIS   7   5.912  -1.507   3.138
   49    HB2  HIS   7           HB3      HIS   7   6.738  -1.452   0.227
   50    HB3  HIS   7           HB2      HIS   7   7.274  -2.639   1.412
   51    HD1  HIS   7           HD1      HIS   7   5.738  -4.622   1.831
   52    HD2  HIS   7           HD2      HIS   7   3.944  -1.626  -0.426
   53    HE1  HIS   7           HE1      HIS   7   3.555  -5.576   0.978
   54    H    SER   8           H        SER   8   7.793  -1.279   4.204
   55    HA   SER   8           HA       SER   8   9.608   0.868   3.315
   56    HB2  SER   8           HB3      SER   8   8.786   0.069   6.112
   57    HB3  SER   8           HB2      SER   8  10.164   1.119   5.779
   58    HG   SER   8           HG       SER   8   7.617   1.795   5.959
   59    H    GLY   9           H        GLY   9  11.700   0.368   3.054
   60    HA2  GLY   9           HA3      GLY   9  13.133  -1.553   4.514
   61    HA3  GLY   9           HA2      GLY   9  12.563  -2.308   3.033
   62    H    TYR  10           H        TYR  10  15.130  -2.358   3.139
   63    HA   TYR  10           HA       TYR  10  16.120   0.003   1.684
   64    HB2  TYR  10           HB3      TYR  10  17.540  -1.988   3.446
   65    HB3  TYR  10           HB2      TYR  10  18.410  -0.917   2.354
   66    HD1  TYR  10           HD1      TYR  10  15.640  -0.595   4.854
   67    HD2  TYR  10           HD2      TYR  10  19.313   0.946   3.356
   68    HE1  TYR  10           HE1      TYR  10  15.590   1.172   6.562
   69    HE2  TYR  10           HE2      TYR  10  19.272   2.717   5.062
   70    HH   TYR  10           HH       TYR  10  16.536   3.456   6.880
   71    HN1  NH2  11           HN1      NH2  11  17.379  -0.297  -0.260
   72    HN2  NH2  11           HN2      NH2  11  17.349  -1.819  -1.121
   73    H1   ASP   1           H1       ASP   1   1.629  -6.238   0.833
   74    H2   ASP   1           H2       ASP   1   1.214  -7.782   0.209
   75    H3   ASP   1           H3       ASP   1   0.897  -7.404   1.853
   76    HA   ASP   1           HA       ASP   1  -1.027  -7.360   0.303
   77    HB2  ASP   1           HB3      ASP   1  -0.215  -5.010   2.019
   78    HB3  ASP   1           HB2      ASP   1  -1.834  -5.198   1.359
   79    H    ALA   2           H        ALA   2  -2.297  -5.690  -0.928
   80    HA   ALA   2           HA       ALA   2  -0.521  -4.288  -2.819
   81    HB1  ALA   2           HB1      ALA   2  -1.538  -5.375  -4.462
   82    HB2  ALA   2           HB2      ALA   2  -3.090  -4.703  -3.963
   83    HB3  ALA   2           HB3      ALA   2  -2.531  -6.232  -3.283
   84    H    GLU   3           H        GLU   3  -1.893  -2.578  -4.092
   85    HA   GLU   3           HA       GLU   3  -2.387  -0.439  -2.422
   86    HB2  GLU   3           HB3      GLU   3  -2.020  -0.447  -4.944
   87    HB3  GLU   3           HB2      GLU   3  -3.739  -0.782  -5.091
   88    HG2  GLU   3           HG3      GLU   3  -3.609   1.513  -5.345
   89    HG3  GLU   3           HG2      GLU   3  -4.066   1.316  -3.654
   90    H    PHE   4           H        PHE   4  -4.663  -2.852  -3.627
   91    HA   PHE   4           HA       PHE   4  -6.983  -1.517  -2.664
   92    HB2  PHE   4           HB3      PHE   4  -8.182  -3.534  -3.185
   93    HB3  PHE   4           HB2      PHE   4  -6.999  -3.263  -4.459
   94    HD1  PHE   4           HD1      PHE   4  -8.079  -5.442  -1.777
   95    HD2  PHE   4           HD2      PHE   4  -4.989  -4.674  -4.598
   96    HE1  PHE   4           HE1      PHE   4  -7.212  -7.717  -1.440
   97    HE2  PHE   4           HE2      PHE   4  -4.114  -6.950  -4.266
   98    HZ   PHE   4           HZ       PHE   4  -5.227  -8.475  -2.684
   99    H    ARG   5           H        ARG   5  -4.668  -3.712  -1.270
  100    HA   ARG   5           HA       ARG   5  -6.227  -4.374   1.043
  101    HB2  ARG   5           HB3      ARG   5  -3.285  -4.604   0.420
  102    HB3  ARG   5           HB2      ARG   5  -3.985  -5.143   1.938
  103    HG2  ARG   5           HG3      ARG   5  -4.734  -6.171  -0.785
  104    HG3  ARG   5           HG2      ARG   5  -3.641  -6.970   0.343
  105    HD2  ARG   5           HD3      ARG   5  -5.602  -6.854   2.002
  106    HD3  ARG   5           HD2      ARG   5  -6.598  -6.521   0.586
  107    HE   ARG   5           HE       ARG   5  -6.439  -8.725   0.012
  108   HH11  ARG   5          HH11      ARG   5  -3.909  -7.991   2.301
  109   HH12  ARG   5          HH12      ARG   5  -3.401  -9.639   2.457
  110   HH21  ARG   5          HH21      ARG   5  -5.773 -10.892   0.216
  111   HH22  ARG   5          HH22      ARG   5  -4.458 -11.287   1.274
  112    H    HIS   6           H        HIS   6  -3.620  -2.116   0.303
  113    HA   HIS   6           HA       HIS   6  -3.391  -1.041   2.923
  114    HB2  HIS   6           HB3      HIS   6  -2.664   0.331   0.332
  115    HB3  HIS   6           HB2      HIS   6  -1.996   0.649   1.929
  116    HD1  HIS   6           HD1      HIS   6  -0.779  -1.750   2.943
  117    HD2  HIS   6           HD2      HIS   6  -1.021  -1.115  -1.156
  118    HE1  HIS   6           HE1      HIS   6   0.985  -3.230   1.884
  119    H    HIS   7           H        HIS   7  -5.197  -0.114   0.047
  120    HA   HIS   7           HA       HIS   7  -6.343   2.193   1.406
  121    HB2  HIS   7           HB3      HIS   7  -6.693   1.142  -1.410
  122    HB3  HIS   7           HB2      HIS   7  -7.445   2.610  -0.791
  123    HD1  HIS   7           HD1      HIS   7  -6.164   4.677  -1.332
  124    HD2  HIS   7           HD2      HIS   7  -3.704   1.333  -1.107
  125    HE1  HIS   7           HE1      HIS   7  -3.835   5.465  -1.925
  126    H    SER   8           H        SER   8  -8.422   2.355   2.086
  127    HA   SER   8           HA       SER   8 -10.006  -0.119   2.032
  128    HB2  SER   8           HB3      SER   8  -9.528   0.566   4.281
  129    HB3  SER   8           HB2      SER   8 -10.021   2.225   3.941
  130    HG   SER   8           HG       SER   8 -11.674  -0.078   4.025
  131    H    GLY   9           H        GLY   9 -12.057  -0.159   1.245
  132    HA2  GLY   9           HA3      GLY   9 -12.861   2.117  -0.374
  133    HA3  GLY   9           HA2      GLY   9 -13.598   0.524  -0.376
  134    H    TYR  10           H        TYR  10 -15.474   2.183  -0.467
  135    HA   TYR  10           HA       TYR  10 -16.223   3.500   1.935
  136    HB2  TYR  10           HB3      TYR  10 -17.665   2.786  -0.602
  137    HB3  TYR  10           HB2      TYR  10 -18.540   3.472   0.764
  138    HD1  TYR  10           HD1      TYR  10 -15.597   4.117  -1.433
  139    HD2  TYR  10           HD2      TYR  10 -18.658   5.782   1.008
  140    HE1  TYR  10           HE1      TYR  10 -14.938   6.374  -2.155
  141    HE2  TYR  10           HE2      TYR  10 -18.008   8.043   0.292
  142    HH   TYR  10           HH       TYR  10 -15.831   8.593  -2.308
  143    HN1  NH2  11           HN1      NH2  11 -17.135   2.670   3.784
  144    HN2  NH2  11           HN2      NH2  11 -17.903   1.102   3.890
  Start of MODEL   16
    1    H1   ASP   1           H1       ASP   1  -1.593   6.437  -1.025
    2    H2   ASP   1           H2       ASP   1  -0.774   7.483  -2.112
    3    H3   ASP   1           H3       ASP   1  -0.781   7.825  -0.431
    4    HA   ASP   1           HA       ASP   1   1.308   6.931  -1.122
    5    HB2  ASP   1           HB3      ASP   1  -0.451   5.197   0.622
    6    HB3  ASP   1           HB2      ASP   1   1.296   4.999   0.514
    7    H    ALA   2           H        ALA   2   2.524   5.158  -1.928
    8    HA   ALA   2           HA       ALA   2   0.978   3.353  -3.676
    9    HB1  ALA   2           HB1      ALA   2   2.302   3.848  -5.406
   10    HB2  ALA   2           HB2      ALA   2   3.766   3.741  -4.428
   11    HB3  ALA   2           HB3      ALA   2   2.828   5.234  -4.453
   12    H    GLU   3           H        GLU   3   2.532   1.442  -4.363
   13    HA   GLU   3           HA       GLU   3   2.814  -0.236  -2.177
   14    HB2  GLU   3           HB3      GLU   3   2.758  -0.799  -4.688
   15    HB3  GLU   3           HB2      GLU   3   4.495  -0.526  -4.657
   16    HG2  GLU   3           HG3      GLU   3   4.219  -2.836  -4.412
   17    HG3  GLU   3           HG2      GLU   3   4.589  -2.239  -2.795
   18    H    PHE   4           H        PHE   4   5.060   2.079  -3.500
   19    HA   PHE   4           HA       PHE   4   7.329   1.059  -2.058
   20    HB2  PHE   4           HB3      PHE   4   8.503   3.027  -2.885
   21    HB3  PHE   4           HB2      PHE   4   7.597   2.271  -4.192
   22    HD1  PHE   4           HD1      PHE   4   7.448   5.037  -1.721
   23    HD2  PHE   4           HD2      PHE   4   6.096   3.515  -5.458
   24    HE1  PHE   4           HE1      PHE   4   6.360   7.191  -2.200
   25    HE2  PHE   4           HE2      PHE   4   5.005   5.666  -5.944
   26    HZ   PHE   4           HZ       PHE   4   5.137   7.509  -4.314
   27    H    ARG   5           H        ARG   5   4.771   3.319  -1.450
   28    HA   ARG   5           HA       ARG   5   6.115   4.585   0.771
   29    HB2  ARG   5           HB3      ARG   5   4.547   5.863  -0.610
   30    HB3  ARG   5           HB2      ARG   5   3.250   4.763  -0.168
   31    HG2  ARG   5           HG3      ARG   5   3.112   6.831   1.090
   32    HG3  ARG   5           HG2      ARG   5   3.432   5.462   2.157
   33    HD2  ARG   5           HD3      ARG   5   5.751   6.056   2.315
   34    HD3  ARG   5           HD2      ARG   5   5.560   7.309   1.090
   35    HE   ARG   5           HE       ARG   5   3.821   8.073   3.005
   36   HH11  ARG   5          HH11      ARG   5   7.194   7.183   3.095
   37   HH12  ARG   5          HH12      ARG   5   7.559   8.216   4.435
   38   HH21  ARG   5          HH21      ARG   5   4.299   9.434   4.766
   39   HH22  ARG   5          HH22      ARG   5   5.916   9.494   5.384
   40    H    HIS   6           H        HIS   6   3.590   2.167   0.287
   41    HA   HIS   6           HA       HIS   6   2.883   1.915   3.028
   42    HB2  HIS   6           HB3      HIS   6   2.593  -0.155   0.844
   43    HB3  HIS   6           HB2      HIS   6   1.706  -0.100   2.363
   44    HD1  HIS   6           HD1      HIS   6   0.283   2.362   2.567
   45    HD2  HIS   6           HD2      HIS   6   1.180   0.807  -1.179
   46    HE1  HIS   6           HE1      HIS   6  -1.333   3.439   0.948
   47    H    HIS   7           H        HIS   7   5.131   0.207   0.923
   48    HA   HIS   7           HA       HIS   7   5.995  -1.481   3.141
   49    HB2  HIS   7           HB3      HIS   7   6.795  -1.505   0.224
   50    HB3  HIS   7           HB2      HIS   7   7.291  -2.687   1.431
   51    HD1  HIS   7           HD1      HIS   7   5.686  -4.607   1.888
   52    HD2  HIS   7           HD2      HIS   7   3.996  -1.589  -0.418
   53    HE1  HIS   7           HE1      HIS   7   3.466  -5.494   1.064
   54    H    SER   8           H        SER   8   7.311  -0.386   4.474
   55    HA   SER   8           HA       SER   8   9.898   0.417   3.473
   56    HB2  SER   8           HB3      SER   8   8.518   2.467   3.175
   57    HB3  SER   8           HB2      SER   8   8.165   2.449   4.903
   58    HG   SER   8           HG       SER   8  10.018   3.781   4.058
   59    H    GLY   9           H        GLY   9  11.487   0.346   5.039
   60    HA2  GLY   9           HA3      GLY   9  10.662  -0.035   7.825
   61    HA3  GLY   9           HA2      GLY   9  11.566  -1.329   7.054
   62    H    TYR  10           H        TYR  10  12.461  -0.023   9.345
   63    HA   TYR  10           HA       TYR  10  14.485   1.888   8.500
   64    HB2  TYR  10           HB3      TYR  10  13.677   0.815  11.205
   65    HB3  TYR  10           HB2      TYR  10  15.037   1.910  10.973
   66    HD1  TYR  10           HD1      TYR  10  11.391   1.592  10.952
   67    HD2  TYR  10           HD2      TYR  10  14.671   4.241  10.388
   68    HE1  TYR  10           HE1      TYR  10   9.857   3.510  11.083
   69    HE2  TYR  10           HE2      TYR  10  13.147   6.167  10.518
   70    HH   TYR  10           HH       TYR  10  10.505   6.340  11.789
   71    HN1  NH2  11           HN1      NH2  11  14.208  -1.536   9.081
   72    HN2  NH2  11           HN2      NH2  11  15.921  -1.891   9.065
   73    H1   ASP   1           H1       ASP   1   1.478  -6.400   1.284
   74    H2   ASP   1           H2       ASP   1   1.246  -7.489  -0.023
   75    H3   ASP   1           H3       ASP   1   0.674  -7.892   1.544
   76    HA   ASP   1           HA       ASP   1  -1.183  -7.246   0.392
   77    HB2  ASP   1           HB3      ASP   1  -0.059  -4.962   2.023
   78    HB3  ASP   1           HB2      ASP   1  -1.735  -5.045   1.491
   79    H    ALA   2           H        ALA   2  -2.321  -5.707  -0.967
   80    HA   ALA   2           HA       ALA   2  -0.494  -4.294  -2.801
   81    HB1  ALA   2           HB1      ALA   2  -2.439  -6.274  -3.321
   82    HB2  ALA   2           HB2      ALA   2  -1.452  -5.381  -4.479
   83    HB3  ALA   2           HB3      ALA   2  -3.034  -4.762  -4.006
   84    H    GLU   3           H        GLU   3  -1.891  -2.638  -4.157
   85    HA   GLU   3           HA       GLU   3  -2.438  -0.471  -2.542
   86    HB2  GLU   3           HB3      GLU   3  -2.064  -0.563  -5.078
   87    HB3  GLU   3           HB2      GLU   3  -3.788  -0.881  -5.202
   88    HG2  GLU   3           HG3      GLU   3  -3.555   1.421  -5.535
   89    HG3  GLU   3           HG2      GLU   3  -4.132   1.251  -3.878
   90    H    PHE   4           H        PHE   4  -4.600  -3.032  -3.589
   91    HA   PHE   4           HA       PHE   4  -6.974  -1.711  -2.691
   92    HB2  PHE   4           HB3      PHE   4  -8.080  -3.890  -3.047
   93    HB3  PHE   4           HB2      PHE   4  -7.140  -3.381  -4.444
   94    HD1  PHE   4           HD1      PHE   4  -7.388  -5.779  -1.694
   95    HD2  PHE   4           HD2      PHE   4  -5.172  -4.586  -5.124
   96    HE1  PHE   4           HE1      PHE   4  -6.225  -7.946  -1.693
   97    HE2  PHE   4           HE2      PHE   4  -4.003  -6.751  -5.127
   98    HZ   PHE   4           HZ       PHE   4  -4.530  -8.436  -3.410
   99    H    ARG   5           H        ARG   5  -4.576  -3.763  -1.235
  100    HA   ARG   5           HA       ARG   5  -6.152  -4.449   1.069
  101    HB2  ARG   5           HB3      ARG   5  -3.203  -4.621   0.472
  102    HB3  ARG   5           HB2      ARG   5  -3.890  -5.117   2.013
  103    HG2  ARG   5           HG3      ARG   5  -4.551  -6.270  -0.679
  104    HG3  ARG   5           HG2      ARG   5  -3.538  -7.017   0.554
  105    HD2  ARG   5           HD3      ARG   5  -5.558  -6.849   2.091
  106    HD3  ARG   5           HD2      ARG   5  -6.495  -6.484   0.645
  107    HE   ARG   5           HE       ARG   5  -6.409  -8.696   0.085
  108   HH11  ARG   5          HH11      ARG   5  -3.924  -8.054   2.449
  109   HH12  ARG   5          HH12      ARG   5  -3.501  -9.722   2.639
  110   HH21  ARG   5          HH21      ARG   5  -5.854 -10.889   0.333
  111   HH22  ARG   5          HH22      ARG   5  -4.595 -11.331   1.437
  112    H    HIS   6           H        HIS   6  -3.617  -2.122   0.317
  113    HA   HIS   6           HA       HIS   6  -3.457  -0.995   2.920
  114    HB2  HIS   6           HB3      HIS   6  -2.739   0.361   0.320
  115    HB3  HIS   6           HB2      HIS   6  -2.098   0.715   1.920
  116    HD1  HIS   6           HD1      HIS   6  -0.756  -1.545   2.985
  117    HD2  HIS   6           HD2      HIS   6  -1.121  -1.158  -1.134
  118    HE1  HIS   6           HE1      HIS   6   1.026  -3.031   1.969
  119    H    HIS   7           H        HIS   7  -5.261  -0.177   0.010
  120    HA   HIS   7           HA       HIS   7  -6.561   2.048   1.400
  121    HB2  HIS   7           HB3      HIS   7  -6.685   1.196  -1.501
  122    HB3  HIS   7           HB2      HIS   7  -7.469   2.621  -0.827
  123    HD1  HIS   7           HD1      HIS   7  -6.100   4.731  -0.827
  124    HD2  HIS   7           HD2      HIS   7  -3.773   1.323  -1.320
  125    HE1  HIS   7           HE1      HIS   7  -3.752   5.536  -1.308
  126    H    SER   8           H        SER   8  -8.668   2.032   1.984
  127    HA   SER   8           HA       SER   8 -10.109  -0.496   1.636
  128    HB2  SER   8           HB3      SER   8  -9.828   0.269   3.945
  129    HB3  SER   8           HB2      SER   8 -10.611   1.797   3.549
  130    HG   SER   8           HG       SER   8 -12.510   0.618   3.083
  131    H    GLY   9           H        GLY   9 -11.646  -0.623   0.151
  132    HA2  GLY   9           HA3      GLY   9 -13.562   1.487  -0.223
  133    HA3  GLY   9           HA2      GLY   9 -12.461   1.320  -1.583
  134    H    TYR  10           H        TYR  10 -15.341   0.273  -0.226
  135    HA   TYR  10           HA       TYR  10 -15.448  -1.998  -2.100
  136    HB2  TYR  10           HB3      TYR  10 -16.920  -3.169  -0.531
  137    HB3  TYR  10           HB2      TYR  10 -15.366  -2.812   0.216
  138    HD1  TYR  10           HD1      TYR  10 -15.196  -1.026   1.920
  139    HD2  TYR  10           HD2      TYR  10 -18.947  -2.221   0.309
  140    HE1  TYR  10           HE1      TYR  10 -16.345   0.079   3.792
  141    HE2  TYR  10           HE2      TYR  10 -20.107  -1.118   2.176
  142    HH   TYR  10           HH       TYR  10 -19.625  -0.415   4.486
  143    HN1  NH2  11           HN1      NH2  11 -17.690   0.072  -0.124
  144    HN2  NH2  11           HN2      NH2  11 -18.825   0.336  -1.429
  Start of MODEL   17
    1    H1   ASP   1           H1       ASP   1  -0.797   7.563  -1.910
    2    H2   ASP   1           H2       ASP   1  -0.626   8.011  -0.261
    3    H3   ASP   1           H3       ASP   1  -1.506   6.598  -0.683
    4    HA   ASP   1           HA       ASP   1   1.379   7.062  -1.046
    5    HB2  ASP   1           HB3      ASP   1  -0.261   5.357   0.839
    6    HB3  ASP   1           HB2      ASP   1   1.474   5.148   0.608
    7    H    ALA   2           H        ALA   2   2.528   5.209  -1.833
    8    HA   ALA   2           HA       ALA   2   0.865   3.407  -3.471
    9    HB1  ALA   2           HB1      ALA   2   3.525   3.640  -4.509
   10    HB2  ALA   2           HB2      ALA   2   2.816   5.243  -4.322
   11    HB3  ALA   2           HB3      ALA   2   1.988   4.021  -5.285
   12    H    GLU   3           H        GLU   3   2.318   1.457  -4.204
   13    HA   GLU   3           HA       GLU   3   2.725  -0.206  -2.059
   14    HB2  GLU   3           HB3      GLU   3   2.607  -0.782  -4.545
   15    HB3  GLU   3           HB2      GLU   3   4.329  -0.433  -4.599
   16    HG2  GLU   3           HG3      GLU   3   4.226  -2.736  -4.337
   17    HG3  GLU   3           HG2      GLU   3   4.548  -2.139  -2.709
   18    H    PHE   4           H        PHE   4   5.050   1.942  -3.602
   19    HA   PHE   4           HA       PHE   4   7.314   0.997  -2.168
   20    HB2  PHE   4           HB3      PHE   4   8.460   2.954  -3.028
   21    HB3  PHE   4           HB2      PHE   4   7.476   2.245  -4.304
   22    HD1  PHE   4           HD1      PHE   4   7.744   5.043  -1.929
   23    HD2  PHE   4           HD2      PHE   4   5.684   3.448  -5.292
   24    HE1  PHE   4           HE1      PHE   4   6.667   7.225  -2.298
   25    HE2  PHE   4           HE2      PHE   4   4.601   5.625  -5.667
   26    HZ   PHE   4           HZ       PHE   4   5.092   7.517  -4.170
   27    H    ARG   5           H        ARG   5   4.876   3.435  -1.559
   28    HA   ARG   5           HA       ARG   5   6.262   4.619   0.656
   29    HB2  ARG   5           HB3      ARG   5   4.634   5.881  -0.700
   30    HB3  ARG   5           HB2      ARG   5   3.354   4.814  -0.140
   31    HG2  ARG   5           HG3      ARG   5   3.332   6.918   1.064
   32    HG3  ARG   5           HG2      ARG   5   3.705   5.576   2.146
   33    HD2  ARG   5           HD3      ARG   5   6.085   6.125   2.000
   34    HD3  ARG   5           HD2      ARG   5   5.709   7.466   0.918
   35    HE   ARG   5           HE       ARG   5   5.403   7.402   3.779
   36   HH11  ARG   5          HH11      ARG   5   4.366   8.925   0.814
   37   HH12  ARG   5          HH12      ARG   5   3.867  10.387   1.593
   38   HH21  ARG   5          HH21      ARG   5   4.747   9.328   4.804
   39   HH22  ARG   5          HH22      ARG   5   4.084  10.617   3.858
   40    H    HIS   6           H        HIS   6   3.695   2.236   0.249
   41    HA   HIS   6           HA       HIS   6   3.079   1.960   3.007
   42    HB2  HIS   6           HB3      HIS   6   2.738  -0.113   0.834
   43    HB3  HIS   6           HB2      HIS   6   1.870  -0.034   2.364
   44    HD1  HIS   6           HD1      HIS   6   0.520   2.507   2.534
   45    HD2  HIS   6           HD2      HIS   6   1.247   0.762  -1.163
   46    HE1  HIS   6           HE1      HIS   6  -1.119   3.554   0.919
   47    H    HIS   7           H        HIS   7   5.142   0.142   0.790
   48    HA   HIS   7           HA       HIS   7   6.167  -1.468   2.998
   49    HB2  HIS   7           HB3      HIS   7   6.734  -1.612   0.031
   50    HB3  HIS   7           HB2      HIS   7   7.312  -2.755   1.238
   51    HD1  HIS   7           HD1      HIS   7   5.675  -4.578   1.999
   52    HD2  HIS   7           HD2      HIS   7   3.955  -1.743  -0.507
   53    HE1  HIS   7           HE1      HIS   7   3.419  -5.498   1.319
   54    H    SER   8           H        SER   8   8.230  -1.390   3.750
   55    HA   SER   8           HA       SER   8   9.873   0.861   2.812
   56    HB2  SER   8           HB3      SER   8   9.508  -0.452   5.475
   57    HB3  SER   8           HB2      SER   8  11.056   0.310   5.114
   58    HG   SER   8           HG       SER   8   8.592   1.648   4.746
   59    H    GLY   9           H        GLY   9  11.533   0.341   1.554
   60    HA2  GLY   9           HA3      GLY   9  13.482  -0.721   0.888
   61    HA3  GLY   9           HA2      GLY   9  13.319  -1.803   2.264
   62    H    TYR  10           H        TYR  10  13.976  -3.509   0.810
   63    HA   TYR  10           HA       TYR  10  12.424  -4.205  -1.467
   64    HB2  TYR  10           HB3      TYR  10  14.356  -5.838   0.193
   65    HB3  TYR  10           HB2      TYR  10  13.649  -6.380  -1.325
   66    HD1  TYR  10           HD1      TYR  10  16.098  -4.165   0.231
   67    HD2  TYR  10           HD2      TYR  10  14.322  -5.360  -3.445
   68    HE1  TYR  10           HE1      TYR  10  17.921  -3.065  -1.000
   69    HE2  TYR  10           HE2      TYR  10  16.139  -4.265  -4.687
   70    HH   TYR  10           HH       TYR  10  18.940  -3.540  -3.590
   71    HN1  NH2  11           HN1      NH2  11  12.386  -5.285   1.966
   72    HN2  NH2  11           HN2      NH2  11  10.888  -6.179   1.832
   73    H1   ASP   1           H1       ASP   1   1.460  -7.125   0.407
   74    H2   ASP   1           H2       ASP   1   0.681  -7.680   1.831
   75    H3   ASP   1           H3       ASP   1   1.085  -6.021   1.663
   76    HA   ASP   1           HA       ASP   1  -0.951  -7.572   0.224
   77    HB2  ASP   1           HB3      ASP   1  -1.349  -4.919   1.551
   78    HB3  ASP   1           HB2      ASP   1  -2.481  -6.250   1.346
   79    H    ALA   2           H        ALA   2  -2.361  -5.844  -1.024
   80    HA   ALA   2           HA       ALA   2  -0.496  -4.360  -2.759
   81    HB1  ALA   2           HB1      ALA   2  -1.429  -5.362  -4.503
   82    HB2  ALA   2           HB2      ALA   2  -3.026  -4.798  -4.015
   83    HB3  ALA   2           HB3      ALA   2  -2.404  -6.327  -3.394
   84    H    GLU   3           H        GLU   3  -1.813  -2.643  -4.082
   85    HA   GLU   3           HA       GLU   3  -2.410  -0.530  -2.412
   86    HB2  GLU   3           HB3      GLU   3  -1.887  -0.456  -4.883
   87    HB3  GLU   3           HB2      GLU   3  -3.568  -0.879  -5.176
   88    HG2  GLU   3           HG3      GLU   3  -3.674   1.387  -5.360
   89    HG3  GLU   3           HG2      GLU   3  -4.031   1.195  -3.645
   90    H    PHE   4           H        PHE   4  -4.582  -2.981  -3.710
   91    HA   PHE   4           HA       PHE   4  -6.975  -1.662  -2.928
   92    HB2  PHE   4           HB3      PHE   4  -8.098  -3.774  -3.380
   93    HB3  PHE   4           HB2      PHE   4  -6.945  -3.419  -4.662
   94    HD1  PHE   4           HD1      PHE   4  -7.724  -5.599  -1.831
   95    HD2  PHE   4           HD2      PHE   4  -4.978  -4.773  -4.973
   96    HE1  PHE   4           HE1      PHE   4  -6.707  -7.817  -1.519
   97    HE2  PHE   4           HE2      PHE   4  -3.953  -6.988  -4.666
   98    HZ   PHE   4           HZ       PHE   4  -4.819  -8.514  -2.938
   99    H    ARG   5           H        ARG   5  -4.771  -3.876  -1.348
  100    HA   ARG   5           HA       ARG   5  -6.490  -4.388   0.889
  101    HB2  ARG   5           HB3      ARG   5  -3.535  -4.809   0.449
  102    HB3  ARG   5           HB2      ARG   5  -4.354  -5.245   1.943
  103    HG2  ARG   5           HG3      ARG   5  -5.921  -6.446   0.065
  104    HG3  ARG   5           HG2      ARG   5  -4.314  -6.589  -0.645
  105    HD2  ARG   5           HD3      ARG   5  -3.548  -7.947   1.024
  106    HD3  ARG   5           HD2      ARG   5  -4.621  -7.246   2.234
  107    HE   ARG   5           HE       ARG   5  -5.114  -9.559   0.693
  108   HH11  ARG   5          HH11      ARG   5  -6.732  -6.731   1.944
  109   HH12  ARG   5          HH12      ARG   5  -8.282  -7.497   2.020
  110   HH21  ARG   5          HH21      ARG   5  -7.154 -10.569   0.793
  111   HH22  ARG   5          HH22      ARG   5  -8.522  -9.677   1.369
  112    H    HIS   6           H        HIS   6  -3.768  -2.244   0.235
  113    HA   HIS   6           HA       HIS   6  -3.597  -1.119   2.830
  114    HB2  HIS   6           HB3      HIS   6  -2.853   0.190   0.208
  115    HB3  HIS   6           HB2      HIS   6  -2.264   0.635   1.805
  116    HD1  HIS   6           HD1      HIS   6  -0.883  -1.532   3.006
  117    HD2  HIS   6           HD2      HIS   6  -1.172  -1.346  -1.132
  118    HE1  HIS   6           HE1      HIS   6   0.977  -2.994   2.094
  119    H    HIS   7           H        HIS   7  -5.370  -0.252  -0.077
  120    HA   HIS   7           HA       HIS   7  -6.681   1.951   1.348
  121    HB2  HIS   7           HB3      HIS   7  -6.690   1.251  -1.596
  122    HB3  HIS   7           HB2      HIS   7  -7.459   2.663  -0.879
  123    HD1  HIS   7           HD1      HIS   7  -6.051   4.733  -0.840
  124    HD2  HIS   7           HD2      HIS   7  -3.763   1.277  -1.182
  125    HE1  HIS   7           HE1      HIS   7  -3.661   5.491  -1.165
  126    H    SER   8           H        SER   8  -8.251   0.985   2.564
  127    HA   SER   8           HA       SER   8 -10.486  -0.160   1.087
  128    HB2  SER   8           HB3      SER   8  -9.096  -1.581   3.368
  129    HB3  SER   8           HB2      SER   8 -10.696  -2.020   2.768
  130    HG   SER   8           HG       SER   8  -9.811  -2.941   1.094
  131    H    GLY   9           H        GLY   9 -12.482  -0.193   2.318
  132    HA2  GLY   9           HA3      GLY   9 -13.378   0.374   4.632
  133    HA3  GLY   9           HA2      GLY   9 -12.453   1.856   4.444
  134    H    TYR  10           H        TYR  10 -15.050  -0.042   2.943
  135    HA   TYR  10           HA       TYR  10 -16.003   2.006   1.262
  136    HB2  TYR  10           HB3      TYR  10 -18.049   0.652   1.088
  137    HB3  TYR  10           HB2      TYR  10 -16.603  -0.340   0.923
  138    HD1  TYR  10           HD1      TYR  10 -15.995  -1.951   2.639
  139    HD2  TYR  10           HD2      TYR  10 -19.487   0.446   3.035
  140    HE1  TYR  10           HE1      TYR  10 -16.798  -3.430   4.433
  141    HE2  TYR  10           HE2      TYR  10 -20.300  -1.025   4.831
  142    HH   TYR  10           HH       TYR  10 -19.431  -3.934   5.361
  143    HN1  NH2  11           HN1      NH2  11 -16.352   1.489   4.707
  144    HN2  NH2  11           HN2      NH2  11 -17.534   2.749   4.981
  Start of MODEL   18
    1    H1   ASP   1           H1       ASP   1  -0.894   7.810  -0.412
    2    H2   ASP   1           H2       ASP   1  -1.625   6.274  -0.653
    3    H3   ASP   1           H3       ASP   1  -1.139   7.218  -2.002
    4    HA   ASP   1           HA       ASP   1   1.150   7.057  -1.239
    5    HB2  ASP   1           HB3      ASP   1  -0.144   5.165   0.737
    6    HB3  ASP   1           HB2      ASP   1   1.593   5.255   0.454
    7    H    ALA   2           H        ALA   2   2.481   5.203  -1.911
    8    HA   ALA   2           HA       ALA   2   0.946   3.321  -3.586
    9    HB1  ALA   2           HB1      ALA   2   3.695   3.715  -4.427
   10    HB2  ALA   2           HB2      ALA   2   2.773   5.219  -4.429
   11    HB3  ALA   2           HB3      ALA   2   2.200   3.832  -5.355
   12    H    GLU   3           H        GLU   3   2.512   1.418  -4.247
   13    HA   GLU   3           HA       GLU   3   2.864  -0.198  -2.035
   14    HB2  GLU   3           HB3      GLU   3   2.835  -0.766  -4.573
   15    HB3  GLU   3           HB2      GLU   3   4.576  -0.545  -4.474
   16    HG2  GLU   3           HG3      GLU   3   4.210  -2.845  -4.215
   17    HG3  GLU   3           HG2      GLU   3   4.553  -2.235  -2.597
   18    H    PHE   4           H        PHE   4   5.152   1.989  -3.563
   19    HA   PHE   4           HA       PHE   4   7.431   1.098  -2.112
   20    HB2  PHE   4           HB3      PHE   4   8.509   3.133  -2.927
   21    HB3  PHE   4           HB2      PHE   4   7.613   2.355  -4.227
   22    HD1  PHE   4           HD1      PHE   4   7.386   5.078  -1.715
   23    HD2  PHE   4           HD2      PHE   4   6.032   3.545  -5.447
   24    HE1  PHE   4           HE1      PHE   4   6.190   7.185  -2.142
   25    HE2  PHE   4           HE2      PHE   4   4.833   5.649  -5.879
   26    HZ   PHE   4           HZ       PHE   4   4.910   7.472  -4.225
   27    H    ARG   5           H        ARG   5   4.913   3.452  -1.529
   28    HA   ARG   5           HA       ARG   5   6.212   4.651   0.732
   29    HB2  ARG   5           HB3      ARG   5   4.623   5.926  -0.618
   30    HB3  ARG   5           HB2      ARG   5   3.344   4.794  -0.204
   31    HG2  ARG   5           HG3      ARG   5   3.010   5.703   1.828
   32    HG3  ARG   5           HG2      ARG   5   4.723   6.048   2.073
   33    HD2  ARG   5           HD3      ARG   5   3.089   7.591   0.087
   34    HD3  ARG   5           HD2      ARG   5   3.102   8.026   1.795
   35    HE   ARG   5           HE       ARG   5   5.749   7.784   0.905
   36   HH11  ARG   5          HH11      ARG   5   2.973   9.854   0.475
   37   HH12  ARG   5          HH12      ARG   5   3.920  11.261   0.127
   38   HH21  ARG   5          HH21      ARG   5   6.995   9.633   0.447
   39   HH22  ARG   5          HH22      ARG   5   6.203  11.135   0.110
   40    H    HIS   6           H        HIS   6   3.715   2.211   0.229
   41    HA   HIS   6           HA       HIS   6   3.044   1.885   2.972
   42    HB2  HIS   6           HB3      HIS   6   2.769  -0.129   0.733
   43    HB3  HIS   6           HB2      HIS   6   1.906  -0.146   2.266
   44    HD1  HIS   6           HD1      HIS   6   0.503   2.367   2.550
   45    HD2  HIS   6           HD2      HIS   6   1.218   0.761  -1.212
   46    HE1  HIS   6           HE1      HIS   6  -1.189   3.422   0.994
   47    H    HIS   7           H        HIS   7   5.220   0.184   0.775
   48    HA   HIS   7           HA       HIS   7   6.236  -1.427   2.996
   49    HB2  HIS   7           HB3      HIS   7   6.818  -1.633   0.036
   50    HB3  HIS   7           HB2      HIS   7   7.332  -2.773   1.275
   51    HD1  HIS   7           HD1      HIS   7   5.662  -4.577   1.952
   52    HD2  HIS   7           HD2      HIS   7   4.006  -1.654  -0.497
   53    HE1  HIS   7           HE1      HIS   7   3.388  -5.433   1.252
   54    H    SER   8           H        SER   8   8.298  -1.306   3.739
   55    HA   SER   8           HA       SER   8  10.053   0.722   2.520
   56    HB2  SER   8           HB3      SER   8   9.176   0.380   5.330
   57    HB3  SER   8           HB2      SER   8  10.884   0.747   5.094
   58    HG   SER   8           HG       SER   8   8.660   2.247   4.172
   59    H    GLY   9           H        GLY   9  11.461  -0.562   1.440
   60    HA2  GLY   9           HA3      GLY   9  13.393  -1.828   1.262
   61    HA3  GLY   9           HA2      GLY   9  13.343  -2.084   3.001
   62    H    TYR  10           H        TYR  10  14.089  -4.259   2.060
   63    HA   TYR  10           HA       TYR  10  12.187  -5.940   0.799
   64    HB2  TYR  10           HB3      TYR  10  14.716  -6.525   2.337
   65    HB3  TYR  10           HB2      TYR  10  13.743  -7.788   1.590
   66    HD1  TYR  10           HD1      TYR  10  16.009  -4.978   0.983
   67    HD2  TYR  10           HD2      TYR  10  13.655  -8.023  -0.830
   68    HE1  TYR  10           HE1      TYR  10  17.189  -4.615  -1.144
   69    HE2  TYR  10           HE2      TYR  10  14.828  -7.670  -2.962
   70    HH   TYR  10           HH       TYR  10  17.365  -6.634  -3.517
   71    HN1  NH2  11           HN1      NH2  11  10.475  -7.092   1.645
   72    HN2  NH2  11           HN2      NH2  11  10.205  -7.336   3.355
   73    H1   ASP   1           H1       ASP   1   0.823  -7.400   1.859
   74    H2   ASP   1           H2       ASP   1   1.250  -5.763   1.570
   75    H3   ASP   1           H3       ASP   1   1.518  -6.949   0.359
   76    HA   ASP   1           HA       ASP   1  -0.909  -7.338   0.353
   77    HB2  ASP   1           HB3      ASP   1  -1.185  -4.605   1.529
   78    HB3  ASP   1           HB2      ASP   1  -2.332  -5.939   1.516
   79    H    ALA   2           H        ALA   2  -2.350  -5.649  -0.919
   80    HA   ALA   2           HA       ALA   2  -0.552  -4.254  -2.792
   81    HB1  ALA   2           HB1      ALA   2  -2.530  -6.245  -3.260
   82    HB2  ALA   2           HB2      ALA   2  -1.476  -5.440  -4.421
   83    HB3  ALA   2           HB3      ALA   2  -3.049  -4.746  -4.030
   84    H    GLU   3           H        GLU   3  -1.888  -2.574  -4.124
   85    HA   GLU   3           HA       GLU   3  -2.504  -0.438  -2.498
   86    HB2  GLU   3           HB3      GLU   3  -2.065  -0.512  -5.034
   87    HB3  GLU   3           HB2      GLU   3  -3.794  -0.792  -5.191
   88    HG2  GLU   3           HG3      GLU   3  -3.512   1.508  -5.482
   89    HG3  GLU   3           HG2      GLU   3  -4.114   1.325  -3.834
   90    H    PHE   4           H        PHE   4  -4.671  -2.905  -3.782
   91    HA   PHE   4           HA       PHE   4  -7.065  -1.641  -2.916
   92    HB2  PHE   4           HB3      PHE   4  -8.168  -3.722  -3.454
   93    HB3  PHE   4           HB2      PHE   4  -6.983  -3.368  -4.705
   94    HD1  PHE   4           HD1      PHE   4  -7.885  -5.593  -1.960
   95    HD2  PHE   4           HD2      PHE   4  -4.981  -4.713  -4.941
   96    HE1  PHE   4           HE1      PHE   4  -6.894  -7.823  -1.646
   97    HE2  PHE   4           HE2      PHE   4  -3.983  -6.940  -4.634
   98    HZ   PHE   4           HZ       PHE   4  -4.941  -8.499  -2.985
   99    H    ARG   5           H        ARG   5  -4.755  -3.783  -1.423
  100    HA   ARG   5           HA       ARG   5  -6.434  -4.434   0.816
  101    HB2  ARG   5           HB3      ARG   5  -3.456  -4.755   0.419
  102    HB3  ARG   5           HB2      ARG   5  -4.369  -5.415   1.771
  103    HG2  ARG   5           HG3      ARG   5  -5.752  -6.651   0.063
  104    HG3  ARG   5           HG2      ARG   5  -4.543  -6.174  -1.128
  105    HD2  ARG   5           HD3      ARG   5  -3.997  -8.367  -0.369
  106    HD3  ARG   5           HD2      ARG   5  -2.819  -7.256   0.319
  107    HE   ARG   5           HE       ARG   5  -4.659  -7.420   2.271
  108   HH11  ARG   5          HH11      ARG   5  -2.982  -9.861   0.425
  109   HH12  ARG   5          HH12      ARG   5  -3.042 -11.038   1.692
  110   HH21  ARG   5          HH21      ARG   5  -4.741  -8.968   3.938
  111   HH22  ARG   5          HH22      ARG   5  -4.040 -10.532   3.687
  112    H    HIS   6           H        HIS   6  -3.812  -2.160   0.169
  113    HA   HIS   6           HA       HIS   6  -3.643  -1.158   2.833
  114    HB2  HIS   6           HB3      HIS   6  -2.869   0.246   0.270
  115    HB3  HIS   6           HB2      HIS   6  -2.310   0.640   1.890
  116    HD1  HIS   6           HD1      HIS   6  -0.863  -1.471   3.039
  117    HD2  HIS   6           HD2      HIS   6  -1.216  -1.309  -1.096
  118    HE1  HIS   6           HE1      HIS   6   1.012  -2.898   2.107
  119    H    HIS   7           H        HIS   7  -5.384  -0.203  -0.066
  120    HA   HIS   7           HA       HIS   7  -6.688   1.984   1.378
  121    HB2  HIS   7           HB3      HIS   7  -6.780   1.256  -1.557
  122    HB3  HIS   7           HB2      HIS   7  -7.499   2.688  -0.831
  123    HD1  HIS   7           HD1      HIS   7  -6.062   4.729  -0.931
  124    HD2  HIS   7           HD2      HIS   7  -3.832   1.227  -1.162
  125    HE1  HIS   7           HE1      HIS   7  -3.665   5.435  -1.318
  126    H    SER   8           H        SER   8  -8.599   1.650   2.289
  127    HA   SER   8           HA       SER   8 -10.278  -0.546   1.275
  128    HB2  SER   8           HB3      SER   8 -11.328  -0.549   3.520
  129    HB3  SER   8           HB2      SER   8  -9.592  -0.851   3.601
  130    HG   SER   8           HG       SER   8 -10.836   0.908   4.970
  131    H    GLY   9           H        GLY   9 -12.006   0.040   0.147
  132    HA2  GLY   9           HA3      GLY   9 -14.173   1.302   0.451
  133    HA3  GLY   9           HA2      GLY   9 -13.150   2.718   0.642
  134    H    TYR  10           H        TYR  10 -14.326   3.653  -1.128
  135    HA   TYR  10           HA       TYR  10 -14.134   2.450  -3.738
  136    HB2  TYR  10           HB3      TYR  10 -15.046   5.218  -2.921
  137    HB3  TYR  10           HB2      TYR  10 -15.243   4.506  -4.519
  138    HD1  TYR  10           HD1      TYR  10 -16.549   4.712  -1.153
  139    HD2  TYR  10           HD2      TYR  10 -16.775   2.557  -4.814
  140    HE1  TYR  10           HE1      TYR  10 -18.699   3.753  -0.449
  141    HE2  TYR  10           HE2      TYR  10 -18.927   1.592  -4.120
  142    HH   TYR  10           HH       TYR  10 -20.019   1.540  -1.064
  143    HN1  NH2  11           HN1      NH2  11 -13.274   3.915  -5.640
  144    HN2  NH2  11           HN2      NH2  11 -11.713   4.652  -5.354
  Start of MODEL   19
    1    H1   ASP   1           H1       ASP   1  -0.636   8.071  -0.568
    2    H2   ASP   1           H2       ASP   1  -1.531   6.607  -0.618
    3    H3   ASP   1           H3       ASP   1  -0.951   7.312  -2.072
    4    HA   ASP   1           HA       ASP   1   1.325   7.059  -1.087
    5    HB2  ASP   1           HB3      ASP   1  -0.351   5.287   0.700
    6    HB3  ASP   1           HB2      ASP   1   1.395   5.115   0.537
    7    H    ALA   2           H        ALA   2   2.552   5.285  -1.900
    8    HA   ALA   2           HA       ALA   2   1.002   3.503  -3.667
    9    HB1  ALA   2           HB1      ALA   2   3.563   3.526  -4.677
   10    HB2  ALA   2           HB2      ALA   2   3.325   5.190  -4.146
   11    HB3  ALA   2           HB3      ALA   2   2.200   4.461  -5.291
   12    H    GLU   3           H        GLU   3   2.493   1.547  -4.321
   13    HA   GLU   3           HA       GLU   3   2.695  -0.138  -2.142
   14    HB2  GLU   3           HB3      GLU   3   2.682  -0.717  -4.635
   15    HB3  GLU   3           HB2      GLU   3   4.417  -0.440  -4.595
   16    HG2  GLU   3           HG3      GLU   3   4.150  -2.750  -4.349
   17    HG3  GLU   3           HG2      GLU   3   4.505  -2.149  -2.729
   18    H    PHE   4           H        PHE   4   5.184   1.904  -3.586
   19    HA   PHE   4           HA       PHE   4   7.318   0.884  -2.007
   20    HB2  PHE   4           HB3      PHE   4   8.632   2.672  -2.885
   21    HB3  PHE   4           HB2      PHE   4   7.565   2.144  -4.181
   22    HD1  PHE   4           HD1      PHE   4   8.355   4.825  -1.834
   23    HD2  PHE   4           HD2      PHE   4   5.771   3.569  -4.973
   24    HE1  PHE   4           HE1      PHE   4   7.568   7.140  -2.107
   25    HE2  PHE   4           HE2      PHE   4   4.982   5.882  -5.253
   26    HZ   PHE   4           HZ       PHE   4   5.879   7.672  -3.818
   27    H    ARG   5           H        ARG   5   4.920   3.377  -1.568
   28    HA   ARG   5           HA       ARG   5   6.185   4.608   0.684
   29    HB2  ARG   5           HB3      ARG   5   4.558   5.768  -0.805
   30    HB3  ARG   5           HB2      ARG   5   3.289   4.731  -0.168
   31    HG2  ARG   5           HG3      ARG   5   3.150   6.807   0.961
   32    HG3  ARG   5           HG2      ARG   5   3.805   5.633   2.103
   33    HD2  ARG   5           HD3      ARG   5   5.938   6.545   2.008
   34    HD3  ARG   5           HD2      ARG   5   5.637   7.332   0.459
   35    HE   ARG   5           HE       ARG   5   3.902   8.534   2.195
   36   HH11  ARG   5          HH11      ARG   5   7.359   8.066   2.095
   37   HH12  ARG   5          HH12      ARG   5   7.707   9.528   2.953
   38   HH21  ARG   5          HH21      ARG   5   4.358  10.458   3.322
   39   HH22  ARG   5          HH22      ARG   5   6.003  10.887   3.651
   40    H    HIS   6           H        HIS   6   3.664   2.185   0.220
   41    HA   HIS   6           HA       HIS   6   2.977   1.934   2.970
   42    HB2  HIS   6           HB3      HIS   6   2.656  -0.111   0.766
   43    HB3  HIS   6           HB2      HIS   6   1.791  -0.082   2.300
   44    HD1  HIS   6           HD1      HIS   6   0.418   2.431   2.552
   45    HD2  HIS   6           HD2      HIS   6   1.170   0.832  -1.205
   46    HE1  HIS   6           HE1      HIS   6  -1.218   3.534   0.970
   47    H    HIS   7           H        HIS   7   5.108   0.129   0.810
   48    HA   HIS   7           HA       HIS   7   6.043  -1.518   3.027
   49    HB2  HIS   7           HB3      HIS   7   6.723  -1.595   0.080
   50    HB3  HIS   7           HB2      HIS   7   7.281  -2.752   1.283
   51    HD1  HIS   7           HD1      HIS   7   5.691  -4.653   1.887
   52    HD2  HIS   7           HD2      HIS   7   3.918  -1.722  -0.469
   53    HE1  HIS   7           HE1      HIS   7   3.452  -5.577   1.159
   54    H    SER   8           H        SER   8   8.064  -1.440   3.886
   55    HA   SER   8           HA       SER   8   9.792   0.766   2.976
   56    HB2  SER   8           HB3      SER   8   8.903   1.150   5.222
   57    HB3  SER   8           HB2      SER   8   9.511  -0.420   5.748
   58    HG   SER   8           HG       SER   8  11.046   1.807   4.891
   59    H    GLY   9           H        GLY   9  11.656   0.184   2.088
   60    HA2  GLY   9           HA3      GLY   9  12.697  -2.513   2.674
   61    HA3  GLY   9           HA2      GLY   9  12.963  -1.645   1.172
   62    H    TYR  10           H        TYR  10  14.677  -2.791   3.502
   63    HA   TYR  10           HA       TYR  10  16.663  -2.311   4.498
   64    HB2  TYR  10           HB3      TYR  10  16.652  -0.432   2.157
   65    HB3  TYR  10           HB2      TYR  10  17.976  -0.395   3.316
   66    HD1  TYR  10           HD1      TYR  10  16.039  -2.958   1.395
   67    HD2  TYR  10           HD2      TYR  10  19.841  -1.627   2.765
   68    HE1  TYR  10           HE1      TYR  10  17.112  -4.830   0.216
   69    HE2  TYR  10           HE2      TYR  10  20.924  -3.495   1.589
   70    HH   TYR  10           HH       TYR  10  19.650  -6.111   0.719
   71    HN1  NH2  11           HN1      NH2  11  18.052  -0.216   5.390
   72    HN2  NH2  11           HN2      NH2  11  17.049   0.906   6.283
   73    H1   ASP   1           H1       ASP   1   0.748  -7.972   1.372
   74    H2   ASP   1           H2       ASP   1   1.387  -6.381   1.292
   75    H3   ASP   1           H3       ASP   1   1.400  -7.384  -0.100
   76    HA   ASP   1           HA       ASP   1  -1.080  -7.455   0.140
   77    HB2  ASP   1           HB3      ASP   1  -0.282  -5.239   2.017
   78    HB3  ASP   1           HB2      ASP   1  -1.861  -5.256   1.238
   79    H    ALA   2           H        ALA   2  -2.328  -5.819  -1.108
   80    HA   ALA   2           HA       ALA   2  -0.531  -4.326  -2.902
   81    HB1  ALA   2           HB1      ALA   2  -1.522  -5.371  -4.587
   82    HB2  ALA   2           HB2      ALA   2  -3.077  -4.696  -4.100
   83    HB3  ALA   2           HB3      ALA   2  -2.547  -6.246  -3.449
   84    H    GLU   3           H        GLU   3  -1.837  -2.548  -4.120
   85    HA   GLU   3           HA       GLU   3  -2.375  -0.480  -2.380
   86    HB2  GLU   3           HB3      GLU   3  -1.940  -0.375  -4.885
   87    HB3  GLU   3           HB2      GLU   3  -3.651  -0.715  -5.100
   88    HG2  GLU   3           HG3      GLU   3  -3.594   1.576  -5.238
   89    HG3  GLU   3           HG2      GLU   3  -3.996   1.323  -3.540
   90    H    PHE   4           H        PHE   4  -4.610  -2.856  -3.711
   91    HA   PHE   4           HA       PHE   4  -6.966  -1.561  -2.780
   92    HB2  PHE   4           HB3      PHE   4  -8.136  -3.572  -3.377
   93    HB3  PHE   4           HB2      PHE   4  -6.922  -3.267  -4.614
   94    HD1  PHE   4           HD1      PHE   4  -7.980  -5.467  -1.910
   95    HD2  PHE   4           HD2      PHE   4  -4.976  -4.706  -4.827
   96    HE1  PHE   4           HE1      PHE   4  -7.108  -7.746  -1.600
   97    HE2  PHE   4           HE2      PHE   4  -4.097  -6.984  -4.519
   98    HZ   PHE   4           HZ       PHE   4  -5.163  -8.507  -2.904
   99    H    ARG   5           H        ARG   5  -4.659  -3.754  -1.378
  100    HA   ARG   5           HA       ARG   5  -6.267  -4.499   0.874
  101    HB2  ARG   5           HB3      ARG   5  -3.294  -4.638   0.372
  102    HB3  ARG   5           HB2      ARG   5  -4.070  -5.283   1.811
  103    HG2  ARG   5           HG3      ARG   5  -4.734  -6.155  -0.985
  104    HG3  ARG   5           HG2      ARG   5  -3.552  -6.960   0.042
  105    HD2  ARG   5           HD3      ARG   5  -6.357  -6.497   0.987
  106    HD3  ARG   5           HD2      ARG   5  -5.957  -7.884  -0.026
  107    HE   ARG   5           HE       ARG   5  -4.136  -7.883   2.054
  108   HH11  ARG   5          HH11      ARG   5  -7.599  -8.134   1.693
  109   HH12  ARG   5          HH12      ARG   5  -7.801  -9.114   3.107
  110   HH21  ARG   5          HH21      ARG   5  -4.399  -9.174   3.910
  111   HH22  ARG   5          HH22      ARG   5  -5.984  -9.704   4.366
  112    H    HIS   6           H        HIS   6  -3.683  -2.173   0.268
  113    HA   HIS   6           HA       HIS   6  -3.594  -1.144   2.921
  114    HB2  HIS   6           HB3      HIS   6  -2.736   0.273   0.397
  115    HB3  HIS   6           HB2      HIS   6  -2.155   0.564   2.032
  116    HD1  HIS   6           HD1      HIS   6  -0.772  -1.618   3.076
  117    HD2  HIS   6           HD2      HIS   6  -1.211  -1.361  -1.045
  118    HE1  HIS   6           HE1      HIS   6   1.003  -3.125   2.073
  119    H    HIS   7           H        HIS   7  -5.239  -0.187  -0.040
  120    HA   HIS   7           HA       HIS   7  -6.469   2.100   1.274
  121    HB2  HIS   7           HB3      HIS   7  -6.644   1.086  -1.570
  122    HB3  HIS   7           HB2      HIS   7  -7.439   2.541  -0.980
  123    HD1  HIS   7           HD1      HIS   7  -6.141   4.617  -1.436
  124    HD2  HIS   7           HD2      HIS   7  -3.680   1.287  -1.070
  125    HE1  HIS   7           HE1      HIS   7  -3.785   5.422  -1.876
  126    H    SER   8           H        SER   8  -8.613   2.298   1.741
  127    HA   SER   8           HA       SER   8 -10.094  -0.140   2.095
  128    HB2  SER   8           HB3      SER   8 -10.888   2.739   2.607
  129    HB3  SER   8           HB2      SER   8 -11.806   1.323   3.119
  130    HG   SER   8           HG       SER   8  -9.850   0.705   4.287
  131    H    GLY   9           H        GLY   9 -12.141  -0.631   1.203
  132    HA2  GLY   9           HA3      GLY   9 -13.911  -0.394  -0.323
  133    HA3  GLY   9           HA2      GLY   9 -13.080   0.980  -1.040
  134    H    TYR  10           H        TYR  10 -13.154   0.350  -3.153
  135    HA   TYR  10           HA       TYR  10 -11.962  -2.249  -3.830
  136    HB2  TYR  10           HB3      TYR  10 -13.630  -0.401  -5.548
  137    HB3  TYR  10           HB2      TYR  10 -13.044  -1.993  -6.014
  138    HD1  TYR  10           HD1      TYR  10 -15.474  -0.157  -3.990
  139    HD2  TYR  10           HD2      TYR  10 -14.062  -4.009  -5.111
  140    HE1  TYR  10           HE1      TYR  10 -17.512  -1.168  -3.057
  141    HE2  TYR  10           HE2      TYR  10 -16.096  -5.033  -4.182
  142    HH   TYR  10           HH       TYR  10 -18.145  -3.497  -2.113
  143    HN1  NH2  11           HN1      NH2  11 -12.166   0.702  -5.874
  144    HN2  NH2  11           HN2      NH2  11 -10.441   0.839  -6.128
  Start of MODEL   20
    1    H1   ASP   1           H1       ASP   1  -0.674   7.821  -1.280
    2    H2   ASP   1           H2       ASP   1  -0.587   8.025   0.422
    3    H3   ASP   1           H3       ASP   1  -1.447   6.696  -0.242
    4    HA   ASP   1           HA       ASP   1   1.449   7.172  -0.473
    5    HB2  ASP   1           HB3      ASP   1  -0.170   5.252   1.221
    6    HB3  ASP   1           HB2      ASP   1   1.586   5.226   1.074
    7    H    ALA   2           H        ALA   2   2.584   5.351  -1.378
    8    HA   ALA   2           HA       ALA   2   0.914   3.727  -3.188
    9    HB1  ALA   2           HB1      ALA   2   2.840   5.593  -3.894
   10    HB2  ALA   2           HB2      ALA   2   2.152   4.346  -4.933
   11    HB3  ALA   2           HB3      ALA   2   3.657   4.041  -4.067
   12    H    GLU   3           H        GLU   3   2.467   1.856  -4.086
   13    HA   GLU   3           HA       GLU   3   2.730  -0.004  -2.048
   14    HB2  GLU   3           HB3      GLU   3   2.694  -0.318  -4.624
   15    HB3  GLU   3           HB2      GLU   3   4.441  -0.143  -4.511
   16    HG2  GLU   3           HG3      GLU   3   4.263  -2.403  -4.375
   17    HG3  GLU   3           HG2      GLU   3   4.173  -1.993  -2.663
   18    H    PHE   4           H        PHE   4   5.109   2.230  -3.361
   19    HA   PHE   4           HA       PHE   4   7.336   1.137  -1.974
   20    HB2  PHE   4           HB3      PHE   4   8.483   3.220  -2.580
   21    HB3  PHE   4           HB2      PHE   4   7.618   2.551  -3.959
   22    HD1  PHE   4           HD1      PHE   4   7.432   5.127  -1.305
   23    HD2  PHE   4           HD2      PHE   4   6.010   3.813  -5.093
   24    HE1  PHE   4           HE1      PHE   4   6.276   7.276  -1.610
   25    HE2  PHE   4           HE2      PHE   4   4.850   5.960  -5.407
   26    HZ   PHE   4           HZ       PHE   4   4.981   7.695  -3.665
   27    H    ARG   5           H        ARG   5   4.859   3.461  -1.181
   28    HA   ARG   5           HA       ARG   5   6.202   4.362   1.214
   29    HB2  ARG   5           HB3      ARG   5   4.725   5.848  -0.145
   30    HB3  ARG   5           HB2      ARG   5   3.356   4.857   0.338
   31    HG2  ARG   5           HG3      ARG   5   3.132   6.011   2.208
   32    HG3  ARG   5           HG2      ARG   5   4.795   5.647   2.669
   33    HD2  ARG   5           HD3      ARG   5   4.093   7.837   0.732
   34    HD3  ARG   5           HD2      ARG   5   4.172   8.102   2.474
   35    HE   ARG   5           HE       ARG   5   6.548   6.873   1.578
   36   HH11  ARG   5          HH11      ARG   5   4.877   9.935   1.492
   37   HH12  ARG   5          HH12      ARG   5   6.331  10.866   1.354
   38   HH21  ARG   5          HH21      ARG   5   8.460   8.096   1.395
   39   HH22  ARG   5          HH22      ARG   5   8.366   9.822   1.298
   40    H    HIS   6           H        HIS   6   3.563   2.197   0.350
   41    HA   HIS   6           HA       HIS   6   2.612   1.680   2.947
   42    HB2  HIS   6           HB3      HIS   6   2.626  -0.297   0.663
   43    HB3  HIS   6           HB2      HIS   6   1.496  -0.223   2.011
   44    HD1  HIS   6           HD1      HIS   6   0.771   2.817   1.813
   45    HD2  HIS   6           HD2      HIS   6   0.943   0.173  -1.385
   46    HE1  HIS   6           HE1      HIS   6  -0.699   3.793  -0.000
   47    H    HIS   7           H        HIS   7   5.142   0.214   0.999
   48    HA   HIS   7           HA       HIS   7   5.878  -1.537   3.238
   49    HB2  HIS   7           HB3      HIS   7   6.782  -1.587   0.350
   50    HB3  HIS   7           HB2      HIS   7   7.245  -2.751   1.588
   51    HD1  HIS   7           HD1      HIS   7   5.674  -4.707   1.948
   52    HD2  HIS   7           HD2      HIS   7   3.984  -1.669  -0.332
   53    HE1  HIS   7           HE1      HIS   7   3.471  -5.601   1.086
   54    H    SER   8           H        SER   8   8.325  -1.904   3.408
   55    HA   SER   8           HA       SER   8   9.695   0.700   3.240
   56    HB2  SER   8           HB3      SER   8   9.182   0.120   5.564
   57    HB3  SER   8           HB2      SER   8   9.995  -1.432   5.368
   58    HG   SER   8           HG       SER   8  11.925  -0.222   4.920
   59    H    GLY   9           H        GLY   9  11.600   0.757   2.211
   60    HA2  GLY   9           HA3      GLY   9  13.373  -1.477   2.066
   61    HA3  GLY   9           HA2      GLY   9  12.501  -1.253   0.557
   62    H    TYR  10           H        TYR  10  14.989  -1.043   0.094
   63    HA   TYR  10           HA       TYR  10  16.136   1.524   0.667
   64    HB2  TYR  10           HB3      TYR  10  16.983  -0.654  -1.253
   65    HB3  TYR  10           HB2      TYR  10  17.929   0.787  -0.896
   66    HD1  TYR  10           HD1      TYR  10  16.773  -2.444   0.376
   67    HD2  TYR  10           HD2      TYR  10  19.060   1.037   1.243
   68    HE1  TYR  10           HE1      TYR  10  17.802  -3.602   2.286
   69    HE2  TYR  10           HE2      TYR  10  20.097  -0.111   3.153
   70    HH   TYR  10           HH       TYR  10  20.530  -2.376   3.926
   71    HN1  NH2  11           HN1      NH2  11  14.096   0.202  -1.875
   72    HN2  NH2  11           HN2      NH2  11  14.135   1.613  -2.908
   73    H1   ASP   1           H1       ASP   1   0.796  -7.366   2.244
   74    H2   ASP   1           H2       ASP   1   0.950  -5.677   1.975
   75    H3   ASP   1           H3       ASP   1   1.607  -6.792   0.846
   76    HA   ASP   1           HA       ASP   1  -0.681  -7.627   0.504
   77    HB2  ASP   1           HB3      ASP   1  -1.453  -5.000   1.771
   78    HB3  ASP   1           HB2      ASP   1  -2.503  -6.320   1.269
   79    H    ALA   2           H        ALA   2  -2.325  -5.886  -0.723
   80    HA   ALA   2           HA       ALA   2  -0.540  -4.534  -2.642
   81    HB1  ALA   2           HB1      ALA   2  -2.629  -6.435  -3.017
   82    HB2  ALA   2           HB2      ALA   2  -1.571  -5.701  -4.222
   83    HB3  ALA   2           HB3      ALA   2  -3.092  -4.921  -3.792
   84    H    GLU   3           H        GLU   3  -1.832  -2.812  -3.943
   85    HA   GLU   3           HA       GLU   3  -2.331  -0.646  -2.301
   86    HB2  GLU   3           HB3      GLU   3  -1.827  -0.616  -4.770
   87    HB3  GLU   3           HB2      GLU   3  -3.519  -1.012  -5.049
   88    HG2  GLU   3           HG3      GLU   3  -4.053   1.126  -4.929
   89    HG3  GLU   3           HG2      GLU   3  -3.416   1.207  -3.286
   90    H    PHE   4           H        PHE   4  -4.595  -3.041  -3.539
   91    HA   PHE   4           HA       PHE   4  -6.933  -1.630  -2.754
   92    HB2  PHE   4           HB3      PHE   4  -8.147  -3.640  -3.253
   93    HB3  PHE   4           HB2      PHE   4  -6.894  -3.445  -4.473
   94    HD1  PHE   4           HD1      PHE   4  -8.117  -5.469  -1.714
   95    HD2  PHE   4           HD2      PHE   4  -4.952  -4.929  -4.507
   96    HE1  PHE   4           HE1      PHE   4  -7.324  -7.750  -1.249
   97    HE2  PHE   4           HE2      PHE   4  -4.153  -7.210  -4.046
   98    HZ   PHE   4           HZ       PHE   4  -5.339  -8.624  -2.417
   99    H    ARG   5           H        ARG   5  -4.751  -3.813  -1.136
  100    HA   ARG   5           HA       ARG   5  -6.494  -4.269   1.108
  101    HB2  ARG   5           HB3      ARG   5  -3.551  -4.791   0.699
  102    HB3  ARG   5           HB2      ARG   5  -4.426  -5.233   2.158
  103    HG2  ARG   5           HG3      ARG   5  -5.976  -6.340   0.209
  104    HG3  ARG   5           HG2      ARG   5  -4.353  -6.524  -0.456
  105    HD2  ARG   5           HD3      ARG   5  -3.662  -7.899   1.258
  106    HD3  ARG   5           HD2      ARG   5  -4.846  -7.251   2.394
  107    HE   ARG   5           HE       ARG   5  -6.016  -8.695   0.201
  108   HH11  ARG   5          HH11      ARG   5  -4.629  -8.972   3.392
  109   HH12  ARG   5          HH12      ARG   5  -5.445 -10.456   3.753
  110   HH21  ARG   5          HH21      ARG   5  -7.091 -10.644   0.675
  111   HH22  ARG   5          HH22      ARG   5  -6.843 -11.406   2.211
  112    H    HIS   6           H        HIS   6  -3.719  -2.213   0.399
  113    HA   HIS   6           HA       HIS   6  -3.464  -1.090   2.987
  114    HB2  HIS   6           HB3      HIS   6  -2.742   0.220   0.360
  115    HB3  HIS   6           HB2      HIS   6  -2.088   0.610   1.946
  116    HD1  HIS   6           HD1      HIS   6  -0.828  -1.715   3.060
  117    HD2  HIS   6           HD2      HIS   6  -1.083  -1.264  -1.059
  118    HE1  HIS   6           HE1      HIS   6   0.972  -3.199   2.065
  119    H    HIS   7           H        HIS   7  -5.278  -0.173   0.122
  120    HA   HIS   7           HA       HIS   7  -6.440   2.115   1.524
  121    HB2  HIS   7           HB3      HIS   7  -6.637   1.253  -1.368
  122    HB3  HIS   7           HB2      HIS   7  -7.368   2.707  -0.697
  123    HD1  HIS   7           HD1      HIS   7  -5.951   4.769  -0.813
  124    HD2  HIS   7           HD2      HIS   7  -3.701   1.287  -1.115
  125    HE1  HIS   7           HE1      HIS   7  -3.575   5.494  -1.284
  126    H    SER   8           H        SER   8  -8.468   2.133   2.276
  127    HA   SER   8           HA       SER   8 -10.008  -0.297   2.204
  128    HB2  SER   8           HB3      SER   8 -10.433   2.391   3.509
  129    HB3  SER   8           HB2      SER   8 -11.644   1.110   3.575
  130    HG   SER   8           HG       SER   8  -9.548   1.414   5.133
  131    H    GLY   9           H        GLY   9 -12.345  -0.279   1.668
  132    HA2  GLY   9           HA3      GLY   9 -13.779   1.543   0.271
  133    HA3  GLY   9           HA2      GLY   9 -12.712   0.875  -0.955
  134    H    TYR  10           H        TYR  10 -14.278  -0.750   1.779
  135    HA   TYR  10           HA       TYR  10 -15.505  -2.602  -0.143
  136    HB2  TYR  10           HB3      TYR  10 -15.710  -4.147   1.786
  137    HB3  TYR  10           HB2      TYR  10 -14.042  -3.682   1.466
  138    HD1  TYR  10           HD1      TYR  10 -12.821  -2.270   3.021
  139    HD2  TYR  10           HD2      TYR  10 -16.851  -3.392   3.796
  140    HE1  TYR  10           HE1      TYR  10 -12.569  -1.539   5.356
  141    HE2  TYR  10           HE2      TYR  10 -16.610  -2.664   6.132
  142    HH   TYR  10           HH       TYR  10 -14.042  -2.358   7.708
  143    HN1  NH2  11           HN1      NH2  11 -16.253  -0.679   2.820
  144    HN2  NH2  11           HN2      NH2  11 -17.986  -0.700   2.581