*HEADER    LIPID BINDING PROTEIN                   20-FEB-04   1VAZ              
*TITLE     SOLUTION STRUCTURES OF THE P47 SEP DOMAIN                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NSFL1 COFACTOR P47;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: P47 SEP DOMAIN (RESIDUES 1-76);                            
*COMPND   5 SYNONYM: P97 COFACTOR P47, XY BODY-ASSOCIATED PROTEIN XY40;          
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   3 ORGANISM_COMMON: RAT;                                                
*SOURCE   4 TISSUE: LIVER;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: ROSETTA;                                   
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PQE30                                     
*KEYWDS    BETA-BETA-BETA-ALPHA-ALPHA-BETA, NOVEL FOLD                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    X.M.YUAN, P.SIMPSON, C.MCKEOWN, H.KONDO, U.UCHIYAMA,                  
*AUTHOR   2 R.WALLIS, I.DREVENY, C.KEETCH, X.D.ZHANG, C.ROBINSON,                
*AUTHOR   3 P.FREEMONT, S.MATTHEWS                                               
*REVDAT   1   06-APR-04 1VAZ    0                                                

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assign ( resid   39 and name   hn ) ( resid   39 and name  hd# ) 0.0 0.0 5.0
assign ( resid   39 and name   hn ) ( resid   40 and name   hn ) 0.0 0.0 2.8
assign ( resid   40 and name   hn ) ( resid   39 and name   ha ) 0.0 0.0 3.5
assign ( resid   40 and name   hn ) ( resid   39 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   40 and name   hn ) ( resid   39 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   40 and name   hn ) ( resid   39 and name  hd# ) 0.0 0.0 5.0
assign ( resid   40 and name   hn ) ( resid   40 and name   ha ) 0.0 0.0 2.8
assign ( resid   40 and name   hn ) ( resid   40 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   40 and name   hn ) ( resid   40 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   40 and name   hn ) ( resid   40 and name hd1# ) 0.0 0.0 3.5
assign ( resid   40 and name   hn ) ( resid   40 and name hd2# ) 0.0 0.0 3.5
assign ( resid   40 and name   hn ) ( resid   41 and name   hn ) 0.0 0.0 2.8
assign ( resid   41 and name   hn ) ( resid   40 and name   ha ) 0.0 0.0 3.5
assign ( resid   41 and name   hn ) ( resid   40 and name   hn ) 0.0 0.0 2.8
assign ( resid   41 and name   hn ) ( resid   40 and name  hb1 ) 0.0 0.0 3.5  !r
assign ( resid   41 and name   hn ) ( resid   40 and name  hb2 ) 0.0 0.0 3.5  !r
assign ( resid   41 and name   hn ) ( resid   41 and name   ha ) 0.0 0.0 2.8
assign ( resid   41 and name   hn ) ( resid   41 and name  hb# ) 0.0 0.0 3.5
assign ( resid   41 and name   hn ) ( resid   41 and name  hg# ) 0.0 0.0 3.5
assign ( resid   41 and name   hn ) ( resid   42 and name   hn ) 0.0 0.0 2.8
assign ( resid   42 and name   hn ) ( resid   41 and name   ha ) 0.0 0.0 3.5
assign ( resid   42 and name   hn ) ( resid   41 and name  hb# ) 0.0 0.0 3.5
assign ( resid   42 and name   hn ) ( resid   41 and name  hg# ) 0.0 0.0 3.5
assign ( resid   42 and name   hn ) ( resid   42 and name   ha ) 0.0 0.0 2.8
assign ( resid   42 and name   hn ) ( resid   42 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   42 and name   hn ) ( resid   42 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   42 and name   hn ) ( resid   43 and name   hn ) 0.0 0.0 2.8
assign ( resid   43 and name   hn ) ( resid   42 and name   hn ) 0.0 0.0 2.8
assign ( resid   43 and name   hn ) ( resid   42 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   43 and name   hn ) ( resid   43 and name   ha ) 0.0 0.0 2.8
assign ( resid   43 and name   hn ) ( resid   42 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   43 and name   hn ) ( resid   42 and name   ha ) 0.0 0.0 3.5
assign ( resid   43 and name   hn ) ( resid   43 and name   hb ) 0.0 0.0 3.5
assign ( resid   43 and name   hn ) ( resid   43 and name hd1# ) 0.0 0.0 5.0
assign ( resid   43 and name   hn ) ( resid   43 and name hg11 ) 0.0 0.0 3.5
assign ( resid   43 and name   hn ) ( resid   43 and name hg12 ) 0.0 0.0 3.5
assign ( resid   43 and name   hn ) ( resid   43 and name hg2# ) 0.0 0.0 3.5
assign ( resid   43 and name   hn ) ( resid   44 and name   hn ) 0.0 0.0 2.8
assign ( resid   44 and name   hn ) ( resid   42 and name   hn ) 0.0 0.0 5.0
assign ( resid   44 and name   hn ) ( resid   42 and name   ha ) 0.0 0.0 5.0
assign ( resid   44 and name   hn ) ( resid   43 and name   ha ) 0.0 0.0 3.5
assign ( resid   44 and name   hn ) ( resid   43 and name hg11 ) 0.0 0.0 5.0
assign ( resid   44 and name   hn ) ( resid   43 and name hg12 ) 0.0 0.0 5.0
assign ( resid   44 and name   hn ) ( resid   43 and name hg2# ) 0.0 0.0 5.0
assign ( resid   44 and name   hn ) ( resid   44 and name   ha ) 0.0 0.0 2.8
assign ( resid   44 and name   hn ) ( resid   44 and name  hb# ) 0.0 0.0 3.5
assign ( resid   44 and name   hn ) ( resid   44 and name  hd# ) 0.0 0.0 5.0
assign ( resid   44 and name   hn ) ( resid   44 and name  hg# ) 0.0 0.0 3.5
assign ( resid   44 and name   hn ) ( resid   45 and name   hn ) 0.0 0.0 2.8
assign ( resid   44 and name   he ) ( resid   44 and name  hg1 ) 0.0 0.0 5.0
assign ( resid   44 and name   he ) ( resid   44 and name  hg2 ) 0.0 0.0 5.0
assign ( resid   44 and name   he ) ( resid   44 and name  hb# ) 0.0 0.0 5.0
assign ( resid   44 and name   he ) ( resid   44 and name  hd# ) 0.0 0.0 2.8
assign ( resid   45 and name   hn ) ( resid   42 and name   ha ) 0.0 0.0 3.5
assign ( resid   45 and name   hn ) ( resid   43 and name   ha ) 0.0 0.0 5.0
assign ( resid   45 and name   hn ) ( resid   44 and name   ha ) 0.0 0.0 3.5
assign ( resid   45 and name   hn ) ( resid   44 and name   hn ) 0.0 0.0 2.8
assign ( resid   45 and name   hn ) ( resid   45 and name   ha ) 0.0 0.0 2.8
assign ( resid   45 and name   hn ) ( resid   45 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   45 and name   hn ) ( resid   45 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   45 and name   hn ) ( resid   45 and name  hg# ) 0.0 0.0 3.5
assign ( resid   45 and name   hn ) ( resid   45 and name  hd# ) 0.0 0.0 5.0
assign ( resid   45 and name   hn ) ( resid   46 and name   hn ) 0.0 0.0 2.8
assign ( resid   45 and name   he ) ( resid   45 and name  hg1 ) 0.0 0.0 3.5
assign ( resid   45 and name   he ) ( resid   45 and name  hg2 ) 0.0 0.0 3.5
assign ( resid   45 and name   he ) ( resid   45 and name  hb# ) 0.0 0.0 3.5
assign ( resid   45 and name   he ) ( resid   45 and name  hd# ) 0.0 0.0 2.8
assign ( resid   46 and name   hn ) ( resid   45 and name   ha ) 0.0 0.0 3.5
assign ( resid   46 and name   hn ) ( resid   45 and name   hn ) 0.0 0.0 2.8
assign ( resid   46 and name   hn ) ( resid   45 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   46 and name   hn ) ( resid   45 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   46 and name   hn ) ( resid   46 and name  ha1 ) 0.0 0.0 2.8
assign ( resid   46 and name   hn ) ( resid   46 and name  ha2 ) 0.0 0.0 2.8
assign ( resid   47 and name   hn ) ( resid   45 and name   hn ) 0.0 0.0 5.0
assign ( resid   47 and name   hn ) ( resid   46 and name  ha1 ) 0.0 0.0 3.5
assign ( resid   47 and name   hn ) ( resid   46 and name  ha2 ) 0.0 0.0 3.5
assign ( resid   47 and name   hn ) ( resid   47 and name   ha ) 0.0 0.0 3.5
assign ( resid   47 and name   hn ) ( resid   47 and name  hb# ) 0.0 0.0 3.5
assign ( resid   47 and name   hn ) ( resid   47 and name  hg# ) 0.0 0.0 5.0
assign ( resid   47 and name   hn ) ( resid   48 and name   hn ) 0.0 0.0 5.0
assign ( resid   48 and name   hn ) ( resid   14 and name  hd# ) 0.0 0.0 4.0
assign ( resid   48 and name   hn ) ( resid   47 and name   ha ) 0.0 0.0 3.5
assign ( resid   48 and name   hn ) ( resid   48 and name   ha ) 0.0 0.0 2.8
assign ( resid   48 and name   hn ) ( resid   48 and name   hb ) 0.0 0.0 3.5
assign ( resid   48 and name   hn ) ( resid   48 and name  hg# ) 0.0 0.0 3.5
assign ( resid   48 and name   hn ) ( resid   49 and name  hd# ) 0.0 0.0 5.0
assign ( resid   50 and name   hn ) ( resid   49 and name   ha ) 0.0 0.0 3.5
assign ( resid   50 and name   hn ) ( resid   49 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   50 and name   hn ) ( resid   50 and name   ha ) 0.0 0.0 3.5
assign ( resid   50 and name   hn ) ( resid   50 and name  hb# ) 0.0 0.0 3.5
assign ( resid   50 and name   hn ) ( resid   51 and name   hn ) 0.0 0.0 3.5
assign ( resid   51 and name   hn ) ( resid   50 and name  hb# ) 0.0 0.0 5.0
assign ( resid   51 and name   hn ) ( resid   50 and name   ha ) 0.0 0.0 5.0
assign ( resid   51 and name   hn ) ( resid   51 and name   ha ) 0.0 0.0 3.5
assign ( resid   51 and name   hn ) ( resid   51 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   51 and name   hn ) ( resid   51 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   51 and name   hn ) ( resid   51 and name  hg# ) 0.0 0.0 5.0
assign ( resid   51 and name   hn ) ( resid   52 and name   hn ) 0.0 0.0 5.0
assign ( resid   52 and name   hn ) ( resid   48 and name   ha ) 0.0 0.0 5.0
assign ( resid   52 and name   hn ) ( resid   51 and name   ha ) 0.0 0.0 5.0
assign ( resid   52 and name   hn ) ( resid   52 and name   ha ) 0.0 0.0 3.5
assign ( resid   52 and name   hn ) ( resid   52 and name   hg ) 0.0 0.0 3.5
assign ( resid   52 and name   hn ) ( resid   51 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   52 and name   hn ) ( resid   52 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   52 and name   hn ) ( resid   52 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   52 and name   hn ) ( resid   52 and name  hd# ) 0.0 0.0 5.0
assign ( resid   52 and name   hn ) ( resid   53 and name   hn ) 0.0 0.0 2.8
assign ( resid   53 and name   hn ) ( resid   51 and name   ha ) 0.0 0.0 5.0
assign ( resid   53 and name   hn ) ( resid   52 and name   ha ) 0.0 0.0 3.5
assign ( resid   53 and name   hn ) ( resid   52 and name   hn ) 0.0 0.0 2.8
assign ( resid   53 and name   hn ) ( resid   52 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   53 and name   hn ) ( resid   52 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   53 and name   hn ) ( resid   52 and name hd1# ) 0.0 0.0 5.0
assign ( resid   53 and name   hn ) ( resid   52 and name hd2# ) 0.0 0.0 5.0
assign ( resid   53 and name   hn ) ( resid   53 and name   ha ) 0.0 0.0 2.8
assign ( resid   53 and name   hn ) ( resid   53 and name  hb# ) 0.0 0.0 3.5
assign ( resid   53 and name   hn ) ( resid   53 and name  hd# ) 0.0 0.0 5.0
assign ( resid   53 and name   hn ) ( resid   54 and name   hn ) 0.0 0.0 2.8
assign ( resid   54 and name   he ) ( resid   54 and name  hd1 ) 0.0 0.0 2.8
assign ( resid   54 and name   he ) ( resid   54 and name  hd2 ) 0.0 0.0 2.8
assign ( resid   54 and name   hn ) ( resid   52 and name   hn ) 0.0 0.0 5.0
assign ( resid   54 and name   hn ) ( resid   53 and name   ha ) 0.0 0.0 3.5
assign ( resid   54 and name   hn ) ( resid   53 and name   hn ) 0.0 0.0 2.8
assign ( resid   54 and name   hn ) ( resid   54 and name   ha ) 0.0 0.0 2.8
assign ( resid   54 and name   hn ) ( resid   54 and name  hb# ) 0.0 0.0 3.5
assign ( resid   54 and name   hn ) ( resid   54 and name  hg# ) 0.0 0.0 3.5
assign ( resid   54 and name   hn ) ( resid   55 and name   hn ) 0.0 0.0 2.8
assign ( resid   55 and name   hn ) ( resid   10 and name   ha ) 0.0 0.0 5.0
assign ( resid   55 and name   hn ) ( resid   10 and name  hg# ) 0.0 0.0 5.0
assign ( resid   55 and name   hn ) ((resid   52 and name   ha ) or (resid 10 and name ha )) 0.0 0.0 3.5
assign ( resid   55 and name   hn ) ( resid   53 and name   ha ) 0.0 0.0 5.0
assign ( resid   55 and name   hn ) ( resid   53 and name   hn ) 0.0 0.0 5.0
assign ( resid   55 and name   hn ) ( resid   54 and name   ha ) 0.0 0.0 3.5
assign ( resid   55 and name   hn ) ( resid   55 and name   ha ) 0.0 0.0 2.8
assign ( resid   55 and name   hn ) ( resid   55 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   55 and name   hn ) ( resid   55 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   55 and name   hn ) ( resid   54 and name  hb# ) 0.0 0.0 5.0
assign ( resid   55 and name   hn ) ( resid   54 and name  hg# ) 0.0 0.0 5.0
assign ( resid   55 and name   hn ) ( resid   55 and name  hd# ) 0.0 0.0 3.5
assign ( resid   56 and name   hn ) ( resid   53 and name   ha ) 0.0 0.0 5.0  !r
assign ( resid   56 and name   hn ) ( resid   55 and name   ha ) 0.0 0.0 3.5
assign ( resid   56 and name   hn ) ( resid   55 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   56 and name   hn ) ( resid   55 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   56 and name   hn ) ( resid   56 and name   ha ) 0.0 0.0 2.8
assign ( resid   56 and name   hn ) ( resid   56 and name  hb# ) 0.0 0.0 3.5
assign ( resid   56 and name   hn ) ( resid   57 and name   hn ) 0.0 0.0 5.0
assign ( resid   56 and name   hn ) ( resid   61 and name  hg# ) 0.0 0.0 5.0
assign ( resid   56 and name   hn ) ((resid   55 and name  hd# ) or ( resid  10  and name  hg#)) 0.0 0.0 5.0
assign ( resid   57 and name   hn ) ( resid   55 and name   ha ) 0.0 0.0 5.0
assign ( resid   57 and name   hn ) ( resid   56 and name   ha ) 0.0 0.0 3.5
assign ( resid   57 and name   hn ) ( resid   56 and name  hb# ) 0.0 0.0 5.0
assign ( resid   57 and name   hn ) ( resid   56 and name   hn ) 0.0 0.0 3.5
assign ( resid   57 and name   hn ) ( resid   57 and name   ha ) 0.0 0.0 2.8
assign ( resid   57 and name   hn ) ( resid   57 and name  hb# ) 0.0 0.0 3.5
assign ( resid   57 and name   hn ) ( resid   58 and name   hn ) 0.0 0.0 3.5
assign ( resid   58 and name   hn ) ( resid   58 and name  ha1 ) 0.0 0.0 2.8
assign ( resid   58 and name   hn ) ( resid   58 and name  ha2 ) 0.0 0.0 2.8
assign ( resid   58 and name   hn ) ( resid   57 and name   ha ) 0.0 0.0 2.8
assign ( resid   58 and name   hn ) ( resid   57 and name   hn ) 0.0 0.0 5.0
assign ( resid   58 and name   hn ) ( resid   57 and name  hb# ) 0.0 0.0 5.0
assign ( resid   59 and name   hn ) ( resid   56 and name  hb# ) 0.0 0.0 3.5
assign ( resid   59 and name   hn ) ( resid   57 and name  hb# ) 0.0 0.0 5.0
assign ( resid   59 and name   hn ) ( resid   58 and name  ha1 ) 0.0 0.0 3.5
assign ( resid   59 and name   hn ) ( resid   58 and name  ha2 ) 0.0 0.0 3.5
assign ( resid   59 and name   hn ) ( resid   59 and name  ha1 ) 0.0 0.0 2.8
assign ( resid   59 and name   hn ) ( resid   59 and name  ha2 ) 0.0 0.0 2.8
assign ( resid   59 and name   hn ) ( resid   60 and name   hn ) 0.0 0.0 5.0
assign ( resid   60 and name   hn ) ( resid   56 and name  hb# ) 0.0 0.0 5.0
assign ( resid   60 and name   hn ) ( resid   59 and name   hn ) 0.0 0.0 5.0
assign ( resid   60 and name   hn ) ( resid   59 and name  ha1 ) 0.0 0.0 3.5
assign ( resid   60 and name   hn ) ( resid   59 and name  ha2 ) 0.0 0.0 3.5
assign ( resid   60 and name   hn ) ( resid   60 and name   ha ) 0.0 0.0 2.8
assign ( resid   60 and name   hn ) ( resid   60 and name  hb# ) 0.0 0.0 2.8
assign ( resid   60 and name   hn ) ( resid   60 and name  hg# ) 0.0 0.0 3.5
assign ( resid   60 and name   hn ) ( resid   38 and name  hg# ) 0.0 0.0 5.0  
assign ( resid   60 and name   hn ) ( resid   61 and name   hn ) 0.0 0.0 5.0
assign ( resid   61 and name   hn ) ( resid   60 and name   ha ) 0.0 0.0 2.8
assign ( resid   61 and name   hn ) ( resid   60 and name  hg# ) 0.0 0.0 5.0
assign ( resid   61 and name   hn ) ( resid   61 and name   ha ) 0.0 0.0 2.8
assign ( resid   61 and name   hn ) ( resid   61 and name   hb ) 0.0 0.0 3.5
assign ( resid   61 and name   hn ) ( resid   61 and name  hg# ) 0.0 0.0 3.5 
assign ( resid   62 and name   hn ) ( resid   11 and name   ha ) 0.0 0.0 3.5
assign ( resid   62 and name   hn ) ( resid   61 and name   ha ) 0.0 0.0 2.8
assign ( resid   62 and name   hn ) ( resid   61 and name   hb ) 0.0 0.0 5.0
assign ( resid   62 and name   hn ) ( resid   61 and name   hn ) 0.0 0.0 5.0
assign ( resid   62 and name   hn ) ( resid   61 and name  hg# ) 0.0 0.0 5.0
assign ( resid   62 and name   hn ) ( resid   62 and name   ha ) 0.0 0.0 3.5
assign ( resid   62 and name   hn ) ( resid   62 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   62 and name   hn ) ( resid   62 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   62 and name hd21 ) ( resid   62 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   62 and name hd21 ) ( resid   62 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   63 and name   hn ) ( resid   62 and name   ha ) 0.0 0.0 2.8
assign ( resid   63 and name   hn ) ( resid   62 and name   hn ) 0.0 0.0 5.0
assign ( resid   63 and name   hn ) ( resid   62 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   63 and name   hn ) ( resid   62 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   63 and name   hn ) ( resid   63 and name   ha ) 0.0 0.0 2.8
assign ( resid   63 and name   hn ) ( resid   63 and name   hg ) 0.0 0.0 5.0
assign ( resid   63 and name   hn ) ( resid   63 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   63 and name   hn ) ( resid   63 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   63 and name   hn ) ( resid   63 and name  hd# ) 0.0 0.0 3.5
assign ( resid   64 and name   hn ) ( resid   13 and name   ha ) 0.0 0.0 3.5
assign ( resid   64 and name   hn ) ( resid   13 and name  hg# ) 0.0 0.0 5.0
assign ( resid   64 and name   hn ) ( resid   14 and name   hn ) 0.0 0.0 5.0
assign ( resid   64 and name   hn ) ( resid   63 and name  hd# ) 0.0 0.0 5.0
assign ( resid   64 and name   hn ) ( resid   63 and name   ha ) 0.0 0.0 2.8
assign ( resid   64 and name   hn ) ( resid   63 and name   hg ) 0.0 0.0 5.0
assign ( resid   64 and name   hn ) ( resid   63 and name   hn ) 0.0 0.0 5.0
assign ( resid   64 and name   hn ) ( resid   63 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   64 and name   hn ) ( resid   63 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   64 and name   hn ) ( resid   64 and name   ha ) 0.0 0.0 2.8
assign ( resid   64 and name   hn ) ( resid   64 and name  hb# ) 0.0 0.0 3.5
assign ( resid   65 and name   hn ) ( resid   64 and name   ha ) 0.0 0.0 2.8
assign ( resid   65 and name   hn ) ( resid   64 and name  hb# ) 0.0 0.0 5.0
assign ( resid   65 and name   hn ) ( resid   65 and name   ha ) 0.0 0.0 3.5
assign ( resid   65 and name   hn ) ( resid   65 and name  hb# ) 0.0 0.0 3.5
assign ( resid   65 and name   hn ) ( resid   66 and name   hn ) 0.0 0.0 5.0
assign ( resid   66 and name   hn ) ( resid   15 and name   ha ) 0.0 0.0 3.5
assign ( resid   66 and name   hn ) ( resid   15 and name  hg# ) 0.0 0.0 5.0
assign ( resid   66 and name   hn ) ( resid   16 and name   hn ) 0.0 0.0 5.0
assign ( resid   66 and name   hn ) ( resid   65 and name   ha ) 0.0 0.0 2.8
assign ( resid   66 and name   hn ) ( resid   65 and name   hn ) 0.0 0.0 5.0
assign ( resid   66 and name   hn ) ( resid   65 and name  hb# ) 0.0 0.0 5.0
assign ( resid   66 and name   hn ) ( resid   66 and name   ha ) 0.0 0.0 2.8
assign ( resid   66 and name   hn ) ( resid   66 and name  hb# ) 0.0 0.0 3.5
assign ( resid   66 and name   hn ) ( resid   66 and name  hg# ) 0.0 0.0 5.0
assign ( resid   66 and name   hn ) ( resid   15 and name  hb# ) 0.0 0.0 5.0
assign ( resid   67 and name   hn ) ( resid   66 and name   ha ) 0.0 0.0 3.5
assign ( resid   67 and name   hn ) ( resid   66 and name  hb# ) 0.0 0.0 3.5
assign ( resid   67 and name   hn ) ( resid   67 and name   ha ) 0.0 0.0 2.8
assign ( resid   67 and name   hn ) ( resid   67 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   67 and name   hn ) ( resid   67 and name  hb2 ) 0.0 0.0 3.5 !r 
assign ( resid   68 and name   hn ) ( resid   15 and name  hg# ) 0.0 0.0 5.0
assign ( resid   68 and name   hn ) ( resid   67 and name   ha ) 0.0 0.0 2.8
assign ( resid   68 and name   hn ) ( resid   67 and name  hb# ) 0.0 0.0 5.0
assign ( resid   68 and name   hn ) ( resid   68 and name   ha ) 0.0 0.0 3.5
assign ( resid   68 and name   hn ) ( resid   68 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   68 and name   hn ) ( resid   68 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   68 and name   hn ) ( resid   68 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   68 and name   hn ) ( resid   69 and name   hn ) 0.0 0.0 2.8
assign ( resid   68 and name   hn ) ((resid   69 and name  hb# ) or (resid 18 and name hb#)) 0.0 0.0 5.0
assign ( resid   68 and name   hn ) ((resid   69 and name  hg# ) or (resid 18 and name hg#)) 0.0 0.0 5.0
assign ( resid   69 and name   he ) ( resid   15 and name  hg# ) 0.0 0.0 5.0
assign ( resid   69 and name   he ) ( resid   69 and name  hb# ) 0.0 0.0 3.5
assign ( resid   69 and name   he ) ( resid   69 and name  hg# ) 0.0 0.0 3.5
assign ( resid   69 and name   he ) ( resid   69 and name  hd# ) 0.0 0.0 2.8
assign ( resid   69 and name   he ) ( resid   69 and name   ha ) 0.0 0.0 5.0
assign ( resid   69 and name   he ) ( resid   68 and name   ha ) 0.0 0.0 5.0
assign ( resid   69 and name   he ) ( resid   69 and name hh2# ) 0.0 0.0 3.5
assign ( resid   69 and name   hn ) ( resid   67 and name   ha ) 0.0 0.0 5.0
assign ( resid   69 and name   hn ) ( resid   68 and name   ha ) 0.0 0.0 3.5
assign ( resid   69 and name   hn ) ( resid   68 and name   hn ) 0.0 0.0 2.8
assign ( resid   69 and name   hn ) ( resid   69 and name   ha ) 0.0 0.0 2.8
assign ( resid   69 and name   hn ) ( resid   69 and name  hb# ) 0.0 0.0 2.8
assign ( resid   69 and name   hn ) ( resid   69 and name  hd# ) 0.0 0.0 5.0
assign ( resid   69 and name   hn ) ( resid   69 and name  hg# ) 0.0 0.0 2.8
assign ( resid   69 and name   hn ) ( resid   69 and name   he ) 0.0 0.0 5.0
assign ( resid   69 and name   hn ) ( resid   70 and name   hn ) 0.0 0.0 2.8
assign ( resid   70 and name   hn ) ( resid   69 and name   ha ) 0.0 0.0 3.5
assign ( resid   70 and name   hn ) ( resid   69 and name   hn ) 0.0 0.0 3.5
assign ( resid   70 and name   hn ) ( resid   69 and name  hb# ) 0.0 0.0 3.5
assign ( resid   70 and name   hn ) ( resid   69 and name  hg# ) 0.0 0.0 3.5
assign ( resid   70 and name   hn ) ( resid   70 and name   ha ) 0.0 0.0 3.5
assign ( resid   70 and name   hn ) ( resid   70 and name  hb# ) 0.0 0.0 2.8
assign ( resid   70 and name   hn ) ( resid   71 and name   hn ) 0.0 0.0 2.8
assign ( resid   70 and name   hn ) ( resid   71 and name  hb# ) 0.0 0.0 5.0
assign ( resid   70 and name   hn ) ( resid   71 and name  hg# ) 0.0 0.0 5.0

assign ( resid   71 and name   hn ) ( resid   17 and name   ha ) 0.0 0.0 6.0
assign ( resid   71 and name   hn ) ( resid   68 and name   ha ) 0.0 0.0 5.0
assign ( resid   71 and name   hn ) ( resid   68 and name  hb# ) 0.0 0.0 5.0
assign ( resid   71 and name   hn ) ( resid   69 and name   ha ) 0.0 0.0 5.0
assign ( resid   71 and name   hn ) ( resid   69 and name   he ) 0.0 0.0 5.0
assign ( resid   71 and name   hn ) ( resid   69 and name  hb# ) 0.0 0.0 5.0
assign ( resid   71 and name   hn ) ( resid   69 and name  hg# ) 0.0 0.0 5.0
assign ( resid   71 and name   hn ) ( resid   69 and name  hd# ) 0.0 0.0 5.0
assign ( resid   71 and name   hn ) ( resid   70 and name   hn ) 0.0 0.0 2.8
assign ( resid   71 and name   hn ) ( resid   70 and name  hb# ) 0.0 0.0 3.5
assign ( resid   71 and name   hn ) ( resid   71 and name   ha ) 0.0 0.0 3.5
assign ( resid   71 and name   hn ) ( resid   71 and name  hb# ) 0.0 0.0 2.8
assign ( resid   71 and name   hn ) ( resid   71 and name  hg# ) 0.0 0.0 3.5
assign ( resid   72 and name   hn ) ( resid   69 and name   he ) 0.0 0.0 5.0
assign ( resid   72 and name   hn ) ( resid   71 and name   ha ) 0.0 0.0 3.5
assign ( resid   72 and name   hn ) ( resid   71 and name  hb# ) 0.0 0.0 5.0
assign ( resid   72 and name   hn ) ( resid   71 and name  hg# ) 0.0 0.0 5.0
assign ( resid   72 and name   hn ) ( resid   72 and name   ha ) 0.0 0.0 2.8
assign ( resid   72 and name   hn ) ( resid   72 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   72 and name   hn ) ( resid   72 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   72 and name   hn ) ( resid   73 and name   hn ) 0.0 0.0 5.0
assign ( resid   73 and name   hn ) ( resid   72 and name   ha ) 0.0 0.0 2.8
assign ( resid   73 and name   hn ) ( resid   72 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   73 and name   hn ) ( resid   72 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   73 and name   hn ) ( resid   73 and name   ha ) 0.0 0.0 2.8
assign ( resid   73 and name   hn ) ( resid   73 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   73 and name   hn ) ( resid   73 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   73 and name   hn ) ( resid   73 and name  hd# ) 0.0 0.0 5.0
assign ( resid   74 and name   hn ) ( resid   73 and name   ha ) 0.0 0.0 2.8
assign ( resid   74 and name   hn ) ( resid   73 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   74 and name   hn ) ( resid   73 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   74 and name   hn ) ( resid   74 and name   ha ) 0.0 0.0 5.0
assign ( resid   74 and name   hn ) ( resid   74 and name   hb ) 0.0 0.0 3.5
assign ( resid   74 and name   hn ) ( resid   74 and name  hg# ) 0.0 0.0 5.0
assign ( resid   75 and name   hn ) ( resid   74 and name   ha ) 0.0 0.0 2.8
assign ( resid   75 and name   hn ) ( resid   74 and name  hg# ) 0.0 0.0 3.5
assign ( resid   75 and name   hn ) ( resid   74 and name   hn ) 0.0 0.0 5.0
assign ( resid   75 and name   hn ) ( resid   75 and name   ha ) 0.0 0.0 2.8
assign ( resid   75 and name   hn ) ( resid   75 and name  hb# ) 0.0 0.0 2.8
assign ( resid   75 and name   hn ) ( resid   75 and name  hg# ) 0.0 0.0 3.5


assign ( resid   10 and name   hb ) ( resid   10 and name   ha ) 0.0 0.0 3.5
assign ( resid   10 and name   hb ) ( resid   10 and name  hg# ) 0.0 0.0 2.8
assign ( resid   10 and name   hb ) ( resid   61 and name  hg# ) 0.0 0.0 3.5
assign ( resid   11 and name   ha ) ( resid   11 and name  hb# ) 0.0 0.0 2.8
assign ( resid   11 and name   ha ) ( resid   11 and name  hd2 ) 0.0 0.0 3.5
assign ( resid   11 and name   ha ) ( resid   62 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   11 and name   ha ) ( resid   62 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   11 and name  hb# ) ( resid   10 and name   ha ) 0.0 0.0 5.0
assign ( resid   11 and name  hb# ) ( resid   10 and name  hg# ) 0.0 0.0 5.0
assign ( resid   11 and name  hb# ) ( resid   11 and name   ha ) 0.0 0.0 2.8
assign ( resid   12 and name   hb ) ( resid   12 and name   ha ) 0.0 0.0 3.5
assign ( resid   12 and name   hb ) ( resid   12 and name  hg# ) 0.0 0.0 2.8
assign ( resid   12 and name   hb ) ( resid   63 and name   ha ) 0.0 0.0 5.0
assign ( resid   12 and name  hg# ) ( resid   12 and name   ha ) 0.0 0.0 3.5
assign ( resid   12 and name  hg# ) ( resid   63 and name   ha ) 0.0 0.0 5.0
assign ( resid   13 and name   hb ) ( resid   13 and name   ha ) 0.0 0.0 3.5
assign ( resid   14 and name  hb1 ) ( resid   14 and name   ha ) 0.0 0.0 3.5
assign ( resid   14 and name  hb1 ) ( resid   14 and name  hd# ) 0.0 0.0 5.0
assign ( resid   14 and name  hb1 ) (( resid   65 and name   ha ) or ( resid   23 and name   ha )) 0.0 0.0 5.0
assign ( resid   14 and name  hb2 ) ( resid   14 and name   ha ) 0.0 0.0 3.5
assign ( resid   14 and name  hb2 ) ( resid   14 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   14 and name  hb2 ) ( resid   14 and name  hd# ) 0.0 0.0 5.0
assign ( resid   14 and name  hb2 ) (( resid   65 and name   ha ) or ( resid   23 and name   ha )) 0.0 0.0 5.0
assign ( resid   15 and name  hg# ) ( resid   69 and name  hd# ) 0.0 0.0 5.0
assign ( resid   15 and name  hg# ) (( resid   66 and name   ha ) or ( resid   67 and name   ha )) 0.0 0.0 5.0
assign ( resid   16 and name hd1# ) ( resid   16 and name   ha ) 0.0 0.0 3.5
assign ( resid   16 and name hd1# ) ( resid   21 and name   ha ) 0.0 0.0 5.0
assign ( resid   16 and name hd1# ) ( resid   21 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   16 and name hd1# ) ( resid   21 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   16 and name hd2# ) ( resid   21 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   16 and name hd2# ) ( resid   21 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   17 and name  hb1 ) ( resid   17 and name   ha ) 0.0 0.0 3.5
assign ( resid   17 and name  hb2 ) ( resid   17 and name   ha ) 0.0 0.0 3.5
assign ( resid   17 and name  hb2 ) ( resid   17 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   17 and name  hb2 ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   17 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   17 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   21 and name   ha ) 0.0 0.0 3.5
assign ( resid   17 and name  hd1 ) ( resid   21 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   21 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   28 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   73 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   73 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   17 and name  hd1 ) ( resid   73 and name  hd# ) 0.0 0.0 5.0
assign ( resid   19 and name hg2# ) ( resid   18 and name  hb# ) 0.0 0.0 2.8
assign ( resid   19 and name hg2# ) ( resid   19 and name   ha ) 0.0 0.0 3.5
assign ( resid   19 and name hg2# ) ( resid   19 and name   hb ) 0.0 0.0 3.5
assign ( resid   19 and name hg2# ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   19 and name hg2# ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   20 and name  ha1 ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   20 and name  ha1 ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   20 and name  ha1 ) ( resid   30 and name   ha ) 0.0 0.0 3.5
assign ( resid   20 and name  ha2 ) ( resid   20 and name  ha1 ) 0.0 0.0 2.8
assign ( resid   20 and name  ha2 ) ( resid   28 and name   hg ) 0.0 0.0 5.0
assign ( resid   20 and name  ha2 ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   20 and name  ha2 ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   20 and name  ha2 ) ( resid   30 and name   ha ) 0.0 0.0 3.5
assign ( resid   21 and name   ha ) ( resid   16 and name   ha ) 0.0 0.0 3.5
assign ( resid   21 and name   ha ) ( resid   16 and name hd1# ) 0.0 0.0 5.0
assign ( resid   21 and name   ha ) ( resid   17 and name  hd1 ) 0.0 0.0 3.5
assign ( resid   21 and name   ha ) ( resid   21 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   21 and name   ha ) ( resid   21 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   21 and name   ha ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   21 and name  hb1 ) ( resid   21 and name   ha ) 0.0 0.0 3.5
assign ( resid   21 and name  hb1 ) ( resid   21 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   21 and name  hb1 ) ( resid   21 and name  hd# ) 0.0 0.0 3.5
assign ( resid   21 and name  hb2 ) ( resid   21 and name   ha ) 0.0 0.0 3.5
assign ( resid   21 and name  hb2 ) ( resid   21 and name  hd# ) 0.0 0.0 3.5
assign ( resid   21 and name  hb# ) ( resid   16 and name  hd# ) 0.0 0.0 3.5
assign ( resid   21 and name  hd# ) ( resid   16 and name   hg ) 0.0 0.0 5.0
assign ( resid   21 and name  hd# ) ( resid   16 and name hd1# ) 0.0 0.0 3.5
assign ( resid   21 and name  hd# ) ( resid   21 and name   hz ) 0.0 0.0 3.5
assign ( resid   21 and name  hd# ) ( resid   21 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   21 and name  hd# ) ( resid   21 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   22 and name  hb1 ) ( resid   17 and name  hh2 ) 0.0 0.0 5.0
assign ( resid   22 and name  hb1 ) ( resid   17 and name  hz2 ) 0.0 0.0 5.0
assign ( resid   22 and name  hb1 ) ( resid   22 and name   ha ) 0.0 0.0 3.5
assign ( resid   22 and name  hb1 ) ( resid   28 and name   ha ) 0.0 0.0 5.0
assign ( resid   22 and name  hb2 ) ( resid   17 and name  hh2 ) 0.0 0.0 5.0
assign ( resid   22 and name  hb2 ) ( resid   17 and name  hz2 ) 0.0 0.0 5.0
assign ( resid   22 and name  hb2 ) ( resid   22 and name   ha ) 0.0 0.0 3.5
assign ( resid   22 and name  hb2 ) ( resid   22 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   22 and name  hb2 ) ( resid   28 and name   ha ) 0.0 0.0 5.0
assign ( resid   22 and name  hb# ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   23 and name   ha ) ( resid   14 and name   ha ) 0.0 0.0 5.0
assign ( resid   23 and name   ha ) ( resid   23 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   23 and name   ha ) ( resid   23 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   23 and name   ha ) ( resid   23 and name  hd# ) 0.0 0.0 5.0
assign ( resid   23 and name  hb1 ) ( resid   23 and name   ha ) 0.0 0.0 3.5
assign ( resid   23 and name  hb1 ) ( resid   23 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   23 and name  hb2 ) ( resid   23 and name   ha ) 0.0 0.0 3.5
assign ( resid   23 and name  hb# ) ( resid   23 and name  hd# ) 0.0 0.0 3.5
assign ( resid   23 and name  hd# ) ( resid   23 and name   ha ) 0.0 0.0 3.5
assign ( resid   23 and name  hd# ) ( resid   23 and name   hg ) 0.0 0.0 2.8

assign ( resid   23 and name  hd# ) ( resid   49 and name  hb# ) 0.0 0.0 5.0

assign ( resid   23 and name  hd1#) ( resid   14 and name   ha ) 0.0 0.0 3.5
assign ( resid   23 and name  hd2#) ( resid   14 and name   ha ) 0.0 0.0 3.5

assign ( resid   24 and name  hb# ) ( resid   24 and name   ha ) 0.0 0.0 3.5
assign ( resid   25 and name  hb1 ) ( resid   25 and name   ha ) 0.0 0.0 2.8
assign ( resid   25 and name  hb2 ) ( resid   25 and name   ha ) 0.0 0.0 2.8
assign ( resid   27 and name  hb1 ) ( resid   27 and name   ha ) 0.0 0.0 3.5
assign ( resid   27 and name  hb2 ) ( resid   27 and name   ha ) 0.0 0.0 3.5
assign ( resid   28 and name   ha ) ( resid   22 and name   ha ) 0.0 0.0 5.0
assign ( resid   28 and name   ha ) ( resid   22 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   28 and name   ha ) ( resid   22 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   28 and name   ha ) ( resid   28 and name   hg ) 0.0 0.0 3.5
assign ( resid   28 and name   ha ) ( resid   28 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   28 and name   ha ) ( resid   28 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   28 and name   ha ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   28 and name   ha ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   28 and name   hg ) ( resid   28 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   28 and name   hg ) ( resid   28 and name hd1# ) 0.0 0.0 3.5
assign ( resid   28 and name  hb1 ) ( resid   28 and name   ha ) 0.0 0.0 2.8
assign ( resid   28 and name  hb1 ) ( resid   28 and name   hg ) 0.0 0.0 3.5
assign ( resid   28 and name  hb1 ) ( resid   28 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   28 and name  hb1 ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   28 and name  hb1 ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   28 and name  hb2 ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   28 and name  hb2 ) ( resid   28 and name hd2# ) 0.0 0.0 3.5
assign ( resid   28 and name  hd# ) ( resid   20 and name  ha# ) 0.0 0.0 5.0
assign ( resid   28 and name hd1# ) ( resid   17 and name  hd1 ) 0.0 0.0 3.5
assign ( resid   28 and name hd1# ) ( resid   22 and name   ha ) 0.0 0.0 5.0
assign ( resid   28 and name hd1# ) ( resid   22 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   28 and name hd1# ) ( resid   22 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   28 and name hd1# ) ( resid   28 and name   ha ) 0.0 0.0 3.5
assign ( resid   28 and name hd1# ) ( resid   28 and name   hg ) 0.0 0.0 2.8
assign ( resid   28 and name hd1# ) ( resid   28 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   28 and name hd1# ) ( resid   28 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   28 and name hd1# ) ( resid   73 and name   ha ) 0.0 0.0 5.0
assign ( resid   28 and name hd1# ) ( resid   73 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   28 and name hd1# ) ( resid   73 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   28 and name hd1# ) ( resid   73 and name  hd# ) 0.0 0.0 5.0
assign ( resid   28 and name hd2# ) ( resid   28 and name   ha ) 0.0 0.0 5.0
assign ( resid   28 and name hd2# ) ( resid   28 and name   hg ) 0.0 0.0 2.8
assign ( resid   28 and name hd2# ) ( resid   28 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   28 and name hd2# ) ( resid   28 and name hd1# ) 0.0 0.0 2.8
assign ( resid   28 and name hd2# ) ( resid   73 and name   ha ) 0.0 0.0 5.0
assign ( resid   28 and name hd2# ) ( resid   73 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   28 and name hd2# ) ( resid   73 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   28 and name hd2# ) ( resid   73 and name  hd# ) 0.0 0.0 5.0
assign ( resid   29 and name   ha ) ( resid   29 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   29 and name   ha ) ( resid   29 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   29 and name   ha ) ( resid   29 and name  hg1 ) 0.0 0.0 3.5
assign ( resid   29 and name  hb1 ) ( resid   29 and name   ha ) 0.0 0.0 3.5
assign ( resid   29 and name  hb1 ) ( resid   29 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   29 and name  hb1 ) ( resid   29 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   29 and name  hb2 ) ( resid   29 and name   ha ) 0.0 0.0 3.5
assign ( resid   29 and name  hb2 ) ( resid   29 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   29 and name  hb2 ) ( resid   29 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   29 and name  hb# ) ( resid   29 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   29 and name  hb# ) ( resid   29 and name  hg1 ) 0.0 0.0 3.5
assign ( resid   29 and name  hb# ) ( resid   29 and name  hg2 ) 0.0 0.0 3.5
assign ( resid   29 and name  hd1 ) ( resid   29 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   29 and name  hd1 ) ( resid   29 and name  hd2 ) 0.0 0.0 2.8
assign ( resid   29 and name  hd2 ) ( resid   29 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   29 and name  hd# ) ( resid   29 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   29 and name  hd# ) ( resid   29 and name  hg1 ) 0.0 0.0 3.5
assign ( resid   29 and name  hd# ) ( resid   29 and name  hg2 ) 0.0 0.0 3.5
assign ( resid   29 and name  hg1 ) ( resid   29 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   29 and name  hg1 ) ( resid   29 and name  hd1 ) 0.0 0.0 3.5
assign ( resid   29 and name  hg1 ) ( resid   29 and name  hd2 ) 0.0 0.0 3.5
assign ( resid   29 and name  hg2 ) ( resid   29 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   29 and name  hg2 ) ( resid   29 and name  hd1 ) 0.0 0.0 3.5
assign ( resid   29 and name  hg2 ) ( resid   29 and name  hd2 ) 0.0 0.0 3.5
assign ( resid   29 and name  hg# ) ( resid   29 and name   ha ) 0.0 0.0 5.0
assign ( resid   30 and name  hb1 ) ( resid   33 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   30 and name  hb1 ) ( resid   33 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   30 and name  hb2 ) ( resid   33 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   30 and name  hb2 ) ( resid   33 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   30 and name  hb# ) ( resid   30 and name   ha ) 0.0 0.0 3.5
assign ( resid   31 and name  hb1 ) ( resid   31 and name   ha ) 0.0 0.0 2.8
assign ( resid   31 and name  hb2 ) ( resid   31 and name   ha ) 0.0 0.0 3.5
assign ( resid   31 and name  hb2 ) ( resid   31 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   31 and name  hb2 ) ( resid   40 and name hd2# ) 0.0 0.0 5.0
assign ( resid   31 and name  hb# ) ( resid   31 and name  hd# ) 0.0 0.0 3.5
assign ( resid   31 and name  hb# ) ( resid   31 and name  he# ) 0.0 0.0 5.0
assign ( resid   31 and name  hd# ) ( resid   20 and name  ha1 ) 0.0 0.0 5.0
assign ( resid   31 and name  hd# ) ( resid   20 and name  ha2 ) 0.0 0.0 5.0
assign ( resid   31 and name  hd# ) ( resid   31 and name   ha ) 0.0 0.0 3.5
assign ( resid   31 and name  hd# ) ( resid   31 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   31 and name  hd# ) ( resid   31 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   31 and name  hd# ) ( resid   40 and name hd1# ) 0.0 0.0 3.5
assign ( resid   31 and name  hd# ) ( resid   40 and name hd2# ) 0.0 0.0 3.5
assign ( resid   31 and name  he# ) ( resid   16 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   31 and name  he# ) ( resid   16 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   31 and name  he# ) ( resid   16 and name  hd# ) 0.0 0.0 3.5
assign ( resid   31 and name  he# ) ( resid   19 and name   ha ) 0.0 0.0 5.0
assign ( resid   31 and name  he# ) ( resid   20 and name  ha1 ) 0.0 0.0 5.0
assign ( resid   31 and name  he# ) ( resid   20 and name  ha2 ) 0.0 0.0 5.0
assign ( resid   31 and name  he# ) ( resid   31 and name   ha ) 0.0 0.0 5.0
assign ( resid   31 and name  he# ) ( resid   31 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   31 and name  he# ) ( resid   31 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   31 and name  he# ) ( resid   31 and name  hd# ) 0.0 0.0 2.8
assign ( resid   31 and name  he# ) ( resid   40 and name  hd# ) 0.0 0.0 3.5
assign ( resid   34 and name  hb1 ) ( resid   34 and name   ha ) 0.0 0.0 3.5
assign ( resid   34 and name  hb1 ) ( resid   34 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   34 and name  hb2 ) ( resid   34 and name   ha ) 0.0 0.0 2.8
assign ( resid   34 and name  hb2 ) ( resid   34 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   34 and name  hb# ) ( resid   34 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   34 and name  hd1 ) ( resid   33 and name   ha ) 0.0 0.0 5.0
assign ( resid   34 and name  hd2 ) ( resid   33 and name   ha ) 0.0 0.0 5.0
assign ( resid   34 and name  hd# ) ( resid   34 and name  hb# ) 0.0 0.0 5.0
assign ( resid   34 and name  hd# ) ( resid   34 and name  hg# ) 0.0 0.0 2.8
assign ( resid   35 and name  hb# ) ( resid   35 and name   ha ) 0.0 0.0 2.8
assign ( resid   36 and name  hb# ) ( resid   36 and name   ha ) 0.0 0.0 5.0
assign ( resid   36 and name  hb# ) ( resid   21 and name  he# ) 0.0 0.0 3.5
assign ( resid   36 and name  hb# ) ( resid   40 and name hd1# ) 0.0 0.0 5.0
assign ( resid   36 and name  hb# ) ( resid   40 and name hd2# ) 0.0 0.0 5.0
assign ( resid   37 and name  hb# ) ( resid   34 and name   ha ) 0.0 0.0 3.5
assign ( resid   37 and name  hb# ) ( resid   34 and name  hb# ) 0.0 0.0 5.0
assign ( resid   37 and name  hb# ) ( resid   37 and name   ha ) 0.0 0.0 2.8
assign ( resid   38 and name  hb# ) ( resid   38 and name   ha ) 0.0 0.0 2.8
assign ( resid   38 and name  hg# ) ( resid   38 and name   ha ) 0.0 0.0 3.5
assign ( resid   39 and name   ha ) ( resid   39 and name  hb# ) 0.0 0.0 3.5
assign ( resid   39 and name  he# ) ( resid   39 and name   ha ) 0.0 0.0 5.0
assign ( resid   39 and name  he# ) ( resid   39 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   39 and name  he# ) ( resid   39 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   39 and name  he# ) ( resid   43 and name   hb ) 0.0 0.0 5.0
assign ( resid   39 and name  he# ) ( resid   43 and name hd1# ) 0.0 0.0 3.5
assign ( resid   39 and name  he# ) ( resid   43 and name hg2# ) 0.0 0.0 3.5
assign ( resid   39 and name  he# ) ( resid   29 and name  hd# ) 0.0 0.0 5.0
assign ( resid   39 and name  he# ) ( resid   23 and name  hd# ) 0.0 0.0 2.8
assign ( resid   39 and name  he# ) ( resid   23 and name  hb1 ) 0.0 0.0 5.0
assign ( resid   39 and name  he# ) ( resid   23 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   39 and name  hb1 ) ( resid   39 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   39 and name  hb# ) ( resid   39 and name  hd# ) 0.0 0.0 3.5
assign ( resid   39 and name  hd# ) ( resid   39 and name   ha ) 0.0 0.0 3.5
assign ( resid   39 and name  hd# ) ( resid   39 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   39 and name  hd# ) ( resid   39 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   39 and name  hd# ) ( resid   39 and name  he# ) 0.0 0.0 3.5
assign ( resid   39 and name  hd# ) ( resid   43 and name   hb ) 0.0 0.0 3.5
assign ( resid   39 and name  hd# ) ( resid   43 and name hd1# ) 0.0 0.0 3.5
assign ( resid   39 and name  hd# ) ( resid   43 and name hg2# ) 0.0 0.0 3.5  !r
assign ( resid   39 and name  hd# ) ( resid   29 and name  hd# ) 0.0 0.0 5.0
assign ( resid   39 and name  hd# ) ( resid   23 and name  hd# ) 0.0 0.0 3.5
assign ( resid   39 and name  hd# ) ( resid  23 and name  hb1  ) 0.0 0.0 5.0
assign ( resid   39 and name  hd# ) ( resid  23 and name  hb2  ) 0.0 0.0 5.0
assign ( resid   39 and name  hz ) ( resid   23 and name  hd# ) 0.0 0.0 5.0
assign ( resid   39 and name  hz ) ( resid   39 and name  he# ) 0.0 0.0 5.0
assign ( resid   39 and name  hz ) ((resid   29 and name  hb2 ) or (resid 43 and name hg2# )) 0.0 0.0 5.0
assign ( resid   39 and name  hz ) ( resid   23 and name   hg ) 0.0 0.0 5.0
assign ( resid   40 and name   ha ) ( resid   39 and name  hd# ) 0.0 0.0 5.0
assign ( resid   40 and name   ha ) ( resid   40 and name hd1# ) 0.0 0.0 3.5
assign ( resid   40 and name   ha ) ( resid   40 and name hd2# ) 0.0 0.0 3.5
assign ( resid   40 and name   ha ) ( resid   43 and name   hb ) 0.0 0.0 3.5
assign ( resid   40 and name   ha ) ( resid   43 and name  hd# ) 0.0 0.0 5.0
assign ( resid   40 and name  hb1 ) ( resid   40 and name   ha ) 0.0 0.0 2.8
assign ( resid   40 and name  hb2 ) ( resid   40 and name   ha ) 0.0 0.0 3.5
assign ( resid   40 and name  hb# ) ( resid   40 and name hd1# ) 0.0 0.0 3.5
assign ( resid   40 and name  hb# ) ( resid   40 and name hd2# ) 0.0 0.0 3.5
assign ( resid   40 and name  hd# ) ( resid   31 and name  hb# ) 0.0 0.0 5.0
assign ( resid   40 and name  hd# ) ( resid   31 and name   ha ) 0.0 0.0 5.0
assign ( resid   40 and name  hd# ) ( resid   36 and name  hb# ) 0.0 0.0 5.0
assign ( resid   40 and name  hd# ) ( resid   40 and name   ha ) 0.0 0.0 5.0
assign ( resid   40 and name  hd# ) ( resid   40 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   40 and name  hd# ) ( resid   40 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   43 and name   ha ) ( resid   43 and name   hb ) 0.0 0.0 3.5
assign ( resid   43 and name   ha ) ( resid   43 and name hd1# ) 0.0 0.0 3.5
assign ( resid   43 and name   ha ) ( resid   43 and name hg11 ) 0.0 0.0 3.5
assign ( resid   43 and name   ha ) ( resid   43 and name hg12 ) 0.0 0.0 3.5
assign ( resid   43 and name   ha ) ( resid   43 and name hg2# ) 0.0 0.0 3.5
assign ( resid   43 and name   hb ) ( resid   43 and name   ha ) 0.0 0.0 2.8
assign ( resid   43 and name   hb ) ( resid   43 and name hd1# ) 0.0 0.0 3.5
assign ( resid   43 and name   hb ) ( resid   43 and name hg11 ) 0.0 0.0 3.5
assign ( resid   43 and name   hb ) ( resid   43 and name hg12 ) 0.0 0.0 3.5
assign ( resid   43 and name   hb ) ( resid   43 and name hg2# ) 0.0 0.0 3.5
assign ( resid   43 and name hd1# ) ( resid   39 and name  hd# ) 0.0 0.0 5.0
assign ( resid   43 and name hd1# ) ( resid   43 and name   hb ) 0.0 0.0 3.5
assign ( resid   43 and name hd1# ) ( resid   43 and name hg12 ) 0.0 0.0 2.8
assign ( resid   43 and name hd1# ) ( resid   43 and name hg2# ) 0.0 0.0 2.8
assign ( resid   43 and name hd1# ) ( resid   49 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   43 and name hd1# ) ( resid   49 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   43 and name hd1# ) ( resid   63 and name  hb# ) 0.0 0.0 5.0
assign ( resid   43 and name hd1# ) ( resid   63 and name  hd# ) 0.0 0.0 3.5
assign ( resid   43 and name hd1# ) (( resid   43 and name   ha ) or ( resid   49 and name  hd2 )) 0.0 0.0 3.5
assign ( resid   43 and name hg11 ) ( resid   43 and name   ha ) 0.0 0.0 5.0
assign ( resid   43 and name hg11 ) ( resid   43 and name   hb ) 0.0 0.0 3.5
assign ( resid   43 and name hg12 ) ( resid   43 and name   ha ) 0.0 0.0 3.5
assign ( resid   43 and name hg12 ) ( resid   43 and name   hb ) 0.0 0.0 3.5
assign ( resid   43 and name hg2# ) ( resid   39 and name  hd# ) 0.0 0.0 5.0
assign ( resid   43 and name hg2# ) ( resid   43 and name   hb ) 0.0 0.0 3.5
assign ( resid   43 and name hg2# ) ( resid   43 and name hg11 ) 0.0 0.0 3.5
assign ( resid   43 and name hg2# ) ( resid   43 and name hg12 ) 0.0 0.0 3.5
assign ( resid   43 and name hg2# ) ( resid   49 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   43 and name hg2# ) (( resid   43 and name   ha ) or ( resid   49 and name  hd2 )) 0.0 0.0 3.5
assign ( resid   44 and name   ha ) ( resid   44 and name  hb# ) 0.0 0.0 2.8
assign ( resid   44 and name   ha ) ( resid   44 and name  hg1 ) 0.0 0.0 3.5
assign ( resid   44 and name   ha ) ( resid   44 and name  hg2 ) 0.0 0.0 3.5
assign ( resid   44 and name   ha ) ( resid   43 and name hg2# ) 0.0 0.0 5.0
assign ( resid   48 and name   ha ) ( resid   48 and name   hb ) 0.0 0.0 3.5
assign ( resid   48 and name   ha ) ( resid   48 and name  hg# ) 0.0 0.0 3.5
assign ( resid   48 and name   ha ) ( resid   49 and name  hd# ) 0.0 0.0 3.5
assign ( resid   48 and name   ha ) ( resid   49 and name  hg1 ) 0.0 0.0 5.0
assign ( resid   49 and name   ha ) ( resid   49 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   49 and name   ha ) ( resid   49 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   49 and name  hb1 ) ( resid   49 and name   ha ) 0.0 0.0 3.5
assign ( resid   49 and name  hb1 ) ( resid   49 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   49 and name  hb1 ) ( resid   49 and name  hg# ) 0.0 0.0 3.5
assign ( resid   49 and name  hb2 ) ( resid   49 and name  hg# ) 0.0 0.0 3.5
assign ( resid   49 and name  hd1 ) ( resid   49 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   49 and name  hd1 ) ( resid   49 and name  hg1 ) 0.0 0.0 3.5
assign ( resid   49 and name  hd1 ) ( resid   49 and name  hg2 ) 0.0 0.0 3.5
assign ( resid   49 and name  hd1 ) ( resid   48 and name   hb ) 0.0 0.0 5.0
assign ( resid   49 and name  hd1 ) ( resid   48 and name  hg# ) 0.0 0.0 3.5
assign ( resid   49 and name  hd2 ) ( resid   49 and name  hb2 ) 0.0 0.0 5.0
assign ( resid   49 and name  hd2 ) ( resid   49 and name  hd1 ) 0.0 0.0 2.8
assign ( resid   49 and name  hd2 ) ( resid   49 and name  hg1 ) 0.0 0.0 3.5
assign ( resid   49 and name  hd2 ) ( resid   49 and name  hg2 ) 0.0 0.0 3.5
assign ( resid   49 and name  hd2 ) ( resid   48 and name  hg# ) 0.0 0.0 3.5
assign ( resid   49 and name  hg1 ) ( resid   49 and name   ha ) 0.0 0.0 5.0
assign ( resid   49 and name  hg1 ) ( resid   49 and name  hb# ) 0.0 0.0 3.5
assign ( resid   49 and name  hg1 ) ( resid   49 and name  hd1 ) 0.0 0.0 3.5
assign ( resid   49 and name  hg1 ) ( resid   49 and name  hd2 ) 0.0 0.0 3.5
assign ( resid   49 and name  hg1 ) ( resid   49 and name  hg2 ) 0.0 0.0 2.8
assign ( resid   49 and name  hg2 ) ( resid   49 and name   ha ) 0.0 0.0 5.0
assign ( resid   49 and name  hg2 ) ( resid   49 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   49 and name  hg2 ) ( resid   49 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   50 and name   ha ) ( resid   50 and name  hb# ) 0.0 0.0 2.8
assign ( resid   51 and name  hg# ) ( resid   51 and name   ha ) 0.0 0.0 3.5
assign ( resid   52 and name  hb1 ) ( resid   52 and name   ha ) 0.0 0.0 2.8
assign ( resid   52 and name  hb1 ) ( resid   52 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   52 and name  hb1 ) ( resid   52 and name  hd# ) 0.0 0.0 3.5
assign ( resid   52 and name  hb# ) ( resid   61 and name  hg# ) 0.0 0.0 3.5
assign ( resid   52 and name  hb2 ) ( resid   52 and name   ha ) 0.0 0.0 2.8
assign ( resid   52 and name hd1# ) ( resid   49 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   52 and name hd1# ) ( resid   49 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   52 and name hd1# ) ( resid   52 and name   hg ) 0.0 0.0 5.0
assign ( resid   52 and name hd2# ) ( resid   49 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   52 and name hd2# ) ( resid   49 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   52 and name hd2# ) ( resid   52 and name   ha ) 0.0 0.0 5.0 
assign ( resid   52 and name hd2# ) ( resid   52 and name   hg ) 0.0 0.0 3.5 
assign ( resid   53 and name   ha ) ( resid   53 and name  hb# ) 0.0 0.0 2.8 
assign ( resid   53 and name   ha ) ( resid   53 and name  hd# ) 0.0 0.0 5.0
assign ( resid   53 and name   ha ) ( resid   53 and name  hg# ) 0.0 0.0 3.5
assign ( resid   53 and name   ha ) ( resid   56 and name  hb# ) 0.0 0.0 5.0
assign ( resid   53 and name   ha ) ( resid   61 and name  hg# ) 0.0 0.0 5.0
assign ( resid   55 and name   ha ) ( resid   55 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   55 and name   ha ) ( resid   55 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   55 and name   ha ) ( resid   55 and name  hd# ) 0.0 0.0 5.0
assign ( resid   55 and name  hb1 ) ( resid   55 and name   ha ) 0.0 0.0 3.5
assign ( resid   55 and name  hb1 ) ( resid   55 and name  hd# ) 0.0 0.0 5.0
assign ( resid   55 and name  hd# ) ( resid   55 and name   ha ) 0.0 0.0 5.0
assign ( resid   55 and name  hd# ) ( resid   55 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   55 and name  hd# ) ( resid   55 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   56 and name   ha ) ( resid   56 and name  hb# ) 0.0 0.0 3.5
assign ( resid   56 and name   ha ) ( resid   61 and name hg#  ) 0.0 0.0 5.0
assign ( resid   56 and name   ha ) ( resid   10 and name hg#  ) 0.0 0.0 5.0
assign ( resid   56 and name  hb# ) ( resid   10 and name hg#  ) 0.0 0.0 3.5
assign ( resid   56 and name  hb# ) ( resid   53 and name   ha ) 0.0 0.0 5.0
assign ( resid   56 and name  hb# ) ( resid   61 and name   hb ) 0.0 0.0 3.5
assign ( resid   56 and name  hb# ) ( resid   56 and name   ha ) 0.0 0.0 2.8
assign ( resid   56 and name  hb# ) ( resid   59 and name  ha# ) 0.0 0.0 5.0
assign ( resid   56 and name  hb# ) ( resid   61 and name hg#  ) 0.0 0.0 3.5
assign ( resid   56 and name  hb# ) ( resid   61 and name  ha  ) 0.0 0.0 5.0
assign ( resid   59 and name  ha1 ) ( resid   56 and name  hb# ) 0.0 0.0 5.0
assign ( resid   61 and name  hg# ) ( resid   61 and name   ha ) 0.0 0.0 5.0
assign ( resid   61 and name  hg# ) ( resid   61 and name   hb ) 0.0 0.0 3.5
assign ( resid   62 and name  hb1 ) ( resid   11 and name   ha ) 0.0 0.0 5.0
assign ( resid   62 and name  hb1 ) ( resid   62 and name   ha ) 0.0 0.0 3.5
assign ( resid   62 and name  hb2 ) ( resid   11 and name   ha ) 0.0 0.0 5.0
assign ( resid   62 and name  hb2 ) ( resid   62 and name   ha ) 0.0 0.0 3.5
assign ( resid   63 and name  hb1 ) ( resid   63 and name   ha ) 0.0 0.0 3.5
assign ( resid   63 and name  hb1 ) ( resid   63 and name  hd# ) 0.0 0.0 3.5
assign ( resid   63 and name  hb2 ) ( resid   63 and name   ha ) 0.0 0.0 3.5
assign ( resid   63 and name  hb2 ) ( resid   63 and name   hg ) 0.0 0.0 5.0
assign ( resid   63 and name  hb2 ) ( resid   63 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   63 and name  hb2 ) ( resid   63 and name  hd# ) 0.0 0.0 3.5
assign ( resid   63 and name hd1# ) ( resid   43 and name   hb ) 0.0 0.0 5.0
assign ( resid   63 and name hd1# ) ( resid   49 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   63 and name hd1# ) ( resid   49 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   63 and name hd1# ) ( resid   63 and name   ha ) 0.0 0.0 5.0
assign ( resid   63 and name hd1# ) ( resid   63 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   63 and name hd2# ) ( resid   43 and name   hb ) 0.0 0.0 5.0  !r
assign ( resid   63 and name hd2# ) ( resid   49 and name  hd1 ) 0.0 0.0 5.0
assign ( resid   63 and name hd2# ) ( resid   49 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   63 and name hd2# ) ( resid   63 and name   ha ) 0.0 0.0 3.5
assign ( resid   63 and name hd2# ) ( resid   63 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   64 and name  hb1 ) ( resid   13 and name   ha ) 0.0 0.0 5.0
assign ( resid   64 and name  hb1 ) ( resid   13 and name  hg# ) 0.0 0.0 5.0
assign ( resid   64 and name  hb1 ) ( resid   64 and name   ha ) 0.0 0.0 3.5
assign ( resid   64 and name  hb2 ) ( resid   13 and name   ha ) 0.0 0.0 5.0
assign ( resid   64 and name  hb2 ) ( resid   13 and name  hg# ) 0.0 0.0 5.0
assign ( resid   64 and name  hb2 ) ( resid   64 and name   ha ) 0.0 0.0 3.5
assign ( resid   64 and name  hb2 ) ( resid   64 and name  hb1 ) 0.0 0.0 2.8
assign ( resid   65 and name   ha ) ( resid   65 and name  hb# ) 0.0 0.0 2.8
assign ( resid   65 and name   ha ) ( resid   65 and name  he# ) 0.0 0.0 5.0
assign ( resid   65 and name  hb# ) ( resid   65 and name   ha ) 0.0 0.0 3.5
assign ( resid   65 and name  hb# ) ( resid   65 and name  hg# ) 0.0 0.0 3.5
assign ( resid   65 and name  hg1 ) ( resid   65 and name   ha ) 0.0 0.0 5.0
assign ( resid   65 and name  hg2 ) ( resid   65 and name   ha ) 0.0 0.0 5.0
assign ( resid   65 and name  hg# ) ( resid   14 and name  hd# ) 0.0 0.0 5.0

assign ( resid   65 and name  he# ) ( resid   14 and name  hd# ) 0.0 0.0 3.5
assign ( resid   65 and name  he# ) ( resid   43 and name  hd1#) 0.0 0.0 3.5
assign ( resid   65 and name  he# ) ( resid   43 and name  hg2#) 0.0 0.0 3.5
assign ( resid   65 and name  he# ) ( resid   65 and name  hg# ) 0.0 0.0 3.5
assign ( resid   65 and name  he# ) ( resid   43 and name   ha ) 0.0 0.0 5.0
assign ( resid   65 and name  he# ) ( resid   44 and name   ha ) 0.0 0.0 5.0
assign ( resid   65 and name  he# ) ( resid   65 and name   ha ) 0.0 0.0 5.0


assign ( resid   66 and name  hb# ) ( resid   66 and name   ha ) 0.0 0.0 3.5
assign ( resid   66 and name  hb# ) ( resid   66 and name  hg# ) 0.0 0.0 3.5
assign ( resid   66 and name  hb# ) ( resid   68 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   66 and name  hg# ) ( resid   15 and name  hg# ) 0.0 0.0 5.0
assign ( resid   66 and name  hg# ) ( resid   66 and name   ha ) 0.0 0.0 3.5
assign ( resid   66 and name  hg# ) ( resid   66 and name  hb# ) 0.0 0.0 2.8
assign ( resid   66 and name  hg# ) ( resid   68 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   67 and name  hb1 ) ( resid   67 and name   ha ) 0.0 0.0 3.5
assign ( resid   67 and name  hb1 ) ( resid   67 and name  hb2 ) 0.0 0.0 2.8
assign ( resid   67 and name  hb2 ) ( resid   67 and name   ha ) 0.0 0.0 3.5
assign ( resid   68 and name  hb# ) ( resid   17 and name   ha ) 0.0 0.0 5.0
assign ( resid   68 and name  hb# ) ( resid   68 and name   ha ) 0.0 0.0 5.0
assign ( resid   68 and name  hb# ) ( resid   68 and name  hd2 ) 0.0 0.0 5.0
assign ( resid   68 and name  hb# ) ( resid   71 and name  hb# ) 0.0 0.0 5.0
assign ( resid   68 and name  hd2 ) ( resid   15 and name   ha ) 0.0 0.0 5.0
assign ( resid   68 and name  hd2 ) ( resid   15 and name  hb# ) 0.0 0.0 5.0
assign ( resid   68 and name  hd2 ) ( resid   66 and name  hb# ) 0.0 0.0 3.5
assign ( resid   68 and name  hd2 ) ( resid   66 and name  hg# ) 0.0 0.0 5.0
assign ( resid   68 and name  hd2 ) ( resid   68 and name   hn ) 0.0 0.0 5.0
assign ( resid   68 and name  hd2 ) ( resid   68 and name  hb# ) 0.0 0.0 5.0
assign ( resid   69 and name   ha ) ( resid   17 and name   ha ) 0.0 0.0 6.0
assign ( resid   69 and name   ha ) ( resid   18 and name   ha ) 0.0 0.0 6.0
assign ( resid   69 and name   ha ) ( resid   69 and name  hb# ) 0.0 0.0 2.8
assign ( resid   69 and name   ha ) ( resid   69 and name  hd# ) 0.0 0.0 5.0
assign ( resid   69 and name   ha ) ( resid   69 and name  hg# ) 0.0 0.0 3.5  !r
assign ( resid   70 and name  hb1 ) ( resid   70 and name   ha ) 0.0 0.0 3.5
assign ( resid   70 and name  hb2 ) ( resid   70 and name   ha ) 0.0 0.0 3.5
assign ( resid   71 and name  hb# ) ( resid   71 and name   ha ) 0.0 0.0 3.5
assign ( resid   71 and name  hg# ) ( resid   71 and name   ha ) 0.0 0.0 5.0
assign ( resid   72 and name  hb1 ) ( resid   72 and name   ha ) 0.0 0.0 3.5
assign ( resid   73 and name   ha ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   73 and name   ha ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   73 and name   ha ) ( resid   73 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   73 and name   ha ) ( resid   73 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   73 and name   ha ) ( resid   73 and name  hd# ) 0.0 0.0 5.0
assign ( resid   73 and name   ha ) ( resid   74 and name   hb ) 0.0 0.0 5.0
assign ( resid   73 and name   ha ) ( resid   74 and name hg2# ) 0.0 0.0 5.0
assign ( resid   73 and name  hb1 ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   73 and name  hb1 ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   73 and name  hb1 ) ( resid   73 and name   ha ) 0.0 0.0 3.5
assign ( resid   73 and name  hb1 ) ( resid   73 and name  hd# ) 0.0 0.0 3.5
assign ( resid   73 and name  hb2 ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   73 and name  hb2 ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   73 and name  hb2 ) ( resid   73 and name  hd# ) 0.0 0.0 3.5
assign ( resid   73 and name  hd# ) ( resid   17 and name  he1 ) 0.0 0.0 5.0
assign ( resid   73 and name  hd# ) ( resid   28 and name   hg ) 0.0 0.0 5.0
assign ( resid   73 and name  hd# ) ( resid   28 and name hd1# ) 0.0 0.0 5.0
assign ( resid   73 and name  hd# ) ( resid   28 and name hd2# ) 0.0 0.0 5.0
assign ( resid   73 and name  hd# ) ( resid   73 and name   ha ) 0.0 0.0 5.0
assign ( resid   73 and name  hd# ) ( resid   73 and name  hb1 ) 0.0 0.0 3.5
assign ( resid   73 and name  hd# ) ( resid   73 and name  hb2 ) 0.0 0.0 3.5
assign ( resid   73 and name  hd# ) ( resid   73 and name  he# ) 0.0 0.0 2.8
assign ( resid   73 and name  he# ) ( resid   73 and name  hd# ) 0.0 0.0 2.8
assign ( resid   74 and name   ha ) ( resid   73 and name   ha ) 0.0 0.0 5.0
assign ( resid   74 and name   ha ) ( resid   74 and name  hg# ) 0.0 0.0 3.5
assign ( resid   74 and name   hb ) ( resid   74 and name   ha ) 0.0 0.0 3.5
assign ( resid   74 and name   hb ) ( resid   74 and name  hg# ) 0.0 0.0 2.8
assign ( resid   74 and name hg1# ) ( resid   74 and name   ha ) 0.0 0.0 3.5
assign ( resid   74 and name hg1# ) ( resid   74 and name   hb ) 0.0 0.0 3.5
assign ( resid   74 and name hg2# ) ( resid   73 and name   ha ) 0.0 0.0 5.0
assign ( resid   74 and name hg2# ) ( resid   74 and name   ha ) 0.0 0.0 3.5
assign ( resid   74 and name hg2# ) ( resid   74 and name   hb ) 0.0 0.0 3.5
assign ( resid   75 and name   ha ) ( resid   75 and name  hb# ) 0.0 0.0 2.8
assign ( resid   75 and name   ha ) ( resid   75 and name  hg# ) 0.0 0.0 3.5
assign ( resid   75 and name  hb1 ) ( resid   75 and name   ha ) 0.0 0.0 3.5
assign ( resid   75 and name  hb2 ) ( resid   75 and name   ha ) 0.0 0.0 3.5
assign ( resid   75 and name  hb# ) ( resid   74 and name   ha ) 0.0 0.0 5.0
assign ( resid   75 and name  hg# ) ( resid   74 and name   ha ) 0.0 0.0 5.0
assign ( resid   75 and name  hg# ) ( resid   75 and name   ha ) 0.0 0.0 5.0


assign (resid 9 and name c)(resid 10 and name n)
(resid 10 and name ca)(resid 10 and name c) $32    -124.040    30.0    2
assign (resid 10 and name n)(resid 10 and name ca)
(resid 10 and name c)(resid 11 and name n) $32    127.450    30.0    2
!    10
assign (resid 10 and name c)(resid 11 and name n)
(resid 11 and name ca)(resid 11 and name c) $32    -101.700    30.0    2
assign (resid 11 and name n)(resid 11 and name ca)
(resid 11 and name c)(resid 12 and name n) $32    128.580    30.0    2
!    11
assign (resid 11 and name c)(resid 12 and name n)
(resid 12 and name ca)(resid 12 and name c) $32    -130.010    30.0    2
assign (resid 12 and name n)(resid 12 and name ca)
(resid 12 and name c)(resid 13 and name n) $32    138.020    30.0    2
!    12
assign (resid 12 and name c)(resid 13 and name n)
(resid 13 and name ca)(resid 13 and name c) $32    -106.360    30.0    2
assign (resid 13 and name n)(resid 13 and name ca)
(resid 13 and name c)(resid 14 and name n) $32    126.920    30.0    2
!    13
assign (resid 13 and name c)(resid 14 and name n)
(resid 14 and name ca)(resid 14 and name c) $32    -116.410    30.0    2
assign (resid 14 and name n)(resid 14 and name ca)
(resid 14 and name c)(resid 15 and name n) $32    127.440    30.0    2
!    14
assign (resid 15 and name c)(resid 16 and name n)
(resid 16 and name ca)(resid 16 and name c) $32    -110.140    30.0    2
assign (resid 16 and name n)(resid 16 and name ca)
(resid 16 and name c)(resid 17 and name n) $32    129.020    30.0    2
!    16
assign (resid 16 and name c)(resid 17 and name n)
(resid 17 and name ca)(resid 17 and name c) $32    -113.790    30.0    2
assign (resid 17 and name n)(resid 17 and name ca)
(resid 17 and name c)(resid 18 and name n) $32    160.200    30.0    2
!    17
assign (resid 17 and name c)(resid 18 and name n)
(resid 18 and name ca)(resid 18 and name c) $32    -69.590    30.0    2
assign (resid 18 and name n)(resid 18 and name ca)
(resid 18 and name c)(resid 19 and name n) $32    -19.910    30.0    2
!    18
assign (resid 19 and name c)(resid 20 and name n)
(resid 20 and name ca)(resid 20 and name c) $32    -120.000    30.0    2
assign (resid 20 and name n)(resid 20 and name ca)
(resid 20 and name c)(resid 21 and name n) $32    120.000    30.0    2
!    20
assign (resid 20 and name c)(resid 21 and name n)
(resid 21 and name ca)(resid 21 and name c) $32    -120.000    30.0    2
assign (resid 21 and name n)(resid 21 and name ca)
(resid 21 and name c)(resid 22 and name n) $32    120.000    30.0    2
!    21
assign (resid 21 and name c)(resid 22 and name n)
(resid 22 and name ca)(resid 22 and name c) $32    -136.600    30.0    2
assign (resid 22 and name n)(resid 22 and name ca)
(resid 22 and name c)(resid 23 and name n) $32    146.780    30.0    2
!    22
assign (resid 28 and name c)(resid 29 and name n)
(resid 29 and name ca)(resid 29 and name c) $32    -120.000    30.0    2
assign (resid 29 and name n)(resid 29 and name ca)
(resid 29 and name c)(resid 30 and name n) $32    120.000    30.0    2
!    29
assign (resid 29 and name c)(resid 30 and name n)
(resid 30 and name ca)(resid 30 and name c) $32    -120.000    30.0    2
assign (resid 30 and name n)(resid 30 and name ca)
(resid 30 and name c)(resid 31 and name n) $32    120.000    30.0    2
!    30
assign (resid 34 and name c)(resid 35 and name n)
(resid 35 and name ca)(resid 35 and name c) $32    -74.500    30.0    2
assign (resid 35 and name n)(resid 35 and name ca)
(resid 35 and name c)(resid 36 and name n) $32    -22.390    30.0    2
!    35
assign (resid 35 and name c)(resid 36 and name n)
(resid 36 and name ca)(resid 36 and name c) $32    -64.540    30.0    2
assign (resid 36 and name n)(resid 36 and name ca)
(resid 36 and name c)(resid 37 and name n) $32    -37.470    30.0    2
!    36
assign (resid 36 and name c)(resid 37 and name n)
(resid 37 and name ca)(resid 37 and name c) $32    -65.800    30.0    2
assign (resid 37 and name n)(resid 37 and name ca)
(resid 37 and name c)(resid 38 and name n) $32    -40.440    30.0    2
!    37
assign (resid 37 and name c)(resid 38 and name n)
(resid 38 and name ca)(resid 38 and name c) $32    -63.550    30.0    2
assign (resid 38 and name n)(resid 38 and name ca)
(resid 38 and name c)(resid 39 and name n) $32    -43.420    30.0    2
!    38
assign (resid 38 and name c)(resid 39 and name n)
(resid 39 and name ca)(resid 39 and name c) $32    -64.330    30.0    2
assign (resid 39 and name n)(resid 39 and name ca)
(resid 39 and name c)(resid 40 and name n) $32    -40.200    30.0    2
!    39
assign (resid 39 and name c)(resid 40 and name n)
(resid 40 and name ca)(resid 40 and name c) $32    -60.750    30.0    2
assign (resid 40 and name n)(resid 40 and name ca)
(resid 40 and name c)(resid 41 and name n) $32    -37.980    30.0    2
!    40
assign (resid 40 and name c)(resid 41 and name n)
(resid 41 and name ca)(resid 41 and name c) $32    -64.410    30.0    2
assign (resid 41 and name n)(resid 41 and name ca)
(resid 41 and name c)(resid 42 and name n) $32    -40.290    30.0    2
!    41
assign (resid 41 and name c)(resid 42 and name n)
(resid 42 and name ca)(resid 42 and name c) $32    -68.940    30.0    2
assign (resid 42 and name n)(resid 42 and name ca)
(resid 42 and name c)(resid 43 and name n) $32    -40.640    30.0    2
!    42
assign (resid 42 and name c)(resid 43 and name n)
(resid 43 and name ca)(resid 43 and name c) $32    -69.440    30.0    2
assign (resid 43 and name n)(resid 43 and name ca)
(resid 43 and name c)(resid 44 and name n) $32    -36.840    30.0    2
!    43
assign (resid 43 and name c)(resid 44 and name n)
(resid 44 and name ca)(resid 44 and name c) $32    -67.610    30.0    2
assign (resid 44 and name n)(resid 44 and name ca)
(resid 44 and name c)(resid 45 and name n) $32    -28.630    30.0    2
!    44
assign (resid 44 and name c)(resid 45 and name n)
(resid 45 and name ca)(resid 45 and name c) $32    -99.740    30.0    2
assign (resid 45 and name n)(resid 45 and name ca)
(resid 45 and name c)(resid 46 and name n) $32    1.100    30.0    2
!    45
assign (resid 49 and name c)(resid 50 and name n)
(resid 50 and name ca)(resid 50 and name c) $32    -69.770    30.0    2
assign (resid 50 and name n)(resid 50 and name ca)
(resid 50 and name c)(resid 51 and name n) $32    -32.750    30.0    2
!    50
assign (resid 50 and name c)(resid 51 and name n)
(resid 51 and name ca)(resid 51 and name c) $32    -65.540    30.0    2
assign (resid 51 and name n)(resid 51 and name ca)
(resid 51 and name c)(resid 52 and name n) $32    -31.540    30.0    2
!    51
assign (resid 51 and name c)(resid 52 and name n)
(resid 52 and name ca)(resid 52 and name c) $32    -68.310    30.0    2
assign (resid 52 and name n)(resid 52 and name ca)
(resid 52 and name c)(resid 53 and name n) $32    -35.460    30.0    2
!    52
assign (resid 52 and name c)(resid 53 and name n)
(resid 53 and name ca)(resid 53 and name c) $32    -66.510    30.0    2
assign (resid 53 and name n)(resid 53 and name ca)
(resid 53 and name c)(resid 54 and name n) $32    -38.450    30.0    2
!    53
assign (resid 53 and name c)(resid 54 and name n)
(resid 54 and name ca)(resid 54 and name c) $32    -64.890    30.0    2
assign (resid 54 and name n)(resid 54 and name ca)
(resid 54 and name c)(resid 55 and name n) $32    -38.720    30.0    2
!    54
assign (resid 54 and name c)(resid 55 and name n)
(resid 55 and name ca)(resid 55 and name c) $32    -70.690    30.0    2
assign (resid 55 and name n)(resid 55 and name ca)
(resid 55 and name c)(resid 56 and name n) $32    -31.970    30.0    2
!    55
assign (resid 61 and name c)(resid 62 and name n)
(resid 62 and name ca)(resid 62 and name c) $32    -103.120    30.0    2
assign (resid 62 and name n)(resid 62 and name ca)
(resid 62 and name c)(resid 63 and name n) $32    122.250    30.0    2
!    62
assign (resid 62 and name c)(resid 63 and name n)
(resid 63 and name ca)(resid 63 and name c) $32    -104.950    30.0    2
assign (resid 63 and name n)(resid 63 and name ca)
(resid 63 and name c)(resid 64 and name n) $32    127.690    30.0    2
!    63
assign (resid 63 and name c)(resid 64 and name n)
(resid 64 and name ca)(resid 64 and name c) $32    -121.930    30.0    2
assign (resid 64 and name n)(resid 64 and name ca)
(resid 64 and name c)(resid 65 and name n) $32    139.690    30.0    2
!    64
assign (resid 64 and name c)(resid 65 and name n)
(resid 65 and name ca)(resid 65 and name c) $32    -106.480    30.0    2
assign (resid 65 and name n)(resid 65 and name ca)
(resid 65 and name c)(resid 66 and name n) $32    135.080    30.0    2
!    65
assign (resid 66 and name c)(resid 67 and name n)
(resid 67 and name ca)(resid 67 and name c) $32    -103.540    30.0    2
assign (resid 67 and name n)(resid 67 and name ca)
(resid 67 and name c)(resid 68 and name n) $32    119.370    30.0    2
!    67
assign (resid 68 and name c)(resid 69 and name n)
(resid 69 and name ca)(resid 69 and name c) $32    -65.840    30.0    2
assign (resid 69 and name n)(resid 69 and name ca)
(resid 69 and name c)(resid 70 and name n) $32    -32.910    30.0    2
!    69
assign (resid 69 and name c)(resid 70 and name n)
(resid 70 and name ca)(resid 70 and name c) $32    -84.630    30.0    2
assign (resid 70 and name n)(resid 70 and name ca)
(resid 70 and name c)(resid 71 and name n) $32    -18.510    30.0    2
!    70
assign (resid 71 and name c)(resid 72 and name n)
(resid 72 and name ca)(resid 72 and name c) $32    -105.510    30.0    2
assign (resid 72 and name n)(resid 72 and name ca)
(resid 72 and name c)(resid 73 and name n) $32    153.950    30.0    2
!    72




!hbonds betwn strands 1-2
! 15-22
assign (resid  15 and   name O    )(resid   22 and   name N    ) 0.0 0.0 3.3
assign (resid  15 and   name O    )(resid   22 and   name HN   ) 0.0 0.0 2.3
assign (resid  22 and   name O    )(resid   15 and   name N    ) 0.0 0.0 3.3
assign (resid  22 and   name O    )(resid   15 and   name HN   ) 0.0 0.0 2.3
! 17-20
assign (resid  17 and   name O    )(resid   20 and   name N    ) 0.0 0.0 3.3
assign (resid  17 and   name O    )(resid   20 and   name HN   ) 0.0 0.0 2.3
assign (resid  20 and   name O    )(resid   17 and   name N    ) 0.0 0.0 3.3
assign (resid  20 and   name O    )(resid   17 and   name HN   ) 0.0 0.0 2.3

!hbonds betwn strands 2-3
! 21-29
assign (resid  21 and   name O    )(resid   29 and   name N    ) 0.0 0.0 3.3
assign (resid  21 and   name O    )(resid   29 and   name HN   ) 0.0 0.0 2.3
assign (resid  29 and   name O    )(resid   21 and   name N    ) 0.0 0.0 3.3
assign (resid  29 and   name O    )(resid   21 and   name HN   ) 0.0 0.0 2.3

!hbonds betwn strands 4-1, parallel
!10-62
assign (resid  10 and   name O    )(resid   62 and   name N    ) 0.0 0.0 3.5
assign (resid  10 and   name O    )(resid   62 and   name HN   ) 0.0 0.0 2.5
!12-62
assign (resid  62 and   name O    )(resid   12 and   name N    ) 0.0 0.0 3.5
assign (resid  62 and   name O    )(resid   12 and   name HN   ) 0.0 0.0 2.5
!12-64
assign (resid  12 and   name O    )(resid   64 and   name N    ) 0.0 0.0 3.5
assign (resid  12 and   name O    )(resid   64 and   name HN   ) 0.0 0.0 2.5
!14-64
assign (resid  64 and   name O    )(resid   14 and   name N    ) 0.0 0.0 3.5
assign (resid  64 and   name O    )(resid   14 and   name HN   ) 0.0 0.0 2.5
!14-66
assign (resid  14 and   name O    )(resid   66 and   name N    ) 0.0 0.0 3.5
assign (resid  14 and   name O    )(resid   66 and   name HN   ) 0.0 0.0 2.5
!16-66
assign (resid  66 and   name O    )(resid   16 and   name N    ) 0.0 0.0 3.5
assign (resid  66 and   name O    )(resid   16 and   name HN   ) 0.0 0.0 2.5

!HBONDS: alpha helix 1
! 35-39
assign (resid  35 and   name O    )(resid  39 and    name N    ) 0.0 0.0 3.3
assign (resid  35 and   name O    )(resid  39 and    name HN   ) 0.0 0.0 2.3
! 36-40
assign (resid  36 and   name O    )(resid  40 and    name N    ) 0.0 0.0 3.3
assign (resid  36 and   name O    )(resid  40 and    name HN   ) 0.0 0.0 2.3
! 37-41
assign (resid  37 and   name O    )(resid  41 and    name N    ) 0.0 0.0 3.3
assign (resid  37 and   name O    )(resid  41 and    name HN   ) 0.0 0.0 2.3
! 38-42
assign (resid  38 and   name O    )(resid  42 and    name N    ) 0.0 0.0 3.3
assign (resid  38 and   name O    )(resid  42 and    name HN   ) 0.0 0.0 2.3
! 39-43
assign (resid  39 and   name O    )(resid  43 and    name N    ) 0.0 0.0 3.3
assign (resid  39 and   name O    )(resid  43 and    name HN   ) 0.0 0.0 2.3
! 40-44
assign (resid  40 and   name O    )(resid  44 and    name N    ) 0.0 0.0 3.3
assign (resid  40 and   name O    )(resid  44 and    name HN   ) 0.0 0.0 2.3
! 41-45
assign (resid  41 and   name O    )(resid  45 and    name N    ) 0.0 0.0 3.3
assign (resid  41 and   name O    )(resid  45 and    name HN   ) 0.0 0.0 2.3

!HBONDS: alpha helix 2
! 50-54
assign (resid  50 and   name O    )(resid  54 and    name N    ) 0.0 0.0 3.3
assign (resid  50 and   name O    )(resid  54 and    name HN   ) 0.0 0.0 2.3
! 51-55
assign (resid  51 and   name O    )(resid  55 and    name N    ) 0.0 0.0 3.3
assign (resid  51 and   name O    )(resid  55 and    name HN   ) 0.0 0.0 2.3

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLU   1           1HT      GLU   1   6.944 -21.081  13.519
    2    HA   GLU   1           HA       GLU   1   5.981 -22.716  14.790
    3   1HB   GLU   1          2HB       GLU   1   4.856 -20.595  15.972
    4   2HB   GLU   1          1HB       GLU   1   3.431 -21.186  15.115
    5   1HG   GLU   1          2HG       GLU   1   3.158 -22.799  16.656
    6   2HG   GLU   1          1HG       GLU   1   4.765 -23.428  16.295
    7    H    ARG   2           H        ARG   2   2.965 -23.040  14.535
    8    HA   ARG   2           HA       ARG   2   2.716 -24.703  12.349
    9   1HB   ARG   2          2HB       ARG   2   0.272 -23.931  12.402
   10   2HB   ARG   2          1HB       ARG   2   0.947 -24.450  13.948
   11   1HG   ARG   2          2HG       ARG   2   1.232 -22.214  14.700
   12   2HG   ARG   2          1HG       ARG   2   0.998 -21.557  13.078
   13   1HD   ARG   2          2HD       ARG   2  -1.349 -22.134  13.096
   14   2HD   ARG   2          1HD       ARG   2  -1.162 -23.051  14.606
   15    HE   ARG   2           HE       ARG   2  -0.424 -20.166  14.598
   16   1HH1  ARG   2          1HH2      ARG   2  -0.528 -21.643  17.154
   17   2HH1  ARG   2          2HH2      ARG   2  -2.106 -21.263  17.757
   18   1HH2  ARG   2          1HH1      ARG   2  -3.299 -20.153  14.695
   19   2HH2  ARG   2          2HH1      ARG   2  -3.675 -20.419  16.365
   20    H    ARG   3           H        ARG   3   2.610 -24.446  10.130
   21    HA   ARG   3           HA       ARG   3   1.903 -21.854   8.927
   22   1HB   ARG   3          2HB       ARG   3   4.614 -22.629   9.539
   23   2HB   ARG   3          1HB       ARG   3   4.418 -22.510   7.791
   24   1HG   ARG   3          2HG       ARG   3   3.524 -20.363   9.734
   25   2HG   ARG   3          1HG       ARG   3   5.071 -20.340   8.887
   26   1HD   ARG   3          2HD       ARG   3   2.539 -20.695   7.298
   27   2HD   ARG   3          1HD       ARG   3   3.032 -19.071   7.820
   28    HE   ARG   3           HE       ARG   3   5.250 -20.567   6.686
   29   1HH1  ARG   3          1HH1      ARG   3   2.257 -19.404   5.568
   30   2HH1  ARG   3          2HH1      ARG   3   2.921 -18.524   4.232
   31   1HH2  ARG   3          1HH2      ARG   3   6.217 -19.110   5.140
   32   2HH2  ARG   3          2HH2      ARG   3   5.162 -18.357   3.991
   33    H    ARG   4           H        ARG   4   3.172 -22.443   6.403
   34    HA   ARG   4           HA       ARG   4   2.746 -23.679   4.434
   35   1HB   ARG   4          2HB       ARG   4   2.347 -25.979   6.361
   36   2HB   ARG   4          1HB       ARG   4   2.978 -26.046   4.715
   37   1HG   ARG   4          2HG       ARG   4   4.835 -24.452   5.621
   38   2HG   ARG   4          1HG       ARG   4   4.321 -25.027   7.207
   39   1HD   ARG   4          2HD       ARG   4   4.567 -27.290   5.444
   40   2HD   ARG   4          1HD       ARG   4   6.069 -26.344   5.397
   41    HE   ARG   4           HE       ARG   4   6.302 -26.651   7.781
   42   1HH1  ARG   4          1HH1      ARG   4   3.454 -26.520   8.612
   43   2HH1  ARG   4          2HH1      ARG   4   3.109 -28.163   9.040
   44   1HH2  ARG   4          1HH2      ARG   4   5.873 -29.450   7.390
   45   2HH2  ARG   4          2HH2      ARG   4   4.479 -29.821   8.347
   46    H    HIS   5           H        HIS   5   0.534 -22.267   5.293
   47    HA   HIS   5           HA       HIS   5  -1.749 -24.194   5.247
   48   1HB   HIS   5          2HB       HIS   5  -1.473 -22.436   7.049
   49   2HB   HIS   5          1HB       HIS   5  -1.706 -21.213   5.800
   50    HD1  HIS   5           1HD      HIS   5  -3.625 -24.428   5.668
   51    HD2  HIS   5           2HD      HIS   5  -4.269 -20.478   6.833
   52    HE1  HIS   5           1HE      HIS   5  -6.121 -24.180   6.008
   53    H    SER   6           H        SER   6  -0.032 -21.945   3.284
   54    HA   SER   6           HA       SER   6  -1.840 -22.421   1.027
   55   1HB   SER   6          2HB       SER   6  -2.104 -19.811   0.854
   56   2HB   SER   6          1HB       SER   6  -3.150 -20.711   1.949
   57    HG   SER   6           HG       SER   6  -2.036 -18.802   2.829
   58    H    GLY   7           H        GLY   7  -0.934 -21.501  -0.981
   59   1HA   GLY   7          2HA       GLY   7   2.014 -21.174  -0.779
   60   2HA   GLY   7          1HA       GLY   7   1.128 -21.580  -2.250
   61    H    GLN   8           H        GLN   8  -0.302 -19.814  -3.129
   62    HA   GLN   8           HA       GLN   8   1.000 -17.473  -3.784
   63   1HB   GLN   8          2HB       GLN   8  -1.929 -18.046  -3.271
   64   2HB   GLN   8          1HB       GLN   8  -1.373 -16.554  -4.029
   65   1HG   GLN   8          2HG       GLN   8  -0.333 -17.799  -5.839
   66   2HG   GLN   8          1HG       GLN   8  -0.719 -19.331  -5.053
   67   1HE2  GLN   8          1HE2      GLN   8  -2.186 -20.139  -6.651
   68   2HE2  GLN   8          2HE2      GLN   8  -3.661 -19.382  -7.015
   69    H    ASP   9           H        ASP   9   0.833 -15.250  -2.964
   70    HA   ASP   9           HA       ASP   9  -0.003 -14.991  -0.109
   71   1HB   ASP   9          2HB       ASP   9   2.571 -15.492  -0.809
   72   2HB   ASP   9          1HB       ASP   9   2.565 -13.731  -0.913
   73    H    VAL  10           H        VAL  10  -0.221 -12.685   0.521
   74    HA   VAL  10           HA       VAL  10  -1.122 -11.034  -1.737
   75    HB   VAL  10           HB       VAL  10  -2.496 -11.506   0.304
   76   1HG1  VAL  10          1HG1      VAL  10  -1.861 -10.773   2.425
   77   2HG1  VAL  10          2HG1      VAL  10  -0.743  -9.569   1.783
   78   3HG1  VAL  10          3HG1      VAL  10  -0.311 -11.279   1.754
   79   1HG2  VAL  10          1HG2      VAL  10  -1.761  -8.578   0.040
   80   2HG2  VAL  10          2HG2      VAL  10  -3.316  -9.250   0.530
   81   3HG2  VAL  10          3HG2      VAL  10  -2.760  -9.438  -1.133
   82    H    HIS  11           H        HIS  11   0.811 -10.144  -2.621
   83    HA   HIS  11           HA       HIS  11   2.392  -8.408  -0.749
   84   1HB   HIS  11          2HB       HIS  11   3.301 -10.645  -1.916
   85   2HB   HIS  11          1HB       HIS  11   3.584  -9.525  -3.249
   86    HD1  HIS  11           1HD      HIS  11   5.696  -8.199  -3.118
   87    HD2  HIS  11           2HD      HIS  11   4.539  -9.620   0.627
   88    HE1  HIS  11           1HE      HIS  11   7.535  -7.544  -1.505
   89    H    VAL  12           H        VAL  12   2.934  -6.336  -1.553
   90    HA   VAL  12           HA       VAL  12   2.317  -5.608  -4.341
   91    HB   VAL  12           HB       VAL  12   0.863  -3.753  -2.747
   92   1HG1  VAL  12          1HG1      VAL  12  -0.936  -4.367  -4.168
   93   2HG1  VAL  12          2HG1      VAL  12  -0.316  -6.006  -4.376
   94   3HG1  VAL  12          3HG1      VAL  12   0.513  -4.647  -5.135
   95   1HG2  VAL  12          1HG2      VAL  12  -0.691  -5.115  -1.526
   96   2HG2  VAL  12          2HG2      VAL  12   0.919  -5.650  -1.046
   97   3HG2  VAL  12          3HG2      VAL  12  -0.018  -6.599  -2.200
   98    H    VAL  13           H        VAL  13   2.801  -3.209  -4.670
   99    HA   VAL  13           HA       VAL  13   4.783  -2.204  -2.654
  100    HB   VAL  13           HB       VAL  13   4.996  -2.048  -5.675
  101   1HG1  VAL  13          1HG1      VAL  13   7.512  -1.850  -4.721
  102   2HG1  VAL  13          2HG1      VAL  13   6.635  -1.165  -3.353
  103   3HG1  VAL  13          3HG1      VAL  13   6.472  -0.444  -4.953
  104   1HG2  VAL  13          1HG2      VAL  13   5.573  -4.234  -3.801
  105   2HG2  VAL  13          2HG2      VAL  13   6.970  -3.771  -4.775
  106   3HG2  VAL  13          3HG2      VAL  13   5.470  -4.264  -5.561
  107    H    LEU  14           H        LEU  14   4.064  -0.242  -1.915
  108    HA   LEU  14           HA       LEU  14   2.468   1.473  -3.784
  109   1HB   LEU  14          2HB       LEU  14   2.118   2.287  -1.094
  110   2HB   LEU  14          1HB       LEU  14   0.955   1.446  -2.108
  111    HG   LEU  14           HG       LEU  14   2.250  -0.707  -1.430
  112   1HD1  LEU  14          1HD1      LEU  14   2.864   0.450   1.163
  113   2HD1  LEU  14          2HD1      LEU  14   3.799   1.229  -0.112
  114   3HD1  LEU  14          3HD1      LEU  14   3.892  -0.518   0.107
  115   1HD2  LEU  14          1HD2      LEU  14   0.071  -0.581  -0.618
  116   2HD2  LEU  14          2HD2      LEU  14   0.364   0.938   0.227
  117   3HD2  LEU  14          3HD2      LEU  14   0.987  -0.574   0.888
  118    H    LYS  15           H        LYS  15   3.550   3.303  -4.401
  119    HA   LYS  15           HA       LYS  15   5.922   4.166  -2.910
  120   1HB   LYS  15          2HB       LYS  15   6.420   4.288  -5.145
  121   2HB   LYS  15          1HB       LYS  15   4.727   4.472  -5.602
  122   1HG   LYS  15          2HG       LYS  15   4.767   6.765  -5.372
  123   2HG   LYS  15          1HG       LYS  15   6.023   6.727  -4.134
  124   1HD   LYS  15          2HD       LYS  15   6.680   7.601  -6.482
  125   2HD   LYS  15          1HD       LYS  15   7.744   6.417  -5.722
  126   1HE   LYS  15          2HE       LYS  15   6.774   4.612  -7.034
  127   2HE   LYS  15          1HE       LYS  15   5.554   5.711  -7.707
  128   1HZ   LYS  15          1HZ       LYS  15   7.627   5.364  -9.097
  129   2HZ   LYS  15          2HZ       LYS  15   8.458   6.255  -7.913
  130   3HZ   LYS  15          3HZ       LYS  15   7.192   6.973  -8.788
  131    H    LEU  16           H        LEU  16   6.074   6.285  -1.956
  132    HA   LEU  16           HA       LEU  16   3.409   7.580  -1.495
  133   1HB   LEU  16          2HB       LEU  16   5.353   6.568   0.230
  134   2HB   LEU  16          1HB       LEU  16   5.598   8.313   0.293
  135    HG   LEU  16           HG       LEU  16   3.159   8.604   0.722
  136   1HD1  LEU  16          1HD1      LEU  16   1.834   6.605   1.319
  137   2HD1  LEU  16          2HD1      LEU  16   3.203   5.575   0.903
  138   3HD1  LEU  16          3HD1      LEU  16   2.395   6.517  -0.350
  139   1HD2  LEU  16          1HD2      LEU  16   3.208   7.692   3.046
  140   2HD2  LEU  16          2HD2      LEU  16   4.704   8.522   2.619
  141   3HD2  LEU  16          3HD2      LEU  16   4.645   6.759   2.622
  142    H    TRP  17           H        TRP  17   3.208   9.368  -2.783
  143    HA   TRP  17           HA       TRP  17   5.566  10.915  -3.636
  144   1HB   TRP  17          2HB       TRP  17   2.618  11.434  -4.092
  145   2HB   TRP  17          1HB       TRP  17   3.966  11.973  -5.077
  146    HD1  TRP  17           HD       TRP  17   2.006   8.839  -4.179
  147    HE1  TRP  17           1HE      TRP  17   2.381   7.087  -5.985
  148    HE3  TRP  17           3HE      TRP  17   5.532  11.140  -6.981
  149    HZ2  TRP  17           2HZ      TRP  17   3.935   6.661  -8.318
  150    HZ3  TRP  17           3HZ      TRP  17   6.457  10.060  -9.008
  151    HH2  TRP  17           HH       TRP  17   5.657   7.809  -9.680
  152    H    LYS  18           H        LYS  18   5.344  13.395  -3.416
  153    HA   LYS  18           HA       LYS  18   5.579  14.366  -0.875
  154   1HB   LYS  18          2HB       LYS  18   5.225  15.379  -3.455
  155   2HB   LYS  18          1HB       LYS  18   3.981  16.183  -2.495
  156   1HG   LYS  18          2HG       LYS  18   5.502  17.346  -1.256
  157   2HG   LYS  18          1HG       LYS  18   6.640  15.999  -1.210
  158   1HD   LYS  18          2HD       LYS  18   6.461  16.867  -3.917
  159   2HD   LYS  18          1HD       LYS  18   6.686  18.302  -2.916
  160   1HE   LYS  18          2HE       LYS  18   8.420  16.270  -1.895
  161   2HE   LYS  18          1HE       LYS  18   8.655  16.361  -3.653
  162   1HZ   LYS  18          1HZ       LYS  18   8.700  18.621  -1.724
  163   2HZ   LYS  18          2HZ       LYS  18   8.706  18.813  -3.412
  164   3HZ   LYS  18          3HZ       LYS  18  10.004  18.039  -2.638
  165    H    THR  19           H        THR  19   2.419  14.249  -2.588
  166    HA   THR  19           HA       THR  19   1.098  14.121   0.098
  167    HB   THR  19           HB       THR  19   1.078  16.442  -0.717
  168    HG1  THR  19           1HG      THR  19  -1.477  15.409  -1.279
  169   1HG2  THR  19          1HG2      THR  19   1.341  16.389  -3.024
  170   2HG2  THR  19          2HG2      THR  19  -0.386  16.725  -2.897
  171   3HG2  THR  19          3HG2      THR  19   0.172  15.085  -3.229
  172    H    GLY  20           H        GLY  20   1.683  12.204  -2.197
  173   1HA   GLY  20          2HA       GLY  20  -1.013  11.075  -2.338
  174   2HA   GLY  20          1HA       GLY  20  -0.277  11.453  -3.886
  175    H    PHE  21           H        PHE  21  -0.961   8.815  -2.887
  176    HA   PHE  21           HA       PHE  21   1.795   7.617  -2.832
  177   1HB   PHE  21          2HB       PHE  21   0.793   5.878  -1.350
  178   2HB   PHE  21          1HB       PHE  21   0.692   7.489  -0.642
  179    HD1  PHE  21           1HD      PHE  21  -1.242   4.925  -2.530
  180    HD2  PHE  21           2HD      PHE  21  -1.420   8.495  -0.169
  181    HE1  PHE  21           1HE      PHE  21  -3.692   4.711  -2.395
  182    HE2  PHE  21           2HE      PHE  21  -3.871   8.284  -0.033
  183    HZ   PHE  21           HZ       PHE  21  -4.988   6.393  -1.149
  184    H    SER  22           H        SER  22   2.117   5.953  -4.326
  185    HA   SER  22           HA       SER  22  -0.230   5.238  -6.045
  186   1HB   SER  22          2HB       SER  22   1.530   6.198  -7.324
  187   2HB   SER  22          1HB       SER  22   2.762   5.299  -6.446
  188    HG   SER  22           HG       SER  22   2.418   3.633  -7.687
  189    H    LEU  23           H        LEU  23   0.169   2.949  -7.061
  190    HA   LEU  23           HA       LEU  23   1.391   0.968  -5.271
  191   1HB   LEU  23          2HB       LEU  23  -1.237   1.877  -4.836
  192   2HB   LEU  23          1HB       LEU  23  -1.388   0.282  -5.570
  193    HG   LEU  23           HG       LEU  23   0.688   0.518  -3.480
  194   1HD1  LEU  23          1HD1      LEU  23  -1.475   1.861  -2.778
  195   2HD1  LEU  23          2HD1      LEU  23  -0.724   0.745  -1.639
  196   3HD1  LEU  23          3HD1      LEU  23  -2.152   0.249  -2.547
  197   1HD2  LEU  23          1HD2      LEU  23   0.426  -1.679  -4.074
  198   2HD2  LEU  23          2HD2      LEU  23  -1.249  -1.452  -4.574
  199   3HD2  LEU  23          3HD2      LEU  23  -0.855  -1.620  -2.864
  200    H    ASP  24           H        ASP  24   2.401  -0.154  -6.918
  201    HA   ASP  24           HA       ASP  24   2.622  -1.514  -8.837
  202   1HB   ASP  24          2HB       ASP  24  -0.170  -1.799  -7.833
  203   2HB   ASP  24          1HB       ASP  24   0.162  -2.440  -9.442
  204    H    ASN  25           H        ASN  25   1.342  -1.803 -11.138
  205    HA   ASN  25           HA       ASN  25   1.707   0.452 -12.693
  206   1HB   ASN  25          2HB       ASN  25   0.351  -0.689 -14.310
  207   2HB   ASN  25          1HB       ASN  25   1.086  -1.948 -13.318
  208   1HD2  ASN  25          1HD2      ASN  25  -1.552  -1.977 -14.813
  209   2HD2  ASN  25          2HD2      ASN  25  -2.717  -2.348 -13.637
  210    H    GLY  26           H        GLY  26  -0.978  -0.201 -10.537
  211   1HA   GLY  26          2HA       GLY  26  -3.045   1.380 -11.420
  212   2HA   GLY  26          1HA       GLY  26  -2.586   1.339  -9.719
  213    H    ASP  27           H        ASP  27  -3.624   3.653 -10.976
  214    HA   ASP  27           HA       ASP  27  -1.495   5.461 -11.724
  215   1HB   ASP  27          2HB       ASP  27  -4.285   6.129 -10.774
  216   2HB   ASP  27          1HB       ASP  27  -3.291   7.023 -11.923
  217    H    LEU  28           H        LEU  28  -1.697   7.725 -10.369
  218    HA   LEU  28           HA       LEU  28  -0.621   7.119  -7.724
  219   1HB   LEU  28          2HB       LEU  28   0.437   8.834  -8.928
  220   2HB   LEU  28          1HB       LEU  28  -1.097   9.533  -9.407
  221    HG   LEU  28           HG       LEU  28  -1.203   9.632  -6.635
  222   1HD1  LEU  28          1HD1      LEU  28   1.413   9.120  -7.098
  223   2HD1  LEU  28          2HD1      LEU  28   0.855  10.124  -5.760
  224   3HD1  LEU  28          3HD1      LEU  28   1.424  10.878  -7.250
  225   1HD2  LEU  28          1HD2      LEU  28  -1.523  11.345  -8.733
  226   2HD2  LEU  28          2HD2      LEU  28  -0.054  11.996  -8.004
  227   3HD2  LEU  28          3HD2      LEU  28  -1.528  11.857  -7.045
  228    H    ARG  29           H        ARG  29  -1.810   7.100  -5.840
  229    HA   ARG  29           HA       ARG  29  -4.663   7.894  -5.962
  230   1HB   ARG  29          2HB       ARG  29  -2.889   6.176  -4.317
  231   2HB   ARG  29          1HB       ARG  29  -4.226   6.936  -3.455
  232   1HG   ARG  29          2HG       ARG  29  -5.475   5.215  -4.234
  233   2HG   ARG  29          1HG       ARG  29  -5.437   6.067  -5.777
  234   1HD   ARG  29          2HD       ARG  29  -2.980   4.641  -5.571
  235   2HD   ARG  29          1HD       ARG  29  -4.284   3.514  -5.145
  236    HE   ARG  29           HE       ARG  29  -4.394   5.197  -7.623
  237   1HH1  ARG  29          1HH2      ARG  29  -3.309   2.230  -7.248
  238   2HH1  ARG  29          2HH2      ARG  29  -4.626   1.373  -7.977
  239   1HH2  ARG  29          1HH1      ARG  29  -6.754   4.112  -7.978
  240   2HH2  ARG  29          2HH1      ARG  29  -6.577   2.438  -8.392
  241    H    SER  30           H        SER  30  -5.553   9.457  -4.502
  242    HA   SER  30           HA       SER  30  -3.657  11.579  -3.709
  243   1HB   SER  30          2HB       SER  30  -6.107  11.564  -4.847
  244   2HB   SER  30          1HB       SER  30  -6.581  11.713  -3.158
  245    HG   SER  30           HG       SER  30  -5.947  13.707  -3.239
  246    H    TYR  31           H        TYR  31  -2.945  11.798  -1.614
  247    HA   TYR  31           HA       TYR  31  -3.348  10.016   0.484
  248   1HB   TYR  31          2HB       TYR  31  -2.370  12.714   0.071
  249   2HB   TYR  31          1HB       TYR  31  -3.162  12.581   1.639
  250    HD1  TYR  31           1HD      TYR  31  -0.725  10.752  -0.546
  251    HD2  TYR  31           2HD      TYR  31  -1.981  11.695   3.452
  252    HE1  TYR  31           1HE      TYR  31   1.253   9.556   0.357
  253    HE2  TYR  31           2HE      TYR  31  -0.004  10.501   4.354
  254    HH   TYR  31           HH       TYR  31   1.632   8.971   3.796
  255    H    GLN  32           H        GLN  32  -5.579  12.405  -0.722
  256    HA   GLN  32           HA       GLN  32  -7.359  11.996   1.607
  257   1HB   GLN  32          2HB       GLN  32  -6.539  14.235   0.027
  258   2HB   GLN  32          1HB       GLN  32  -8.279  14.024  -0.168
  259   1HG   GLN  32          2HG       GLN  32  -8.619  14.082   2.229
  260   2HG   GLN  32          1HG       GLN  32  -6.879  14.086   2.518
  261   1HE2  GLN  32          1HE2      GLN  32  -5.991  16.131   2.832
  262   2HE2  GLN  32          2HE2      GLN  32  -6.674  17.584   2.279
  263    H    ASP  33           H        ASP  33  -6.868  10.843  -1.483
  264    HA   ASP  33           HA       ASP  33  -9.477  10.818  -2.649
  265   1HB   ASP  33          2HB       ASP  33  -6.871   9.882  -3.156
  266   2HB   ASP  33          1HB       ASP  33  -7.891   8.445  -3.180
  267    HA   PRO  34           HA       PRO  34 -11.462   7.438  -0.608
  268   1HB   PRO  34          2HB       PRO  34 -12.188   5.673  -2.559
  269   2HB   PRO  34          1HB       PRO  34 -12.921   7.279  -2.390
  270   1HG   PRO  34          2HG       PRO  34 -10.968   6.299  -4.367
  271   2HG   PRO  34          1HG       PRO  34 -12.166   7.591  -4.503
  272   1HD   PRO  34          2HD       PRO  34  -9.402   7.895  -4.059
  273   2HD   PRO  34          1HD       PRO  34 -10.643   9.160  -3.946
  274    H    SER  35           H        SER  35  -9.666   5.613  -3.129
  275    HA   SER  35           HA       SER  35  -9.216   3.228  -1.807
  276   1HB   SER  35          2HB       SER  35  -8.460   3.502  -4.039
  277   2HB   SER  35          1HB       SER  35  -7.498   4.918  -3.625
  278    HG   SER  35           HG       SER  35  -6.968   2.446  -2.397
  279    H    ASN  36           H        ASN  36  -7.727   6.326  -1.100
  280    HA   ASN  36           HA       ASN  36  -5.508   5.410   0.434
  281   1HB   ASN  36          2HB       ASN  36  -5.354   7.684   1.085
  282   2HB   ASN  36          1HB       ASN  36  -6.114   7.734  -0.505
  283   1HD2  ASN  36          1HD2      ASN  36  -6.831   9.937   0.541
  284   2HD2  ASN  36          2HD2      ASN  36  -8.301   9.918   1.390
  285    H    ALA  37           H        ALA  37  -8.817   5.065   1.037
  286    HA   ALA  37           HA       ALA  37  -9.031   5.486   3.835
  287   1HB   ALA  37          1HB       ALA  37 -10.763   4.937   1.955
  288   2HB   ALA  37          2HB       ALA  37 -11.058   4.304   3.575
  289   3HB   ALA  37          3HB       ALA  37 -10.388   3.255   2.328
  290    H    GLN  38           H        GLN  38  -8.487   2.414   2.076
  291    HA   GLN  38           HA       GLN  38  -7.612   1.064   4.530
  292   1HB   GLN  38          2HB       GLN  38  -8.840   0.153   2.391
  293   2HB   GLN  38          1HB       GLN  38  -7.211   0.041   1.726
  294   1HG   GLN  38          2HG       GLN  38  -7.392  -2.061   2.712
  295   2HG   GLN  38          1HG       GLN  38  -6.703  -1.147   4.054
  296   1HE2  GLN  38          1HE2      GLN  38  -9.350   0.340   4.403
  297   2HE2  GLN  38          2HE2      GLN  38 -10.360  -0.771   5.195
  298    H    PHE  39           H        PHE  39  -6.110   2.629   1.742
  299    HA   PHE  39           HA       PHE  39  -3.461   1.607   2.045
  300   1HB   PHE  39          2HB       PHE  39  -4.392   2.953   0.134
  301   2HB   PHE  39          1HB       PHE  39  -4.373   4.369   1.182
  302    HD1  PHE  39           1HD      PHE  39  -2.537   2.663  -1.275
  303    HD2  PHE  39           2HD      PHE  39  -2.025   4.706   2.471
  304    HE1  PHE  39           1HE      PHE  39  -0.152   3.047  -1.809
  305    HE2  PHE  39           2HE      PHE  39   0.362   5.091   1.931
  306    HZ   PHE  39           HZ       PHE  39   1.298   4.259  -0.209
  307    H    LEU  40           H        LEU  40  -4.738   4.746   3.124
  308    HA   LEU  40           HA       LEU  40  -2.602   5.495   4.780
  309   1HB   LEU  40          2HB       LEU  40  -4.952   6.506   3.946
  310   2HB   LEU  40          1HB       LEU  40  -5.365   6.089   5.594
  311    HG   LEU  40           HG       LEU  40  -4.074   7.749   6.482
  312   1HD1  LEU  40          1HD1      LEU  40  -2.140   7.200   4.215
  313   2HD1  LEU  40          2HD1      LEU  40  -1.932   6.794   5.919
  314   3HD1  LEU  40          3HD1      LEU  40  -1.899   8.480   5.402
  315   1HD2  LEU  40          1HD2      LEU  40  -3.593   9.472   4.408
  316   2HD2  LEU  40          2HD2      LEU  40  -5.150   9.309   5.223
  317   3HD2  LEU  40          3HD2      LEU  40  -4.844   8.435   3.720
  318    H    GLU  41           H        GLU  41  -5.557   3.718   5.623
  319    HA   GLU  41           HA       GLU  41  -4.886   3.342   8.382
  320   1HB   GLU  41          2HB       GLU  41  -7.104   2.950   8.122
  321   2HB   GLU  41          1HB       GLU  41  -6.905   2.541   6.419
  322   1HG   GLU  41          2HG       GLU  41  -7.731   0.609   7.728
  323   2HG   GLU  41          1HG       GLU  41  -6.147   0.288   7.030
  324    H    SER  42           H        SER  42  -4.797   1.023   5.666
  325    HA   SER  42           HA       SER  42  -3.419  -0.987   7.184
  326   1HB   SER  42          2HB       SER  42  -4.333  -0.531   4.407
  327   2HB   SER  42          1HB       SER  42  -3.039  -1.697   4.612
  328    HG   SER  42           HG       SER  42  -5.494  -1.680   6.037
  329    H    ILE  43           H        ILE  43  -2.277   0.990   4.425
  330    HA   ILE  43           HA       ILE  43   0.401   0.266   4.410
  331    HB   ILE  43           HB       ILE  43  -1.233   2.495   3.598
  332   1HG1  ILE  43          2HG1      ILE  43   0.518   0.624   2.501
  333   2HG1  ILE  43          1HG1      ILE  43  -0.341   1.893   1.636
  334   1HG2  ILE  43          1HG2      ILE  43   1.525   3.106   4.640
  335   2HG2  ILE  43          2HG2      ILE  43   0.018   3.956   4.982
  336   3HG2  ILE  43          3HG2      ILE  43   0.764   4.090   3.390
  337   1HD1  ILE  43          1HD1      ILE  43   1.565   3.449   2.144
  338   2HD1  ILE  43          2HD1      ILE  43   2.025   2.087   1.125
  339   3HD1  ILE  43          3HD1      ILE  43   2.435   2.082   2.840
  340    H    ARG  44           H        ARG  44  -1.207   2.577   6.550
  341    HA   ARG  44           HA       ARG  44   1.067   3.483   7.991
  342   1HB   ARG  44          2HB       ARG  44  -1.872   3.232   8.434
  343   2HB   ARG  44          1HB       ARG  44  -0.869   3.590   9.839
  344   1HG   ARG  44          2HG       ARG  44  -0.289   5.161   7.384
  345   2HG   ARG  44          1HG       ARG  44  -1.813   5.515   8.196
  346   1HD   ARG  44          2HD       ARG  44  -0.773   6.389  10.056
  347   2HD   ARG  44          1HD       ARG  44   0.598   5.267   9.938
  348    HE   ARG  44           HE       ARG  44   1.607   6.716   8.309
  349   1HH1  ARG  44          1HH2      ARG  44   0.516   8.807  10.215
  350   2HH1  ARG  44          2HH2      ARG  44  -0.259   9.901   9.119
  351   1HH2  ARG  44          1HH1      ARG  44  -0.278   7.656   6.476
  352   2HH2  ARG  44          2HH1      ARG  44  -0.707   9.250   7.002
  353    H    ARG  45           H        ARG  45  -1.138   0.772   8.655
  354    HA   ARG  45           HA       ARG  45   0.436  -0.187  10.899
  355   1HB   ARG  45          2HB       ARG  45  -2.051  -0.874   9.427
  356   2HB   ARG  45          1HB       ARG  45  -1.272  -2.193  10.302
  357   1HG   ARG  45          2HG       ARG  45  -1.132  -0.308  12.208
  358   2HG   ARG  45          1HG       ARG  45  -2.559   0.279  11.355
  359   1HD   ARG  45          2HD       ARG  45  -2.333  -2.639  12.094
  360   2HD   ARG  45          1HD       ARG  45  -2.926  -1.450  13.270
  361    HE   ARG  45           HE       ARG  45  -4.422  -0.772  11.135
  362   1HH1  ARG  45          1HH1      ARG  45  -3.272  -3.909  11.118
  363   2HH1  ARG  45          2HH1      ARG  45  -4.826  -4.674  11.123
  364   1HH2  ARG  45          1HH2      ARG  45  -6.569  -1.731  11.689
  365   2HH2  ARG  45          2HH2      ARG  45  -6.692  -3.441  11.445
  366    H    GLY  46           H        GLY  46   0.207  -0.891   7.462
  367   1HA   GLY  46          2HA       GLY  46   2.395  -1.825   6.561
  368   2HA   GLY  46          1HA       GLY  46   2.204  -3.040   7.812
  369    H    GLU  47           H        GLU  47  -0.309  -1.706   5.696
  370    HA   GLU  47           HA       GLU  47  -0.503  -4.345   4.316
  371   1HB   GLU  47          2HB       GLU  47  -3.144  -3.403   4.881
  372   2HB   GLU  47          1HB       GLU  47  -2.375  -4.871   5.467
  373   1HG   GLU  47          2HG       GLU  47  -1.821  -2.214   6.778
  374   2HG   GLU  47          1HG       GLU  47  -3.234  -3.168   7.222
  375    H    VAL  48           H        VAL  48  -1.488  -4.195   2.226
  376    HA   VAL  48           HA       VAL  48  -1.426  -1.528   1.025
  377    HB   VAL  48           HB       VAL  48  -1.362  -4.382   0.188
  378   1HG1  VAL  48          1HG1      VAL  48  -3.284  -3.437  -1.100
  379   2HG1  VAL  48          2HG1      VAL  48  -1.922  -3.867  -2.132
  380   3HG1  VAL  48          3HG1      VAL  48  -2.214  -2.179  -1.717
  381   1HG2  VAL  48          1HG2      VAL  48   0.424  -2.263   0.321
  382   2HG2  VAL  48          2HG2      VAL  48   0.042  -2.358  -1.398
  383   3HG2  VAL  48          3HG2      VAL  48   0.685  -3.768  -0.557
  384    HA   PRO  49           HA       PRO  49  -5.796  -0.999   1.116
  385   1HB   PRO  49          2HB       PRO  49  -6.106   0.624  -1.061
  386   2HB   PRO  49          1HB       PRO  49  -5.418   1.182   0.477
  387   1HG   PRO  49          2HG       PRO  49  -4.026   0.355  -2.028
  388   2HG   PRO  49          1HG       PRO  49  -3.681   1.706  -0.942
  389   1HD   PRO  49          2HD       PRO  49  -2.258  -0.594  -0.892
  390   2HD   PRO  49          1HD       PRO  49  -2.539   0.390   0.562
  391    H    ALA  50           H        ALA  50  -4.325  -2.040  -1.949
  392    HA   ALA  50           HA       ALA  50  -6.971  -3.076  -2.857
  393   1HB   ALA  50          1HB       ALA  50  -4.994  -1.698  -4.109
  394   2HB   ALA  50          2HB       ALA  50  -6.136  -2.741  -4.957
  395   3HB   ALA  50          3HB       ALA  50  -4.537  -3.349  -4.526
  396    H    GLU  51           H        GLU  51  -3.614  -4.327  -3.005
  397    HA   GLU  51           HA       GLU  51  -4.246  -7.027  -3.434
  398   1HB   GLU  51          2HB       GLU  51  -2.006  -5.468  -3.095
  399   2HB   GLU  51          1HB       GLU  51  -1.934  -6.526  -1.685
  400   1HG   GLU  51          2HG       GLU  51  -0.775  -7.662  -3.459
  401   2HG   GLU  51          1HG       GLU  51  -2.328  -8.475  -3.263
  402    H    LEU  52           H        LEU  52  -4.502  -5.210  -0.435
  403    HA   LEU  52           HA       LEU  52  -4.502  -7.583   1.249
  404   1HB   LEU  52          2HB       LEU  52  -4.516  -6.011   2.945
  405   2HB   LEU  52          1HB       LEU  52  -3.966  -4.977   1.630
  406    HG   LEU  52           HG       LEU  52  -6.861  -5.343   2.394
  407   1HD1  LEU  52          1HD1      LEU  52  -5.496  -2.756   2.867
  408   2HD1  LEU  52          2HD1      LEU  52  -5.030  -4.073   3.946
  409   3HD1  LEU  52          3HD1      LEU  52  -6.719  -3.575   3.842
  410   1HD2  LEU  52          1HD2      LEU  52  -6.330  -2.888   1.079
  411   2HD2  LEU  52          2HD2      LEU  52  -7.294  -4.241   0.494
  412   3HD2  LEU  52          3HD2      LEU  52  -5.571  -4.167   0.133
  413    H    ARG  53           H        ARG  53  -6.860  -5.673  -0.489
  414    HA   ARG  53           HA       ARG  53  -9.130  -6.706   0.937
  415   1HB   ARG  53          2HB       ARG  53  -8.837  -4.616  -0.613
  416   2HB   ARG  53          1HB       ARG  53  -9.134  -5.756  -1.927
  417   1HG   ARG  53          2HG       ARG  53 -11.046  -6.055   0.266
  418   2HG   ARG  53          1HG       ARG  53 -11.089  -4.446  -0.454
  419   1HD   ARG  53          2HD       ARG  53 -10.882  -6.485  -2.518
  420   2HD   ARG  53          1HD       ARG  53 -12.309  -6.747  -1.496
  421    HE   ARG  53           HE       ARG  53 -13.206  -4.746  -2.367
  422   1HH1  ARG  53          1HH1      ARG  53 -10.545  -5.282  -4.183
  423   2HH1  ARG  53          2HH1      ARG  53 -10.114  -3.624  -4.438
  424   1HH2  ARG  53          1HH2      ARG  53 -12.330  -2.406  -2.065
  425   2HH2  ARG  53          2HH2      ARG  53 -11.125  -1.995  -3.239
  426    H    ARG  54           H        ARG  54  -7.216  -7.670  -1.837
  427    HA   ARG  54           HA       ARG  54  -8.927  -9.747  -2.811
  428   1HB   ARG  54          2HB       ARG  54  -7.323  -9.365  -4.374
  429   2HB   ARG  54          1HB       ARG  54  -6.220  -8.693  -3.174
  430   1HG   ARG  54          2HG       ARG  54  -5.363 -10.818  -2.598
  431   2HG   ARG  54          1HG       ARG  54  -6.721 -11.663  -3.343
  432   1HD   ARG  54          2HD       ARG  54  -5.152 -11.942  -5.029
  433   2HD   ARG  54          1HD       ARG  54  -5.787 -10.360  -5.518
  434    HE   ARG  54           HE       ARG  54  -3.777  -9.936  -3.565
  435   1HH1  ARG  54          1HH2      ARG  54  -4.275  -9.284  -6.695
  436   2HH1  ARG  54          2HH2      ARG  54  -2.663  -9.585  -7.257
  437   1HH2  ARG  54          1HH1      ARG  54  -1.635 -11.102  -4.313
  438   2HH2  ARG  54          2HH1      ARG  54  -1.170 -10.614  -5.908
  439    H    LEU  55           H        LEU  55  -5.962  -9.960  -0.828
  440    HA   LEU  55           HA       LEU  55  -6.792 -12.645   0.063
  441   1HB   LEU  55          2HB       LEU  55  -4.393 -11.443  -0.746
  442   2HB   LEU  55          1HB       LEU  55  -4.214 -11.725   0.986
  443    HG   LEU  55           HG       LEU  55  -5.446 -14.044  -0.043
  444   1HD1  LEU  55          1HD1      LEU  55  -4.662 -14.372  -2.126
  445   2HD1  LEU  55          2HD1      LEU  55  -3.008 -14.121  -1.566
  446   3HD1  LEU  55          3HD1      LEU  55  -3.976 -12.747  -2.099
  447   1HD2  LEU  55          1HD2      LEU  55  -2.959 -13.215   1.283
  448   2HD2  LEU  55          2HD2      LEU  55  -2.771 -14.667   0.301
  449   3HD2  LEU  55          3HD2      LEU  55  -3.977 -14.623   1.587
  450    H    ALA  56           H        ALA  56  -5.246  -9.818   1.590
  451    HA   ALA  56           HA       ALA  56  -5.548 -10.413   4.268
  452   1HB   ALA  56          1HB       ALA  56  -6.349  -7.668   3.563
  453   2HB   ALA  56          2HB       ALA  56  -4.893  -8.231   2.747
  454   3HB   ALA  56          3HB       ALA  56  -4.966  -8.226   4.505
  455    H    HIS  57           H        HIS  57  -7.965  -8.447   2.536
  456    HA   HIS  57           HA       HIS  57 -10.336  -8.462   2.721
  457   1HB   HIS  57          2HB       HIS  57  -9.510 -11.034   3.233
  458   2HB   HIS  57          1HB       HIS  57 -10.369 -10.628   4.719
  459    HD1  HIS  57           1HD      HIS  57 -11.804 -12.677   3.169
  460    HD2  HIS  57           2HD      HIS  57 -12.258  -8.632   2.270
  461    HE1  HIS  57           1HE      HIS  57 -13.990 -12.465   1.908
  462    H    GLY  58           H        GLY  58  -8.779  -6.754   4.351
  463   1HA   GLY  58          2HA       GLY  58 -10.575  -5.853   6.279
  464   2HA   GLY  58          1HA       GLY  58  -9.502  -6.963   7.123
  465    H    GLY  59           H        GLY  59  -7.076  -6.536   6.305
  466   1HA   GLY  59          2HA       GLY  59  -6.068  -4.099   5.514
  467   2HA   GLY  59          1HA       GLY  59  -6.482  -3.842   7.201
  468    H    GLN  60           H        GLN  60  -4.941  -6.473   5.366
  469    HA   GLN  60           HA       GLN  60  -2.540  -6.209   7.027
  470   1HB   GLN  60          2HB       GLN  60  -2.867  -8.097   8.283
  471   2HB   GLN  60          1HB       GLN  60  -4.560  -7.765   7.930
  472   1HG   GLN  60          2HG       GLN  60  -4.308 -10.041   7.379
  473   2HG   GLN  60          1HG       GLN  60  -4.192  -9.228   5.820
  474   1HE2  GLN  60          1HE2      GLN  60  -2.988 -11.586   5.657
  475   2HE2  GLN  60          2HE2      GLN  60  -1.303 -11.497   5.841
  476    H    VAL  61           H        VAL  61  -1.152  -5.975   5.269
  477    HA   VAL  61           HA       VAL  61  -0.813  -8.309   3.529
  478    HB   VAL  61           HB       VAL  61  -1.957  -5.679   2.778
  479   1HG1  VAL  61          1HG1      VAL  61   0.161  -7.114   1.190
  480   2HG1  VAL  61          2HG1      VAL  61  -0.034  -5.382   1.461
  481   3HG1  VAL  61          3HG1      VAL  61  -1.121  -6.230   0.361
  482   1HG2  VAL  61          1HG2      VAL  61  -2.838  -7.348   0.939
  483   2HG2  VAL  61          2HG2      VAL  61  -3.485  -7.405   2.579
  484   3HG2  VAL  61          3HG2      VAL  61  -2.262  -8.570   2.072
  485    H    ASN  62           H        ASN  62   1.297  -8.381   2.555
  486    HA   ASN  62           HA       ASN  62   3.323  -6.712   3.905
  487   1HB   ASN  62          2HB       ASN  62   3.108  -9.255   2.473
  488   2HB   ASN  62          1HB       ASN  62   4.534  -8.338   1.981
  489   1HD2  ASN  62          1HD2      ASN  62   3.746 -10.704   4.078
  490   2HD2  ASN  62          2HD2      ASN  62   4.773 -10.332   5.376
  491    H    LEU  63           H        LEU  63   3.733  -4.701   3.000
  492    HA   LEU  63           HA       LEU  63   3.670  -4.471   0.050
  493   1HB   LEU  63          2HB       LEU  63   3.062  -2.048   0.673
  494   2HB   LEU  63          1HB       LEU  63   1.834  -3.281   0.925
  495    HG   LEU  63           HG       LEU  63   3.627  -2.998   3.215
  496   1HD1  LEU  63          1HD1      LEU  63   3.635  -0.643   2.427
  497   2HD1  LEU  63          2HD1      LEU  63   2.774  -0.824   3.955
  498   3HD1  LEU  63          3HD1      LEU  63   1.872  -0.647   2.451
  499   1HD2  LEU  63          1HD2      LEU  63   0.956  -3.722   2.581
  500   2HD2  LEU  63          2HD2      LEU  63   0.870  -2.363   3.702
  501   3HD2  LEU  63          3HD2      LEU  63   1.755  -3.822   4.148
  502    H    ASP  64           H        ASP  64   5.178  -2.905  -0.864
  503    HA   ASP  64           HA       ASP  64   7.583  -2.468   0.813
  504   1HB   ASP  64          2HB       ASP  64   7.919  -3.930  -1.107
  505   2HB   ASP  64          1HB       ASP  64   7.161  -2.747  -2.174
  506    H    MET  65           H        MET  65   7.485  -0.361   1.578
  507    HA   MET  65           HA       MET  65   6.082   1.754   0.144
  508   1HB   MET  65          2HB       MET  65   6.781   1.219   2.725
  509   2HB   MET  65          1HB       MET  65   8.014   2.405   2.294
  510   1HG   MET  65          2HG       MET  65   6.245   3.949   1.514
  511   2HG   MET  65          1HG       MET  65   5.020   2.770   1.979
  512   1HE   MET  65          1HE       MET  65   6.064   1.848   5.310
  513   2HE   MET  65          2HE       MET  65   4.973   1.638   3.941
  514   3HE   MET  65          3HE       MET  65   4.480   2.638   5.306
  515    H    GLU  66           H        GLU  66   7.004   2.600  -1.698
  516    HA   GLU  66           HA       GLU  66   9.869   2.622  -2.147
  517   1HB   GLU  66          2HB       GLU  66   7.358   3.221  -3.559
  518   2HB   GLU  66          1HB       GLU  66   8.716   4.235  -4.048
  519   1HG   GLU  66          2HG       GLU  66   9.772   1.638  -3.844
  520   2HG   GLU  66          1HG       GLU  66   8.215   1.446  -4.652
  521    H    ASP  67           H        ASP  67  11.216   4.204  -1.380
  522    HA   ASP  67           HA       ASP  67  10.131   6.619  -0.161
  523   1HB   ASP  67          2HB       ASP  67  12.380   4.944   0.095
  524   2HB   ASP  67          1HB       ASP  67  13.011   6.508  -0.425
  525    H    HIS  68           H        HIS  68   9.493   8.175  -1.644
  526    HA   HIS  68           HA       HIS  68  11.562   9.383  -3.353
  527   1HB   HIS  68          2HB       HIS  68   9.069   8.039  -4.450
  528   2HB   HIS  68          1HB       HIS  68  10.146   9.062  -5.399
  529    HD1  HIS  68           1HD      HIS  68  12.514   8.133  -5.951
  530    HD2  HIS  68           2HD      HIS  68  10.110   5.465  -3.835
  531    HE1  HIS  68           1HE      HIS  68  13.667   5.879  -6.070
  532    H    ARG  69           H        ARG  69  10.555  10.764  -1.341
  533    HA   ARG  69           HA       ARG  69   8.023  12.060  -1.923
  534   1HB   ARG  69          2HB       ARG  69   9.943  13.286  -0.029
  535   2HB   ARG  69          1HB       ARG  69   8.242  12.899   0.200
  536   1HG   ARG  69          2HG       ARG  69  10.618  11.040   0.405
  537   2HG   ARG  69          1HG       ARG  69   9.435  11.431   1.650
  538   1HD   ARG  69          2HD       ARG  69   9.229   9.505  -0.612
  539   2HD   ARG  69          1HD       ARG  69   8.498   9.435   0.998
  540    HE   ARG  69           HE       ARG  69   7.329  10.723  -1.357
  541   1HH1  ARG  69          1HH1      ARG  69   6.810   9.591   1.751
  542   2HH1  ARG  69          2HH1      ARG  69   5.574  10.734   2.155
  543   1HH2  ARG  69          1HH2      ARG  69   6.033  12.642  -0.702
  544   2HH2  ARG  69          2HH2      ARG  69   5.133  12.462   0.766
  545    H    ASP  70           H        ASP  70  11.295  13.407  -1.564
  546    HA   ASP  70           HA       ASP  70  10.575  15.802  -3.084
  547   1HB   ASP  70          2HB       ASP  70  12.194  15.520  -1.099
  548   2HB   ASP  70          1HB       ASP  70  13.329  14.851  -2.274
  549    H    GLU  71           H        GLU  71  10.920  12.805  -4.216
  550    HA   GLU  71           HA       GLU  71  12.446  13.705  -6.643
  551   1HB   GLU  71          2HB       GLU  71  12.654  11.331  -4.865
  552   2HB   GLU  71          1HB       GLU  71  12.841  11.028  -6.593
  553   1HG   GLU  71          2HG       GLU  71  14.726  12.409  -6.767
  554   2HG   GLU  71          1HG       GLU  71  14.327  13.299  -5.297
  555    H    ASP  72           H        ASP  72   9.458  12.651  -5.478
  556    HA   ASP  72           HA       ASP  72   8.664  11.817  -8.206
  557   1HB   ASP  72          2HB       ASP  72   8.833  10.267  -5.810
  558   2HB   ASP  72          1HB       ASP  72   7.141  10.389  -6.276
  559    H    PHE  73           H        PHE  73   6.543  12.453  -8.813
  560    HA   PHE  73           HA       PHE  73   4.776  14.049  -8.812
  561   1HB   PHE  73          2HB       PHE  73   3.992  12.001  -7.588
  562   2HB   PHE  73          1HB       PHE  73   4.488  12.764  -6.082
  563    HD1  PHE  73           1HD      PHE  73   3.496  15.392  -8.118
  564    HD2  PHE  73           2HD      PHE  73   1.835  12.108  -5.901
  565    HE1  PHE  73           1HE      PHE  73   1.319  16.572  -8.000
  566    HE2  PHE  73           2HE      PHE  73  -0.343  13.291  -5.784
  567    HZ   PHE  73           HZ       PHE  73  -0.599  15.523  -6.833
  568    H    VAL  74           H        VAL  74   6.602  15.781  -8.527
  569    HA   VAL  74           HA       VAL  74   6.816  16.979  -5.849
  570    HB   VAL  74           HB       VAL  74   7.780  17.729  -8.626
  571   1HG1  VAL  74          1HG1      VAL  74   9.343  19.242  -7.208
  572   2HG1  VAL  74          2HG1      VAL  74   8.119  19.077  -5.949
  573   3HG1  VAL  74          3HG1      VAL  74   7.697  19.801  -7.500
  574   1HG2  VAL  74          1HG2      VAL  74   9.097  16.497  -6.189
  575   2HG2  VAL  74          2HG2      VAL  74   9.998  17.095  -7.582
  576   3HG2  VAL  74          3HG2      VAL  74   8.872  15.751  -7.771
  577    H    LYS  75           H        LYS  75   4.522  17.479  -5.512
  578    HA   LYS  75           HA       LYS  75   2.869  19.019  -7.190
  579   1HB   LYS  75          2HB       LYS  75   1.582  18.532  -5.399
  580   2HB   LYS  75          1HB       LYS  75   3.014  18.100  -4.467
  581   1HG   LYS  75          2HG       LYS  75   3.349  20.451  -3.850
  582   2HG   LYS  75          1HG       LYS  75   1.958  20.921  -4.826
  583   1HD   LYS  75          2HD       LYS  75   0.585  20.481  -3.101
  584   2HD   LYS  75          1HD       LYS  75   1.147  18.810  -3.072
  585   1HE   LYS  75          2HE       LYS  75   2.648  21.094  -1.747
  586   2HE   LYS  75          1HE       LYS  75   1.521  20.023  -0.890
  587   1HZ   LYS  75          1HZ       LYS  75   4.140  19.430  -2.019
  588   2HZ   LYS  75          2HZ       LYS  75   2.949  18.237  -2.226
  589   3HZ   LYS  75          3HZ       LYS  75   3.369  18.761  -0.665
  590    HA   PRO  76           HA       PRO  76   4.807  22.907  -5.207
  591   1HB   PRO  76          2HB       PRO  76   7.160  22.625  -3.848
  592   2HB   PRO  76          1HB       PRO  76   5.573  22.460  -3.074
  593   1HG   PRO  76          2HG       PRO  76   7.508  20.375  -3.876
  594   2HG   PRO  76          1HG       PRO  76   6.349  20.392  -2.541
  595   1HD   PRO  76          2HD       PRO  76   6.038  19.040  -4.955
  596   2HD   PRO  76          1HD       PRO  76   4.745  19.400  -3.791
  Start of MODEL    2
    1    H    GLU   1           1HT      GLU   1  19.939 -17.222  -3.398
    2    HA   GLU   1           HA       GLU   1  17.940 -18.483  -4.435
    3   1HB   GLU   1          2HB       GLU   1  20.052 -19.032  -2.804
    4   2HB   GLU   1          1HB       GLU   1  18.714 -19.550  -1.777
    5   1HG   GLU   1          2HG       GLU   1  17.862 -20.989  -3.570
    6   2HG   GLU   1          1HG       GLU   1  19.149 -20.440  -4.644
    7    H    ARG   2           H        ARG   2  17.758 -17.456  -1.006
    8    HA   ARG   2           HA       ARG   2  14.977 -18.384  -0.773
    9   1HB   ARG   2          2HB       ARG   2  17.143 -17.265   0.928
   10   2HB   ARG   2          1HB       ARG   2  15.494 -16.946   1.469
   11   1HG   ARG   2          2HG       ARG   2  15.974 -19.719   0.580
   12   2HG   ARG   2          1HG       ARG   2  16.875 -19.246   2.020
   13   1HD   ARG   2          2HD       ARG   2  14.499 -18.224   2.721
   14   2HD   ARG   2          1HD       ARG   2  13.922 -19.509   1.640
   15    HE   ARG   2           HE       ARG   2  15.607 -20.978   3.034
   16   1HH1  ARG   2          1HH1      ARG   2  12.852 -19.366   3.976
   17   2HH1  ARG   2          2HH1      ARG   2  13.138 -19.480   5.680
   18   1HH2  ARG   2          1HH2      ARG   2  16.372 -20.682   5.326
   19   2HH2  ARG   2          2HH2      ARG   2  15.130 -20.224   6.445
   20    H    ARG   3           H        ARG   3  13.409 -17.136  -1.735
   21    HA   ARG   3           HA       ARG   3  13.551 -14.170  -1.328
   22   1HB   ARG   3          2HB       ARG   3  12.813 -13.903  -3.645
   23   2HB   ARG   3          1HB       ARG   3  14.265 -14.904  -3.615
   24   1HG   ARG   3          2HG       ARG   3  11.829 -16.488  -3.320
   25   2HG   ARG   3          1HG       ARG   3  11.856 -15.577  -4.829
   26   1HD   ARG   3          2HD       ARG   3  14.345 -17.041  -4.006
   27   2HD   ARG   3          1HD       ARG   3  13.006 -17.959  -4.723
   28    HE   ARG   3           HE       ARG   3  13.615 -15.504  -6.180
   29   1HH1  ARG   3          1HH1      ARG   3  14.972 -18.575  -5.541
   30   2HH1  ARG   3          2HH1      ARG   3  15.344 -18.920  -7.197
   31   1HH2  ARG   3          1HH2      ARG   3  13.829 -16.046  -8.410
   32   2HH2  ARG   3          2HH2      ARG   3  14.696 -17.486  -8.822
   33    H    ARG   4           H        ARG   4  11.112 -13.561  -2.554
   34    HA   ARG   4           HA       ARG   4   9.167 -13.891  -0.608
   35   1HB   ARG   4          2HB       ARG   4   8.907 -13.799  -3.631
   36   2HB   ARG   4          1HB       ARG   4   7.570 -13.511  -2.517
   37   1HG   ARG   4          2HG       ARG   4   8.208 -11.356  -2.398
   38   2HG   ARG   4          1HG       ARG   4   9.691 -11.889  -1.604
   39   1HD   ARG   4          2HD       ARG   4  10.856 -12.059  -3.715
   40   2HD   ARG   4          1HD       ARG   4   9.353 -11.789  -4.621
   41    HE   ARG   4           HE       ARG   4   9.789  -9.645  -2.744
   42   1HH1  ARG   4          1HH2      ARG   4   9.485 -10.300  -5.967
   43   2HH1  ARG   4          2HH2      ARG   4  10.573  -9.074  -6.528
   44   1HH2  ARG   4          1HH1      ARG   4  11.782  -8.331  -3.364
   45   2HH2  ARG   4          2HH1      ARG   4  11.874  -7.959  -5.053
   46    H    HIS   5           H        HIS   5   9.764 -16.076  -3.377
   47    HA   HIS   5           HA       HIS   5   8.994 -18.280  -3.772
   48   1HB   HIS   5          2HB       HIS   5  10.243 -17.996  -1.286
   49   2HB   HIS   5          1HB       HIS   5   8.787 -18.926  -0.933
   50    HD1  HIS   5           1HD      HIS   5   8.867 -21.368  -1.486
   51    HD2  HIS   5           2HD      HIS   5  11.824 -19.227  -3.503
   52    HE1  HIS   5           1HE      HIS   5  10.292 -23.078  -2.695
   53    H    SER   6           H        SER   6   6.856 -16.629  -4.002
   54    HA   SER   6           HA       SER   6   4.491 -16.701  -3.944
   55   1HB   SER   6          2HB       SER   6   5.442 -19.292  -3.671
   56   2HB   SER   6          1HB       SER   6   4.357 -19.124  -2.293
   57    HG   SER   6           HG       SER   6   2.739 -18.451  -3.739
   58    H    GLY   7           H        GLY   7   5.261 -18.333  -0.858
   59   1HA   GLY   7          2HA       GLY   7   4.666 -17.759   1.340
   60   2HA   GLY   7          1HA       GLY   7   5.058 -16.105   0.863
   61    H    GLN   8           H        GLN   8   3.375 -14.694   0.316
   62    HA   GLN   8           HA       GLN   8   0.623 -15.719   0.901
   63   1HB   GLN   8          2HB       GLN   8   1.595 -12.853   0.840
   64   2HB   GLN   8          1HB       GLN   8   0.180 -13.499   1.671
   65   1HG   GLN   8          2HG       GLN   8   1.543 -13.527   3.493
   66   2HG   GLN   8          1HG       GLN   8   2.171 -15.011   2.775
   67   1HE2  GLN   8          1HE2      GLN   8   4.411 -14.861   3.156
   68   2HE2  GLN   8          2HE2      GLN   8   5.370 -13.538   2.695
   69    H    ASP   9           H        ASP   9  -1.131 -14.882  -0.472
   70    HA   ASP   9           HA       ASP   9  -0.252 -14.507  -3.278
   71   1HB   ASP   9          2HB       ASP   9  -2.447 -15.699  -1.820
   72   2HB   ASP   9          1HB       ASP   9  -3.052 -14.612  -3.067
   73    H    VAL  10           H        VAL  10  -0.158 -12.414  -1.194
   74    HA   VAL  10           HA       VAL  10  -1.594 -10.319  -2.690
   75    HB   VAL  10           HB       VAL  10  -2.747 -11.360  -0.576
   76   1HG1  VAL  10          1HG1      VAL  10  -1.100  -9.253   0.810
   77   2HG1  VAL  10          2HG1      VAL  10  -0.557 -10.930   0.747
   78   3HG1  VAL  10          3HG1      VAL  10  -2.088 -10.527   1.522
   79   1HG2  VAL  10          1HG2      VAL  10  -2.431  -8.401  -1.131
   80   2HG2  VAL  10          2HG2      VAL  10  -3.629  -9.046  -0.010
   81   3HG2  VAL  10          3HG2      VAL  10  -3.700  -9.474  -1.718
   82    H    HIS  11           H        HIS  11   0.383  -9.447  -3.454
   83    HA   HIS  11           HA       HIS  11   2.136  -8.236  -1.349
   84   1HB   HIS  11          2HB       HIS  11   3.648  -9.781  -2.054
   85   2HB   HIS  11          1HB       HIS  11   2.699 -10.176  -3.485
   86    HD1  HIS  11           1HD      HIS  11   4.284  -9.876  -5.401
   87    HD2  HIS  11           2HD      HIS  11   4.515  -6.716  -2.693
   88    HE1  HIS  11           1HE      HIS  11   5.856  -8.172  -6.423
   89    H    VAL  12           H        VAL  12   2.892  -6.134  -1.881
   90    HA   VAL  12           HA       VAL  12   2.438  -5.039  -4.576
   91    HB   VAL  12           HB       VAL  12   1.050  -3.288  -2.781
   92   1HG1  VAL  12          1HG1      VAL  12  -0.534  -3.326  -4.464
   93   2HG1  VAL  12          2HG1      VAL  12  -0.372  -5.062  -4.722
   94   3HG1  VAL  12          3HG1      VAL  12   0.852  -3.961  -5.350
   95   1HG2  VAL  12          1HG2      VAL  12   0.820  -5.446  -1.435
   96   2HG2  VAL  12          2HG2      VAL  12  -0.104  -6.089  -2.793
   97   3HG2  VAL  12          3HG2      VAL  12  -0.697  -4.685  -1.912
   98    H    VAL  13           H        VAL  13   3.593  -3.104  -4.909
   99    HA   VAL  13           HA       VAL  13   5.579  -2.411  -2.816
  100    HB   VAL  13           HB       VAL  13   5.166  -1.873  -5.759
  101   1HG1  VAL  13          1HG1      VAL  13   6.522  -0.167  -3.834
  102   2HG1  VAL  13          2HG1      VAL  13   6.221   0.109  -5.549
  103   3HG1  VAL  13          3HG1      VAL  13   7.649  -0.791  -5.038
  104   1HG2  VAL  13          1HG2      VAL  13   7.363  -3.151  -4.100
  105   2HG2  VAL  13          2HG2      VAL  13   7.442  -2.919  -5.846
  106   3HG2  VAL  13          3HG2      VAL  13   6.222  -3.986  -5.152
  107    H    LEU  14           H        LEU  14   5.220  -0.662  -1.493
  108    HA   LEU  14           HA       LEU  14   3.005   1.204  -2.149
  109   1HB   LEU  14          2HB       LEU  14   3.532  -0.080   0.075
  110   2HB   LEU  14          1HB       LEU  14   4.697   1.213   0.337
  111    HG   LEU  14           HG       LEU  14   1.711   1.501  -0.065
  112   1HD1  LEU  14          1HD1      LEU  14   3.619   2.073   2.216
  113   2HD1  LEU  14          2HD1      LEU  14   2.273   0.932   2.206
  114   3HD1  LEU  14          3HD1      LEU  14   1.959   2.668   2.173
  115   1HD2  LEU  14          1HD2      LEU  14   2.251   3.973   0.294
  116   2HD2  LEU  14          2HD2      LEU  14   2.708   3.312  -1.276
  117   3HD2  LEU  14          3HD2      LEU  14   3.934   3.556  -0.031
  118    H    LYS  15           H        LYS  15   3.627   2.991  -3.351
  119    HA   LYS  15           HA       LYS  15   6.249   4.230  -2.769
  120   1HB   LYS  15          2HB       LYS  15   6.262   3.686  -5.033
  121   2HB   LYS  15          1HB       LYS  15   4.512   3.869  -5.175
  122   1HG   LYS  15          2HG       LYS  15   4.639   6.094  -5.580
  123   2HG   LYS  15          1HG       LYS  15   5.976   6.329  -4.457
  124   1HD   LYS  15          2HD       LYS  15   7.475   5.182  -6.142
  125   2HD   LYS  15          1HD       LYS  15   6.128   5.246  -7.280
  126   1HE   LYS  15          2HE       LYS  15   7.839   7.194  -7.374
  127   2HE   LYS  15          1HE       LYS  15   6.124   7.639  -7.290
  128   1HZ   LYS  15          1HZ       LYS  15   6.257   8.129  -5.058
  129   2HZ   LYS  15          2HZ       LYS  15   7.773   8.673  -5.602
  130   3HZ   LYS  15          3HZ       LYS  15   7.637   7.175  -4.809
  131    H    LEU  16           H        LEU  16   6.244   6.620  -2.630
  132    HA   LEU  16           HA       LEU  16   3.516   7.773  -2.146
  133   1HB   LEU  16          2HB       LEU  16   5.733   7.296  -0.336
  134   2HB   LEU  16          1HB       LEU  16   5.341   9.015  -0.394
  135    HG   LEU  16           HG       LEU  16   2.865   8.198  -0.182
  136   1HD1  LEU  16          1HD1      LEU  16   3.892   5.747  -0.404
  137   2HD1  LEU  16          2HD1      LEU  16   2.478   6.058   0.603
  138   3HD1  LEU  16          3HD1      LEU  16   4.074   5.926   1.340
  139   1HD2  LEU  16          1HD2      LEU  16   4.985   8.353   1.940
  140   2HD2  LEU  16          2HD2      LEU  16   3.344   7.906   2.402
  141   3HD2  LEU  16          3HD2      LEU  16   3.648   9.457   1.619
  142    H    TRP  17           H        TRP  17   3.235   9.509  -3.484
  143    HA   TRP  17           HA       TRP  17   5.591  10.879  -4.636
  144   1HB   TRP  17          2HB       TRP  17   2.651  11.349  -5.188
  145   2HB   TRP  17          1HB       TRP  17   4.016  11.641  -6.254
  146    HD1  TRP  17           HD       TRP  17   2.085   8.748  -4.664
  147    HE1  TRP  17           1HE      TRP  17   2.391   6.668  -6.101
  148    HE3  TRP  17           3HE      TRP  17   5.363  10.474  -8.119
  149    HZ2  TRP  17           2HZ      TRP  17   3.772   5.807  -8.414
  150    HZ3  TRP  17           3HZ      TRP  17   6.162   9.018  -9.957
  151    HH2  TRP  17           HH       TRP  17   5.360   6.669 -10.104
  152    H    LYS  18           H        LYS  18   4.896  13.419  -4.959
  153    HA   LYS  18           HA       LYS  18   5.463  14.880  -2.741
  154   1HB   LYS  18          2HB       LYS  18   4.381  15.314  -5.279
  155   2HB   LYS  18          1HB       LYS  18   3.254  16.113  -4.182
  156   1HG   LYS  18          2HG       LYS  18   5.344  17.129  -3.064
  157   2HG   LYS  18          1HG       LYS  18   6.214  16.608  -4.508
  158   1HD   LYS  18          2HD       LYS  18   3.662  18.089  -4.929
  159   2HD   LYS  18          1HD       LYS  18   5.043  19.021  -4.344
  160   1HE   LYS  18          2HE       LYS  18   6.017  17.314  -6.408
  161   2HE   LYS  18          1HE       LYS  18   4.547  18.100  -7.018
  162   1HZ   LYS  18          1HZ       LYS  18   6.650  19.441  -7.230
  163   2HZ   LYS  18          2HZ       LYS  18   6.655  19.567  -5.536
  164   3HZ   LYS  18          3HZ       LYS  18   5.369  20.217  -6.435
  165    H    THR  19           H        THR  19   2.353  13.302  -3.259
  166    HA   THR  19           HA       THR  19   1.628  13.651  -0.469
  167    HB   THR  19           HB       THR  19   1.229  15.930  -1.274
  168    HG1  THR  19           1HG      THR  19  -1.234  15.767  -1.123
  169   1HG2  THR  19          1HG2      THR  19  -0.938  15.261  -3.124
  170   2HG2  THR  19          2HG2      THR  19   0.632  14.680  -3.675
  171   3HG2  THR  19          3HG2      THR  19   0.400  16.393  -3.324
  172    H    GLY  20           H        GLY  20   1.776  11.631  -2.677
  173   1HA   GLY  20          2HA       GLY  20  -0.837  10.407  -2.178
  174   2HA   GLY  20          1HA       GLY  20  -0.459  10.697  -3.866
  175    H    PHE  21           H        PHE  21  -0.820   8.118  -2.601
  176    HA   PHE  21           HA       PHE  21   1.960   7.027  -2.922
  177   1HB   PHE  21          2HB       PHE  21   1.059   5.162  -1.445
  178   2HB   PHE  21          1HB       PHE  21   1.189   6.735  -0.661
  179    HD1  PHE  21           1HD      PHE  21  -0.775   7.953   0.033
  180    HD2  PHE  21           2HD      PHE  21  -1.161   4.312  -2.189
  181    HE1  PHE  21           1HE      PHE  21  -3.183   7.891   0.553
  182    HE2  PHE  21           2HE      PHE  21  -3.568   4.248  -1.669
  183    HZ   PHE  21           HZ       PHE  21  -4.559   6.038  -0.303
  184    H    SER  22           H        SER  22   2.219   5.580  -4.593
  185    HA   SER  22           HA       SER  22  -0.245   4.698  -6.050
  186   1HB   SER  22          2HB       SER  22   2.659   5.048  -6.822
  187   2HB   SER  22          1HB       SER  22   1.481   4.302  -7.892
  188    HG   SER  22           HG       SER  22   0.871   6.239  -8.388
  189    H    LEU  23           H        LEU  23   0.233   2.520  -7.265
  190    HA   LEU  23           HA       LEU  23   1.947   0.573  -5.974
  191   1HB   LEU  23          2HB       LEU  23  -0.396   1.274  -4.637
  192   2HB   LEU  23          1HB       LEU  23  -0.785  -0.239  -5.449
  193    HG   LEU  23           HG       LEU  23   1.542   0.263  -3.586
  194   1HD1  LEU  23          1HD1      LEU  23  -0.528  -1.887  -3.292
  195   2HD1  LEU  23          2HD1      LEU  23  -0.932  -0.237  -2.815
  196   3HD1  LEU  23          3HD1      LEU  23   0.419  -1.070  -2.047
  197   1HD2  LEU  23          1HD2      LEU  23   2.343  -1.176  -5.332
  198   2HD2  LEU  23          2HD2      LEU  23   0.838  -2.094  -5.351
  199   3HD2  LEU  23          3HD2      LEU  23   1.933  -2.224  -3.975
  200    H    ASP  24           H        ASP  24   2.343  -0.886  -7.589
  201    HA   ASP  24           HA       ASP  24   2.004  -2.212  -9.517
  202   1HB   ASP  24          2HB       ASP  24  -0.586  -2.029  -8.061
  203   2HB   ASP  24          1HB       ASP  24  -0.662  -2.641  -9.713
  204    H    ASN  25           H        ASN  25   0.729  -2.158 -11.695
  205    HA   ASN  25           HA       ASN  25   1.049   0.302 -13.007
  206   1HB   ASN  25          2HB       ASN  25  -0.644  -0.792 -14.626
  207   2HB   ASN  25          1HB       ASN  25   0.820  -1.703 -14.261
  208   1HD2  ASN  25          1HD2      ASN  25  -2.579  -1.348 -13.109
  209   2HD2  ASN  25          2HD2      ASN  25  -2.746  -2.973 -12.645
  210    H    GLY  26           H        GLY  26  -1.566  -0.769 -10.962
  211   1HA   GLY  26          2HA       GLY  26  -3.786   0.647 -11.750
  212   2HA   GLY  26          1HA       GLY  26  -3.325   0.527 -10.052
  213    H    ASP  27           H        ASP  27  -4.600   2.812 -11.094
  214    HA   ASP  27           HA       ASP  27  -2.791   4.905 -11.832
  215   1HB   ASP  27          2HB       ASP  27  -5.416   5.176 -10.355
  216   2HB   ASP  27          1HB       ASP  27  -4.720   6.287 -11.536
  217    H    LEU  28           H        LEU  28  -2.456   6.878 -10.362
  218    HA   LEU  28           HA       LEU  28  -1.122   6.096  -7.933
  219   1HB   LEU  28          2HB       LEU  28  -0.234   7.939  -9.028
  220   2HB   LEU  28          1HB       LEU  28  -1.821   8.603  -9.364
  221    HG   LEU  28           HG       LEU  28  -2.030   8.898  -6.799
  222   1HD1  LEU  28          1HD1      LEU  28   0.979   8.653  -7.098
  223   2HD1  LEU  28          2HD1      LEU  28  -0.054   7.491  -6.267
  224   3HD1  LEU  28          3HD1      LEU  28   0.120   9.127  -5.632
  225   1HD2  LEU  28          1HD2      LEU  28  -1.507  11.086  -7.155
  226   2HD2  LEU  28          2HD2      LEU  28  -1.231  10.572  -8.820
  227   3HD2  LEU  28          3HD2      LEU  28   0.126  10.703  -7.701
  228    H    ARG  29           H        ARG  29  -1.711   6.843  -5.743
  229    HA   ARG  29           HA       ARG  29  -4.683   6.994  -5.386
  230   1HB   ARG  29          2HB       ARG  29  -2.831   5.215  -4.429
  231   2HB   ARG  29          1HB       ARG  29  -2.925   6.371  -3.099
  232   1HG   ARG  29          2HG       ARG  29  -4.904   5.512  -2.458
  233   2HG   ARG  29          1HG       ARG  29  -5.580   5.844  -4.052
  234   1HD   ARG  29          2HD       ARG  29  -4.052   3.353  -3.217
  235   2HD   ARG  29          1HD       ARG  29  -5.761   3.453  -3.685
  236    HE   ARG  29           HE       ARG  29  -4.571   4.528  -5.873
  237   1HH1  ARG  29          1HH2      ARG  29  -2.065   3.064  -4.862
  238   2HH1  ARG  29          2HH2      ARG  29  -2.151   1.603  -5.785
  239   1HH2  ARG  29          1HH1      ARG  29  -5.464   2.065  -6.701
  240   2HH2  ARG  29          2HH1      ARG  29  -4.076   1.035  -6.827
  241    H    SER  30           H        SER  30  -5.535   8.690  -4.171
  242    HA   SER  30           HA       SER  30  -3.719  10.957  -3.591
  243   1HB   SER  30          2HB       SER  30  -6.210  10.706  -4.690
  244   2HB   SER  30          1HB       SER  30  -6.622  11.112  -3.027
  245    HG   SER  30           HG       SER  30  -6.257  13.067  -3.773
  246    H    TYR  31           H        TYR  31  -3.016  11.359  -1.531
  247    HA   TYR  31           HA       TYR  31  -3.356   9.750   0.708
  248   1HB   TYR  31          2HB       TYR  31  -2.464  12.433   0.059
  249   2HB   TYR  31          1HB       TYR  31  -3.220  12.399   1.652
  250    HD1  TYR  31           1HD      TYR  31  -0.515  10.984  -0.439
  251    HD2  TYR  31           2HD      TYR  31  -2.240  11.175   3.490
  252    HE1  TYR  31           1HE      TYR  31   1.511   9.910   0.502
  253    HE2  TYR  31           2HE      TYR  31  -0.213  10.102   4.432
  254    HH   TYR  31           HH       TYR  31   2.520  10.034   3.309
  255    H    GLN  32           H        GLN  32  -5.696  11.944  -0.659
  256    HA   GLN  32           HA       GLN  32  -7.415  11.624   1.736
  257   1HB   GLN  32          2HB       GLN  32  -6.559  13.868   0.299
  258   2HB   GLN  32          1HB       GLN  32  -8.239  13.637  -0.185
  259   1HG   GLN  32          2HG       GLN  32  -7.616  13.387   2.720
  260   2HG   GLN  32          1HG       GLN  32  -7.580  15.007   2.023
  261   1HE2  GLN  32          1HE2      GLN  32  -9.633  15.270   0.373
  262   2HE2  GLN  32          2HE2      GLN  32 -11.115  14.809   1.060
  263    H    ASP  33           H        ASP  33  -6.984  10.336  -1.282
  264    HA   ASP  33           HA       ASP  33  -9.609  10.369  -2.438
  265   1HB   ASP  33          2HB       ASP  33  -7.036   9.320  -2.935
  266   2HB   ASP  33          1HB       ASP  33  -8.121   7.931  -2.923
  267    HA   PRO  34           HA       PRO  34 -11.665   7.116  -0.262
  268   1HB   PRO  34          2HB       PRO  34 -12.521   5.361  -2.171
  269   2HB   PRO  34          1HB       PRO  34 -13.183   6.999  -2.004
  270   1HG   PRO  34          2HG       PRO  34 -11.331   5.916  -4.021
  271   2HG   PRO  34          1HG       PRO  34 -12.476   7.257  -4.140
  272   1HD   PRO  34          2HD       PRO  34  -9.688   7.444  -3.776
  273   2HD   PRO  34          1HD       PRO  34 -10.870   8.764  -3.650
  274    H    SER  35           H        SER  35 -10.051   5.186  -2.825
  275    HA   SER  35           HA       SER  35  -9.628   2.811  -1.472
  276   1HB   SER  35          2HB       SER  35  -8.949   3.707  -3.847
  277   2HB   SER  35          1HB       SER  35  -7.412   4.076  -3.071
  278    HG   SER  35           HG       SER  35  -8.726   1.562  -3.237
  279    H    ASN  36           H        ASN  36  -8.033   5.877  -0.890
  280    HA   ASN  36           HA       ASN  36  -5.760   4.930   0.550
  281   1HB   ASN  36          2HB       ASN  36  -5.516   7.215   1.143
  282   2HB   ASN  36          1HB       ASN  36  -6.344   7.250  -0.412
  283   1HD2  ASN  36          1HD2      ASN  36  -6.838   9.513   0.817
  284   2HD2  ASN  36          2HD2      ASN  36  -8.319   9.542   1.643
  285    H    ALA  37           H        ALA  37  -9.046   4.701   1.315
  286    HA   ALA  37           HA       ALA  37  -9.130   5.183   4.105
  287   1HB   ALA  37          1HB       ALA  37 -11.189   4.051   3.952
  288   2HB   ALA  37          2HB       ALA  37 -10.580   2.921   2.744
  289   3HB   ALA  37          3HB       ALA  37 -10.934   4.589   2.290
  290    H    GLN  38           H        GLN  38  -8.662   2.076   2.393
  291    HA   GLN  38           HA       GLN  38  -7.688   0.771   4.844
  292   1HB   GLN  38          2HB       GLN  38  -9.086  -0.217   2.901
  293   2HB   GLN  38          1HB       GLN  38  -7.568  -0.273   2.008
  294   1HG   GLN  38          2HG       GLN  38  -7.672  -2.406   3.010
  295   2HG   GLN  38          1HG       GLN  38  -6.636  -1.499   4.112
  296   1HE2  GLN  38          1HE2      GLN  38  -8.546  -3.814   4.659
  297   2HE2  GLN  38          2HE2      GLN  38  -9.569  -3.242   5.887
  298    H    PHE  39           H        PHE  39  -6.357   2.159   1.890
  299    HA   PHE  39           HA       PHE  39  -3.685   1.129   2.150
  300   1HB   PHE  39          2HB       PHE  39  -4.867   2.207   0.154
  301   2HB   PHE  39          1HB       PHE  39  -4.554   3.754   0.932
  302    HD1  PHE  39           1HD      PHE  39  -3.322   1.549  -1.458
  303    HD2  PHE  39           2HD      PHE  39  -1.989   3.932   1.865
  304    HE1  PHE  39           1HE      PHE  39  -1.024   1.568  -2.388
  305    HE2  PHE  39           2HE      PHE  39   0.306   3.948   0.928
  306    HZ   PHE  39           HZ       PHE  39   0.789   2.766  -1.196
  307    H    LEU  40           H        LEU  40  -4.981   4.369   2.922
  308    HA   LEU  40           HA       LEU  40  -2.637   5.286   4.235
  309   1HB   LEU  40          2HB       LEU  40  -4.962   6.277   3.267
  310   2HB   LEU  40          1HB       LEU  40  -5.251   6.351   4.994
  311    HG   LEU  40           HG       LEU  40  -3.677   7.987   5.328
  312   1HD1  LEU  40          1HD1      LEU  40  -2.159   6.652   3.078
  313   2HD1  LEU  40          2HD1      LEU  40  -1.695   6.786   4.774
  314   3HD1  LEU  40          3HD1      LEU  40  -1.665   8.212   3.737
  315   1HD2  LEU  40          1HD2      LEU  40  -4.800   8.108   2.605
  316   2HD2  LEU  40          2HD2      LEU  40  -3.388   9.137   2.861
  317   3HD2  LEU  40          3HD2      LEU  40  -4.815   9.325   3.883
  318    H    GLU  41           H        GLU  41  -5.666   3.947   5.567
  319    HA   GLU  41           HA       GLU  41  -4.772   4.235   8.296
  320   1HB   GLU  41          2HB       GLU  41  -6.921   3.544   8.804
  321   2HB   GLU  41          1HB       GLU  41  -7.151   4.092   7.145
  322   1HG   GLU  41          2HG       GLU  41  -6.928   1.807   6.317
  323   2HG   GLU  41          1HG       GLU  41  -6.567   1.225   7.943
  324    H    SER  42           H        SER  42  -5.234   1.344   6.242
  325    HA   SER  42           HA       SER  42  -4.233  -0.520   8.145
  326   1HB   SER  42          2HB       SER  42  -3.990  -0.751   5.150
  327   2HB   SER  42          1HB       SER  42  -4.299  -2.030   6.318
  328    HG   SER  42           HG       SER  42  -6.347  -1.491   6.376
  329    H    ILE  43           H        ILE  43  -2.611   0.890   5.304
  330    HA   ILE  43           HA       ILE  43  -0.034  -0.102   5.733
  331    HB   ILE  43           HB       ILE  43  -1.006   2.522   4.687
  332   1HG1  ILE  43          2HG1      ILE  43  -0.717  -0.232   3.566
  333   2HG1  ILE  43          1HG1      ILE  43  -2.000   0.941   3.299
  334   1HG2  ILE  43          1HG2      ILE  43   1.080   2.898   3.741
  335   2HG2  ILE  43          2HG2      ILE  43   1.545   1.202   3.876
  336   3HG2  ILE  43          3HG2      ILE  43   1.495   2.221   5.314
  337   1HD1  ILE  43          1HD1      ILE  43   0.164   2.249   2.249
  338   2HD1  ILE  43          2HD1      ILE  43  -0.974   1.287   1.306
  339   3HD1  ILE  43          3HD1      ILE  43   0.537   0.571   1.860
  340    H    ARG  44           H        ARG  44  -1.594   2.778   7.072
  341    HA   ARG  44           HA       ARG  44   0.658   3.787   8.510
  342   1HB   ARG  44          2HB       ARG  44  -2.326   4.047   8.569
  343   2HB   ARG  44          1HB       ARG  44  -1.412   4.696   9.930
  344   1HG   ARG  44          2HG       ARG  44  -0.061   6.061   8.413
  345   2HG   ARG  44          1HG       ARG  44  -0.895   5.374   7.020
  346   1HD   ARG  44          2HD       ARG  44  -2.144   7.318   7.299
  347   2HD   ARG  44          1HD       ARG  44  -3.050   6.239   8.379
  348    HE   ARG  44           HE       ARG  44  -0.748   7.711   9.539
  349   1HH1  ARG  44          1HH1      ARG  44  -2.990   6.267  11.048
  350   2HH1  ARG  44          2HH1      ARG  44  -3.918   7.613  11.620
  351   1HH2  ARG  44          1HH2      ARG  44  -2.437   9.890   9.463
  352   2HH2  ARG  44          2HH2      ARG  44  -3.604   9.664  10.723
  353    H    ARG  45           H        ARG  45  -1.489   1.107   9.059
  354    HA   ARG  45           HA       ARG  45  -0.802   0.892  11.906
  355   1HB   ARG  45          2HB       ARG  45  -2.867   0.032  10.105
  356   2HB   ARG  45          1HB       ARG  45  -2.178  -1.386  10.896
  357   1HG   ARG  45          2HG       ARG  45  -2.621   0.890  12.709
  358   2HG   ARG  45          1HG       ARG  45  -4.100   0.238  12.005
  359   1HD   ARG  45          2HD       ARG  45  -2.050  -1.662  13.125
  360   2HD   ARG  45          1HD       ARG  45  -3.178  -0.837  14.219
  361    HE   ARG  45           HE       ARG  45  -4.926  -1.695  12.386
  362   1HH1  ARG  45          1HH1      ARG  45  -2.273  -3.443  11.840
  363   2HH1  ARG  45          2HH1      ARG  45  -2.853  -4.959  12.444
  364   1HH2  ARG  45          1HH2      ARG  45  -5.644  -3.583  13.973
  365   2HH2  ARG  45          2HH2      ARG  45  -4.762  -5.038  13.651
  366    H    GLY  46           H        GLY  46   0.311  -0.179   8.852
  367   1HA   GLY  46          2HA       GLY  46   2.645  -1.421   9.794
  368   2HA   GLY  46          1HA       GLY  46   1.445  -2.695   9.578
  369    H    GLU  47           H        GLU  47   0.751  -3.216   7.474
  370    HA   GLU  47           HA       GLU  47   1.856  -1.695   5.180
  371   1HB   GLU  47          2HB       GLU  47   2.506  -4.609   5.728
  372   2HB   GLU  47          1HB       GLU  47   3.053  -3.668   4.339
  373   1HG   GLU  47          2HG       GLU  47   4.145  -2.072   5.976
  374   2HG   GLU  47          1HG       GLU  47   3.775  -3.237   7.248
  375    H    VAL  48           H        VAL  48  -0.436  -1.421   4.637
  376    HA   VAL  48           HA       VAL  48  -1.528  -3.735   3.207
  377    HB   VAL  48           HB       VAL  48  -3.659  -2.584   4.743
  378   1HG1  VAL  48          1HG1      VAL  48  -2.717  -5.095   3.861
  379   2HG1  VAL  48          2HG1      VAL  48  -4.249  -4.751   4.665
  380   3HG1  VAL  48          3HG1      VAL  48  -2.837  -5.208   5.617
  381   1HG2  VAL  48          1HG2      VAL  48  -2.929  -3.043   7.004
  382   2HG2  VAL  48          2HG2      VAL  48  -1.736  -1.964   6.279
  383   3HG2  VAL  48          3HG2      VAL  48  -1.390  -3.686   6.428
  384    HA   PRO  49           HA       PRO  49  -2.482   0.034   0.920
  385   1HB   PRO  49          2HB       PRO  49  -1.934  -1.030  -1.529
  386   2HB   PRO  49          1HB       PRO  49  -0.669  -0.429  -0.442
  387   1HG   PRO  49          2HG       PRO  49  -1.377  -3.186  -1.147
  388   2HG   PRO  49          1HG       PRO  49   0.143  -2.537  -0.527
  389   1HD   PRO  49          2HD       PRO  49  -1.883  -3.929   0.918
  390   2HD   PRO  49          1HD       PRO  49  -0.388  -3.218   1.557
  391    H    ALA  50           H        ALA  50  -3.599  -0.365  -1.680
  392    HA   ALA  50           HA       ALA  50  -6.337  -1.142  -1.009
  393   1HB   ALA  50          1HB       ALA  50  -5.435  -0.715  -3.819
  394   2HB   ALA  50          2HB       ALA  50  -5.187   0.628  -2.704
  395   3HB   ALA  50          3HB       ALA  50  -6.809  -0.012  -2.967
  396    H    GLU  51           H        GLU  51  -3.847  -2.356  -3.300
  397    HA   GLU  51           HA       GLU  51  -5.130  -4.572  -4.384
  398   1HB   GLU  51          2HB       GLU  51  -2.648  -3.617  -4.468
  399   2HB   GLU  51          1HB       GLU  51  -2.359  -4.858  -3.249
  400   1HG   GLU  51          2HG       GLU  51  -3.942  -5.880  -5.473
  401   2HG   GLU  51          1HG       GLU  51  -2.385  -5.247  -6.012
  402    H    LEU  52           H        LEU  52  -4.062  -4.009  -1.111
  403    HA   LEU  52           HA       LEU  52  -4.123  -6.651  -0.070
  404   1HB   LEU  52          2HB       LEU  52  -3.442  -5.392   1.684
  405   2HB   LEU  52          1HB       LEU  52  -3.855  -3.946   0.775
  406    HG   LEU  52           HG       LEU  52  -6.297  -4.445   1.562
  407   1HD1  LEU  52          1HD1      LEU  52  -5.995  -5.477   3.979
  408   2HD1  LEU  52          2HD1      LEU  52  -4.601  -6.258   3.234
  409   3HD1  LEU  52          3HD1      LEU  52  -6.220  -6.528   2.583
  410   1HD2  LEU  52          1HD2      LEU  52  -5.561  -2.505   2.510
  411   2HD2  LEU  52          2HD2      LEU  52  -4.009  -3.206   2.960
  412   3HD2  LEU  52          3HD2      LEU  52  -5.429  -3.504   3.957
  413    H    ARG  53           H        ARG  53  -6.656  -4.158  -0.241
  414    HA   ARG  53           HA       ARG  53  -8.776  -5.678   0.878
  415   1HB   ARG  53          2HB       ARG  53  -8.434  -3.150   0.005
  416   2HB   ARG  53          1HB       ARG  53  -9.290  -3.807  -1.391
  417   1HG   ARG  53          2HG       ARG  53 -10.976  -4.753   0.319
  418   2HG   ARG  53          1HG       ARG  53 -10.229  -3.646   1.473
  419   1HD   ARG  53          2HD       ARG  53 -11.368  -1.893   0.604
  420   2HD   ARG  53          1HD       ARG  53 -10.800  -2.280  -1.031
  421    HE   ARG  53           HE       ARG  53 -13.315  -3.223   0.184
  422   1HH1  ARG  53          1HH2      ARG  53 -11.965  -2.377  -2.682
  423   2HH1  ARG  53          2HH2      ARG  53 -12.528  -3.737  -3.595
  424   1HH2  ARG  53          1HH1      ARG  53 -13.603  -5.497  -0.807
  425   2HH2  ARG  53          2HH1      ARG  53 -13.455  -5.503  -2.533
  426    H    ARG  54           H        ARG  54  -7.200  -5.748  -2.223
  427    HA   ARG  54           HA       ARG  54  -9.224  -7.072  -3.751
  428   1HB   ARG  54          2HB       ARG  54  -6.637  -6.062  -4.072
  429   2HB   ARG  54          1HB       ARG  54  -6.480  -7.785  -4.413
  430   1HG   ARG  54          2HG       ARG  54  -8.860  -6.518  -5.611
  431   2HG   ARG  54          1HG       ARG  54  -7.323  -5.924  -6.238
  432   1HD   ARG  54          2HD       ARG  54  -6.638  -8.378  -6.523
  433   2HD   ARG  54          1HD       ARG  54  -8.343  -8.777  -6.233
  434    HE   ARG  54           HE       ARG  54  -7.388  -7.821  -8.698
  435   1HH1  ARG  54          1HH1      ARG  54 -10.264  -8.327  -7.287
  436   2HH1  ARG  54          2HH1      ARG  54 -11.101  -6.974  -7.972
  437   1HH2  ARG  54          1HH2      ARG  54  -8.219  -5.466  -9.174
  438   2HH2  ARG  54          2HH2      ARG  54  -9.943  -5.353  -9.040
  439    H    LEU  55           H        LEU  55  -6.271  -8.443  -2.291
  440    HA   LEU  55           HA       LEU  55  -7.558 -11.097  -2.299
  441   1HB   LEU  55          2HB       LEU  55  -4.997 -10.075  -2.892
  442   2HB   LEU  55          1HB       LEU  55  -4.813 -11.066  -1.443
  443    HG   LEU  55           HG       LEU  55  -6.561 -12.360  -3.363
  444   1HD1  LEU  55          1HD1      LEU  55  -5.480 -11.961  -5.296
  445   2HD1  LEU  55          2HD1      LEU  55  -4.038 -12.701  -4.601
  446   3HD1  LEU  55          3HD1      LEU  55  -4.291 -10.962  -4.460
  447   1HD2  LEU  55          1HD2      LEU  55  -3.878 -13.056  -2.128
  448   2HD2  LEU  55          2HD2      LEU  55  -4.886 -14.186  -3.030
  449   3HD2  LEU  55          3HD2      LEU  55  -5.465 -13.512  -1.506
  450    H    ALA  56           H        ALA  56  -5.431  -9.271  -0.096
  451    HA   ALA  56           HA       ALA  56  -5.718 -10.748   2.232
  452   1HB   ALA  56          1HB       ALA  56  -4.296  -8.976   2.520
  453   2HB   ALA  56          2HB       ALA  56  -5.733  -8.210   3.198
  454   3HB   ALA  56          3HB       ALA  56  -5.274  -7.905   1.523
  455    H    HIS  57           H        HIS  57  -7.741  -7.890   1.552
  456    HA   HIS  57           HA       HIS  57 -10.000  -7.450   2.126
  457   1HB   HIS  57          2HB       HIS  57  -9.849  -9.944   1.079
  458   2HB   HIS  57          1HB       HIS  57 -10.466 -10.327   2.685
  459    HD1  HIS  57           1HD      HIS  57 -12.927 -10.672   2.324
  460    HD2  HIS  57           2HD      HIS  57 -11.544  -7.230   0.421
  461    HE1  HIS  57           1HE      HIS  57 -14.970  -9.495   1.398
  462    H    GLY  58           H        GLY  58  -8.795  -6.640   4.189
  463   1HA   GLY  58          2HA       GLY  58 -10.211  -7.040   6.498
  464   2HA   GLY  58          1HA       GLY  58  -8.995  -8.314   6.548
  465    H    GLY  59           H        GLY  59  -7.152  -6.487   4.981
  466   1HA   GLY  59          2HA       GLY  59  -5.956  -4.409   5.457
  467   2HA   GLY  59          1HA       GLY  59  -6.501  -4.556   7.116
  468    H    GLN  60           H        GLN  60  -4.958  -6.926   4.985
  469    HA   GLN  60           HA       GLN  60  -2.544  -6.918   6.660
  470   1HB   GLN  60          2HB       GLN  60  -4.630  -9.065   6.527
  471   2HB   GLN  60          1HB       GLN  60  -2.945  -9.530   6.770
  472   1HG   GLN  60          2HG       GLN  60  -3.009  -7.632   8.606
  473   2HG   GLN  60          1HG       GLN  60  -4.746  -7.933   8.559
  474   1HE2  GLN  60          1HE2      GLN  60  -4.110 -10.858   7.777
  475   2HE2  GLN  60          2HE2      GLN  60  -3.698 -11.588   9.252
  476    H    VAL  61           H        VAL  61  -1.124  -6.577   4.929
  477    HA   VAL  61           HA       VAL  61  -0.958  -8.717   2.924
  478    HB   VAL  61           HB       VAL  61  -1.770  -5.884   2.473
  479   1HG1  VAL  61          1HG1      VAL  61  -1.031  -6.402  -0.014
  480   2HG1  VAL  61          2HG1      VAL  61   0.159  -7.437   0.776
  481   3HG1  VAL  61          3HG1      VAL  61   0.122  -5.709   1.126
  482   1HG2  VAL  61          1HG2      VAL  61  -2.621  -8.613   1.781
  483   2HG2  VAL  61          2HG2      VAL  61  -2.715  -7.476   0.438
  484   3HG2  VAL  61          3HG2      VAL  61  -3.581  -7.142   1.937
  485    H    ASN  62           H        ASN  62   1.136  -8.863   1.948
  486    HA   ASN  62           HA       ASN  62   3.307  -7.661   3.520
  487   1HB   ASN  62          2HB       ASN  62   2.829  -9.863   1.674
  488   2HB   ASN  62          1HB       ASN  62   4.322  -9.013   1.277
  489   1HD2  ASN  62          1HD2      ASN  62   5.974 -10.241   2.220
  490   2HD2  ASN  62          2HD2      ASN  62   5.978 -10.775   3.831
  491    H    LEU  63           H        LEU  63   3.175  -5.398   2.976
  492    HA   LEU  63           HA       LEU  63   3.848  -4.762   0.159
  493   1HB   LEU  63          2HB       LEU  63   1.782  -3.786   0.378
  494   2HB   LEU  63          1HB       LEU  63   1.918  -3.679   2.133
  495    HG   LEU  63           HG       LEU  63   3.659  -1.959   0.385
  496   1HD1  LEU  63          1HD1      LEU  63   1.567  -1.348  -0.502
  497   2HD1  LEU  63          2HD1      LEU  63   1.786  -0.202   0.819
  498   3HD1  LEU  63          3HD1      LEU  63   0.738  -1.602   1.034
  499   1HD2  LEU  63          1HD2      LEU  63   3.576  -2.358   3.070
  500   2HD2  LEU  63          2HD2      LEU  63   2.421  -1.035   2.922
  501   3HD2  LEU  63          3HD2      LEU  63   4.072  -0.832   2.337
  502    H    ASP  64           H        ASP  64   5.292  -2.890  -0.111
  503    HA   ASP  64           HA       ASP  64   6.871  -2.227   2.309
  504   1HB   ASP  64          2HB       ASP  64   8.874  -2.361   0.808
  505   2HB   ASP  64          1HB       ASP  64   8.035  -3.904   0.972
  506    H    MET  65           H        MET  65   8.016  -0.125   2.123
  507    HA   MET  65           HA       MET  65   6.391   1.852   0.652
  508   1HB   MET  65          2HB       MET  65   8.194   1.703   2.955
  509   2HB   MET  65          1HB       MET  65   8.480   3.137   1.969
  510   1HG   MET  65          2HG       MET  65   6.609   4.103   2.757
  511   2HG   MET  65          1HG       MET  65   5.644   2.717   2.247
  512   1HE   MET  65          1HE       MET  65   4.205   2.805   5.633
  513   2HE   MET  65          2HE       MET  65   4.078   1.724   4.248
  514   3HE   MET  65          3HE       MET  65   4.182   3.464   3.993
  515    H    GLU  66           H        GLU  66   7.566   3.589  -0.600
  516    HA   GLU  66           HA       GLU  66  10.150   2.782  -1.749
  517   1HB   GLU  66          2HB       GLU  66   7.537   3.085  -3.234
  518   2HB   GLU  66          1HB       GLU  66   9.099   3.117  -4.053
  519   1HG   GLU  66          2HG       GLU  66   7.911   0.846  -2.442
  520   2HG   GLU  66          1HG       GLU  66   8.309   0.853  -4.160
  521    H    ASP  67           H        ASP  67  11.350   4.623  -1.561
  522    HA   ASP  67           HA       ASP  67  10.070   7.252  -1.525
  523   1HB   ASP  67          2HB       ASP  67  12.661   5.999  -0.813
  524   2HB   ASP  67          1HB       ASP  67  12.738   7.693  -1.303
  525    H    HIS  68           H        HIS  68   9.774   8.345  -3.427
  526    HA   HIS  68           HA       HIS  68  11.932   8.422  -5.433
  527   1HB   HIS  68          2HB       HIS  68   9.160   7.359  -6.061
  528   2HB   HIS  68          1HB       HIS  68  10.480   7.550  -7.215
  529    HD1  HIS  68           1HD      HIS  68  12.575   5.965  -6.894
  530    HD2  HIS  68           2HD      HIS  68   9.310   5.045  -4.472
  531    HE1  HIS  68           1HE      HIS  68  12.998   3.643  -5.974
  532    H    ARG  69           H        ARG  69  11.327  10.594  -4.103
  533    HA   ARG  69           HA       ARG  69   9.049  12.080  -5.080
  534   1HB   ARG  69          2HB       ARG  69  11.434  13.436  -3.922
  535   2HB   ARG  69          1HB       ARG  69   9.732  13.646  -3.526
  536   1HG   ARG  69          2HG       ARG  69  11.596  11.447  -2.647
  537   2HG   ARG  69          1HG       ARG  69  10.690  12.567  -1.634
  538   1HD   ARG  69          2HD       ARG  69   9.786  10.054  -2.956
  539   2HD   ARG  69          1HD       ARG  69   9.248  10.782  -1.435
  540    HE   ARG  69           HE       ARG  69   8.000  11.196  -3.989
  541   1HH1  ARG  69          1HH2      ARG  69   7.718  12.020  -0.817
  542   2HH1  ARG  69          2HH2      ARG  69   7.120  13.626  -1.070
  543   1HH2  ARG  69          1HH1      ARG  69   7.796  13.630  -4.471
  544   2HH2  ARG  69          2HH1      ARG  69   7.170  14.539  -3.138
  545    H    ASP  70           H        ASP  70  12.405  11.724  -6.052
  546    HA   ASP  70           HA       ASP  70  12.729  14.012  -7.686
  547   1HB   ASP  70          2HB       ASP  70  14.584  12.562  -7.342
  548   2HB   ASP  70          1HB       ASP  70  13.661  11.136  -7.819
  549    H    GLU  71           H        GLU  71  10.564  11.370  -7.911
  550    HA   GLU  71           HA       GLU  71   9.673  12.294 -10.616
  551   1HB   GLU  71          2HB       GLU  71   9.544  10.026 -11.346
  552   2HB   GLU  71          1HB       GLU  71  11.091  10.143 -10.507
  553   1HG   GLU  71          2HG       GLU  71   9.596   9.467  -8.408
  554   2HG   GLU  71          1HG       GLU  71   8.580   8.760  -9.665
  555    H    ASP  72           H        ASP  72   8.389  13.356  -8.518
  556    HA   ASP  72           HA       ASP  72   6.313  11.726  -7.367
  557   1HB   ASP  72          2HB       ASP  72   5.499  13.993  -6.634
  558   2HB   ASP  72          1HB       ASP  72   7.197  13.694  -6.260
  559    H    PHE  73           H        PHE  73   4.095  11.684  -7.933
  560    HA   PHE  73           HA       PHE  73   3.395  11.783 -10.679
  561   1HB   PHE  73          2HB       PHE  73   2.382  10.587  -8.598
  562   2HB   PHE  73          1HB       PHE  73   1.455  12.072  -8.386
  563    HD1  PHE  73           1HD      PHE  73   0.603  12.985 -10.888
  564    HD2  PHE  73           2HD      PHE  73   1.197   8.910  -9.668
  565    HE1  PHE  73           1HE      PHE  73  -0.989  12.231 -12.635
  566    HE2  PHE  73           2HE      PHE  73  -0.395   8.155 -11.414
  567    HZ   PHE  73           HZ       PHE  73  -1.487   9.815 -12.898
  568    H    VAL  74           H        VAL  74   3.112  13.594 -11.916
  569    HA   VAL  74           HA       VAL  74   1.909  16.020 -10.628
  570    HB   VAL  74           HB       VAL  74   4.316  15.694 -12.430
  571   1HG1  VAL  74          1HG1      VAL  74   2.994  17.470 -13.427
  572   2HG1  VAL  74          2HG1      VAL  74   4.334  18.203 -12.546
  573   3HG1  VAL  74          3HG1      VAL  74   2.714  18.204 -11.847
  574   1HG2  VAL  74          1HG2      VAL  74   5.520  16.476 -10.636
  575   2HG2  VAL  74          2HG2      VAL  74   4.160  15.799  -9.737
  576   3HG2  VAL  74          3HG2      VAL  74   4.215  17.528 -10.086
  577    H    LYS  75           H        LYS  75   0.929  17.499 -12.321
  578    HA   LYS  75           HA       LYS  75  -1.035  16.360 -13.892
  579   1HB   LYS  75          2HB       LYS  75   0.614  18.867 -14.097
  580   2HB   LYS  75          1HB       LYS  75  -0.604  18.528 -15.325
  581   1HG   LYS  75          2HG       LYS  75  -1.269  18.381 -12.386
  582   2HG   LYS  75          1HG       LYS  75  -1.343  19.909 -13.267
  583   1HD   LYS  75          2HD       LYS  75  -2.724  17.452 -14.334
  584   2HD   LYS  75          1HD       LYS  75  -3.506  18.470 -13.123
  585   1HE   LYS  75          2HE       LYS  75  -3.052  20.456 -14.658
  586   2HE   LYS  75          1HE       LYS  75  -2.597  19.275 -15.902
  587   1HZ   LYS  75          1HZ       LYS  75  -4.902  19.611 -16.163
  588   2HZ   LYS  75          2HZ       LYS  75  -5.193  19.523 -14.491
  589   3HZ   LYS  75          3HZ       LYS  75  -4.755  18.127 -15.355
  590    HA   PRO  76           HA       PRO  76   1.268  14.262 -17.049
  591   1HB   PRO  76          2HB       PRO  76  -0.876  13.553 -18.596
  592   2HB   PRO  76          1HB       PRO  76  -0.462  12.725 -17.081
  593   1HG   PRO  76          2HG       PRO  76  -2.546  14.782 -17.605
  594   2HG   PRO  76          1HG       PRO  76  -2.602  13.359 -16.554
  595   1HD   PRO  76          2HD       PRO  76  -2.205  15.908 -15.645
  596   2HD   PRO  76          1HD       PRO  76  -1.621  14.455 -14.804
  Start of MODEL    3
    1    H    GLU   1           1HT      GLU   1   9.970 -26.972  10.995
    2    HA   GLU   1           HA       GLU   1  11.972 -25.779  11.956
    3   1HB   GLU   1          2HB       GLU   1  11.968 -27.216   9.969
    4   2HB   GLU   1          1HB       GLU   1  11.371 -25.882   8.982
    5   1HG   GLU   1          2HG       GLU   1  13.663 -25.779   8.558
    6   2HG   GLU   1          1HG       GLU   1  13.499 -24.631   9.888
    7    H    ARG   2           H        ARG   2  10.541 -24.023   9.172
    8    HA   ARG   2           HA       ARG   2  11.871 -21.536   9.975
    9   1HB   ARG   2          2HB       ARG   2   9.802 -22.149   7.839
   10   2HB   ARG   2          1HB       ARG   2  10.825 -20.714   7.907
   11   1HG   ARG   2          2HG       ARG   2  12.689 -21.840   7.199
   12   2HG   ARG   2          1HG       ARG   2  12.226 -23.331   8.019
   13   1HD   ARG   2          2HD       ARG   2  10.689 -22.340   5.609
   14   2HD   ARG   2          1HD       ARG   2  12.132 -23.361   5.436
   15    HE   ARG   2           HE       ARG   2  10.680 -24.694   7.352
   16   1HH1  ARG   2          1HH2      ARG   2  10.974 -25.772   4.567
   17   2HH1  ARG   2          2HH2      ARG   2   9.323 -25.919   4.061
   18   1HH2  ARG   2          1HH1      ARG   2   8.095 -23.862   6.569
   19   2HH2  ARG   2          2HH1      ARG   2   7.695 -24.837   5.193
   20    H    ARG   3           H        ARG   3  10.020 -19.581   9.484
   21    HA   ARG   3           HA       ARG   3   8.399 -19.604  11.907
   22   1HB   ARG   3          2HB       ARG   3   7.824 -17.333  11.119
   23   2HB   ARG   3          1HB       ARG   3   9.560 -17.616  10.994
   24   1HG   ARG   3          2HG       ARG   3   9.502 -17.801   8.669
   25   2HG   ARG   3          1HG       ARG   3   7.794 -18.244   8.648
   26   1HD   ARG   3          2HD       ARG   3   7.842 -15.989   7.863
   27   2HD   ARG   3          1HD       ARG   3   7.373 -15.848   9.570
   28    HE   ARG   3           HE       ARG   3   9.491 -14.892  10.021
   29   1HH1  ARG   3          1HH1      ARG   3   9.625 -13.772   7.307
   30   2HH1  ARG   3          2HH1      ARG   3  11.104 -14.422   6.683
   31   1HH2  ARG   3          1HH2      ARG   3  11.330 -16.915   9.081
   32   2HH2  ARG   3          2HH2      ARG   3  12.070 -16.202   7.688
   33    H    ARG   4           H        ARG   4   6.157 -18.115  10.743
   34    HA   ARG   4           HA       ARG   4   4.759 -20.307   9.243
   35   1HB   ARG   4          2HB       ARG   4   4.204 -18.954  11.812
   36   2HB   ARG   4          1HB       ARG   4   2.808 -19.090  10.743
   37   1HG   ARG   4          2HG       ARG   4   3.385 -21.545  10.469
   38   2HG   ARG   4          1HG       ARG   4   4.567 -21.335  11.762
   39   1HD   ARG   4          2HD       ARG   4   2.329 -20.186  12.878
   40   2HD   ARG   4          1HD       ARG   4   1.629 -21.515  11.935
   41    HE   ARG   4           HE       ARG   4   3.428 -21.810  14.228
   42   1HH1  ARG   4          1HH2      ARG   4   2.610 -23.120  11.159
   43   2HH1  ARG   4          2HH2      ARG   4   2.766 -24.769  11.666
   44   1HH2  ARG   4          1HH1      ARG   4   3.455 -23.966  14.969
   45   2HH2  ARG   4          2HH1      ARG   4   3.244 -25.247  13.822
   46    H    HIS   5           H        HIS   5   4.766 -19.270   7.212
   47    HA   HIS   5           HA       HIS   5   2.848 -17.146   6.787
   48   1HB   HIS   5          2HB       HIS   5   4.381 -15.349   6.303
   49   2HB   HIS   5          1HB       HIS   5   4.850 -16.008   7.871
   50    HD1  HIS   5           1HD      HIS   5   6.548 -18.355   7.242
   51    HD2  HIS   5           2HD      HIS   5   6.732 -14.886   4.939
   52    HE1  HIS   5           1HE      HIS   5   8.794 -18.390   6.073
   53    H    SER   6           H        SER   6   3.320 -19.721   5.632
   54    HA   SER   6           HA       SER   6   4.193 -18.978   2.856
   55   1HB   SER   6          2HB       SER   6   4.154 -21.816   3.715
   56   2HB   SER   6          1HB       SER   6   5.368 -20.943   2.788
   57    HG   SER   6           HG       SER   6   5.169 -21.380   5.487
   58    H    GLY   7           H        GLY   7   2.911 -19.883   1.128
   59   1HA   GLY   7          2HA       GLY   7   1.020 -21.499   0.593
   60   2HA   GLY   7          1HA       GLY   7   0.204 -20.815   1.999
   61    H    GLN   8           H        GLN   8   2.081 -19.049  -0.440
   62    HA   GLN   8           HA       GLN   8   1.431 -17.301  -1.889
   63   1HB   GLN   8          2HB       GLN   8  -0.924 -19.164  -1.733
   64   2HB   GLN   8          1HB       GLN   8  -1.062 -17.665  -2.652
   65   1HG   GLN   8          2HG       GLN   8   0.849 -18.273  -4.028
   66   2HG   GLN   8          1HG       GLN   8   1.137 -19.712  -3.049
   67   1HE2  GLN   8          1HE2      GLN   8  -1.600 -20.575  -2.760
   68   2HE2  GLN   8          2HE2      GLN   8  -2.162 -21.057  -4.286
   69    H    ASP   9           H        ASP   9   0.834 -15.190  -1.463
   70    HA   ASP   9           HA       ASP   9  -1.427 -14.627   0.366
   71   1HB   ASP   9          2HB       ASP   9   1.480 -14.377   0.984
   72   2HB   ASP   9          1HB       ASP   9   0.430 -13.077   1.551
   73    H    VAL  10           H        VAL  10  -1.181 -11.988   0.750
   74    HA   VAL  10           HA       VAL  10  -1.269 -10.875  -1.969
   75    HB   VAL  10           HB       VAL  10  -1.880  -9.352   0.528
   76   1HG1  VAL  10          1HG1      VAL  10  -2.187  -8.291  -1.659
   77   2HG1  VAL  10          2HG1      VAL  10  -3.755  -8.557  -0.896
   78   3HG1  VAL  10          3HG1      VAL  10  -3.208  -9.630  -2.184
   79   1HG2  VAL  10          1HG2      VAL  10  -3.201 -11.865  -0.379
   80   2HG2  VAL  10          2HG2      VAL  10  -4.255 -10.546   0.126
   81   3HG2  VAL  10          3HG2      VAL  10  -3.059 -11.197   1.247
   82    H    HIS  11           H        HIS  11   0.621  -9.955  -2.729
   83    HA   HIS  11           HA       HIS  11   2.281  -8.384  -0.783
   84   1HB   HIS  11          2HB       HIS  11   3.311 -10.117  -3.051
   85   2HB   HIS  11          1HB       HIS  11   4.257  -9.366  -1.765
   86    HD1  HIS  11           1HD      HIS  11   2.480 -12.438  -2.607
   87    HD2  HIS  11           2HD      HIS  11   3.565 -10.486   0.912
   88    HE1  HIS  11           1HE      HIS  11   2.284 -14.148  -0.750
   89    H    VAL  12           H        VAL  12   2.758  -6.327  -1.544
   90    HA   VAL  12           HA       VAL  12   2.788  -5.812  -4.467
   91    HB   VAL  12           HB       VAL  12   1.101  -3.949  -2.892
   92   1HG1  VAL  12          1HG1      VAL  12   1.322  -3.628  -5.265
   93   2HG1  VAL  12          2HG1      VAL  12  -0.311  -4.226  -4.974
   94   3HG1  VAL  12          3HG1      VAL  12   0.932  -5.317  -5.587
   95   1HG2  VAL  12          1HG2      VAL  12  -0.850  -5.432  -2.923
   96   2HG2  VAL  12          2HG2      VAL  12   0.433  -6.164  -1.962
   97   3HG2  VAL  12          3HG2      VAL  12   0.123  -6.735  -3.603
   98    H    VAL  13           H        VAL  13   3.435  -3.481  -4.887
   99    HA   VAL  13           HA       VAL  13   5.402  -2.585  -2.819
  100    HB   VAL  13           HB       VAL  13   5.141  -1.858  -5.754
  101   1HG1  VAL  13          1HG1      VAL  13   7.641  -1.810  -4.077
  102   2HG1  VAL  13          2HG1      VAL  13   6.519  -0.451  -4.040
  103   3HG1  VAL  13          3HG1      VAL  13   7.286  -0.921  -5.557
  104   1HG2  VAL  13          1HG2      VAL  13   6.269  -4.239  -4.377
  105   2HG2  VAL  13          2HG2      VAL  13   7.273  -3.526  -5.638
  106   3HG2  VAL  13          3HG2      VAL  13   5.643  -4.081  -6.017
  107    H    LEU  14           H        LEU  14   5.525  -0.238  -2.395
  108    HA   LEU  14           HA       LEU  14   3.073   1.291  -3.186
  109   1HB   LEU  14          2HB       LEU  14   2.612   0.367  -1.026
  110   2HB   LEU  14          1HB       LEU  14   4.226   0.767  -0.439
  111    HG   LEU  14           HG       LEU  14   2.410   2.951  -1.425
  112   1HD1  LEU  14          1HD1      LEU  14   1.498   3.210   0.822
  113   2HD1  LEU  14          2HD1      LEU  14   2.443   1.835   1.395
  114   3HD1  LEU  14          3HD1      LEU  14   1.136   1.586   0.236
  115   1HD2  LEU  14          1HD2      LEU  14   5.003   2.729  -0.225
  116   2HD2  LEU  14          2HD2      LEU  14   3.942   3.570   0.905
  117   3HD2  LEU  14          3HD2      LEU  14   4.159   4.192  -0.731
  118    H    LYS  15           H        LYS  15   3.612   3.330  -3.885
  119    HA   LYS  15           HA       LYS  15   6.277   4.405  -3.179
  120   1HB   LYS  15          2HB       LYS  15   6.270   4.126  -5.491
  121   2HB   LYS  15          1HB       LYS  15   4.526   4.375  -5.604
  122   1HG   LYS  15          2HG       LYS  15   4.706   6.660  -5.623
  123   2HG   LYS  15          1HG       LYS  15   6.194   6.665  -4.675
  124   1HD   LYS  15          2HD       LYS  15   5.957   5.782  -7.569
  125   2HD   LYS  15          1HD       LYS  15   6.640   7.315  -7.022
  126   1HE   LYS  15          2HE       LYS  15   8.280   5.917  -5.624
  127   2HE   LYS  15          1HE       LYS  15   7.731   4.524  -6.577
  128   1HZ   LYS  15          1HZ       LYS  15   8.815   7.074  -7.656
  129   2HZ   LYS  15          2HZ       LYS  15   8.195   5.803  -8.600
  130   3HZ   LYS  15          3HZ       LYS  15   9.599   5.571  -7.672
  131    H    LEU  16           H        LEU  16   6.320   6.791  -2.819
  132    HA   LEU  16           HA       LEU  16   3.629   7.859  -2.025
  133   1HB   LEU  16          2HB       LEU  16   5.817   7.187  -0.426
  134   2HB   LEU  16          1HB       LEU  16   5.924   8.940  -0.575
  135    HG   LEU  16           HG       LEU  16   3.471   9.051   0.033
  136   1HD1  LEU  16          1HD1      LEU  16   3.121   6.590  -0.583
  137   2HD1  LEU  16          2HD1      LEU  16   2.383   7.123   0.927
  138   3HD1  LEU  16          3HD1      LEU  16   3.884   6.200   0.958
  139   1HD2  LEU  16          1HD2      LEU  16   4.255   7.898   2.466
  140   2HD2  LEU  16          2HD2      LEU  16   4.457   9.585   1.995
  141   3HD2  LEU  16          3HD2      LEU  16   5.761   8.432   1.721
  142    H    TRP  17           H        TRP  17   3.162   9.463  -3.479
  143    HA   TRP  17           HA       TRP  17   5.289  11.050  -4.752
  144   1HB   TRP  17          2HB       TRP  17   2.277  11.320  -4.939
  145   2HB   TRP  17          1HB       TRP  17   3.476  11.797  -6.136
  146    HD1  TRP  17           HD       TRP  17   1.473   8.863  -4.942
  147    HE1  TRP  17           1HE      TRP  17   1.989   6.828  -6.400
  148    HE3  TRP  17           3HE      TRP  17   5.434  10.583  -7.592
  149    HZ2  TRP  17           2HZ      TRP  17   3.788   6.002  -8.427
  150    HZ3  TRP  17           3HZ      TRP  17   6.546   9.172  -9.295
  151    HH2  TRP  17           HH       TRP  17   5.719   6.868  -9.716
  152    H    LYS  18           H        LYS  18   4.727  13.532  -4.861
  153    HA   LYS  18           HA       LYS  18   5.277  14.875  -2.555
  154   1HB   LYS  18          2HB       LYS  18   3.832  16.742  -3.617
  155   2HB   LYS  18          1HB       LYS  18   5.136  16.066  -4.590
  156   1HG   LYS  18          2HG       LYS  18   3.672  14.831  -5.937
  157   2HG   LYS  18          1HG       LYS  18   2.385  14.863  -4.733
  158   1HD   LYS  18          2HD       LYS  18   1.526  16.535  -6.010
  159   2HD   LYS  18          1HD       LYS  18   2.738  17.537  -5.209
  160   1HE   LYS  18          2HE       LYS  18   3.995  16.144  -7.393
  161   2HE   LYS  18          1HE       LYS  18   2.545  16.976  -7.989
  162   1HZ   LYS  18          1HZ       LYS  18   4.920  18.093  -6.683
  163   2HZ   LYS  18          2HZ       LYS  18   3.422  18.833  -6.376
  164   3HZ   LYS  18          3HZ       LYS  18   4.003  18.715  -7.968
  165    H    THR  19           H        THR  19   2.049  13.654  -3.410
  166    HA   THR  19           HA       THR  19   1.228  13.929  -0.588
  167    HB   THR  19           HB       THR  19   0.724  16.138  -1.338
  168    HG1  THR  19           1HG      THR  19  -1.700  15.842  -1.770
  169   1HG2  THR  19          1HG2      THR  19   1.044  15.967  -3.687
  170   2HG2  THR  19          2HG2      THR  19  -0.647  16.424  -3.485
  171   3HG2  THR  19          3HG2      THR  19  -0.223  14.751  -3.847
  172    H    GLY  20           H        GLY  20   1.545  11.846  -2.759
  173   1HA   GLY  20          2HA       GLY  20  -1.032  10.538  -2.305
  174   2HA   GLY  20          1HA       GLY  20  -0.612  10.797  -3.988
  175    H    PHE  21           H        PHE  21  -0.908   8.250  -2.631
  176    HA   PHE  21           HA       PHE  21   1.914   7.241  -2.860
  177   1HB   PHE  21          2HB       PHE  21   1.068   5.443  -1.290
  178   2HB   PHE  21          1HB       PHE  21   1.091   7.064  -0.596
  179    HD1  PHE  21           1HD      PHE  21  -0.928   8.143   0.092
  180    HD2  PHE  21           2HD      PHE  21  -1.113   4.510  -2.170
  181    HE1  PHE  21           1HE      PHE  21  -3.346   7.991   0.536
  182    HE2  PHE  21           2HE      PHE  21  -3.532   4.356  -1.727
  183    HZ   PHE  21           HZ       PHE  21  -4.630   6.098  -0.376
  184    H    SER  22           H        SER  22   2.238   5.443  -4.202
  185    HA   SER  22           HA       SER  22  -0.131   4.589  -5.828
  186   1HB   SER  22          2HB       SER  22   1.585   5.482  -7.206
  187   2HB   SER  22          1HB       SER  22   2.849   4.683  -6.279
  188    HG   SER  22           HG       SER  22   1.377   3.774  -8.369
  189    H    LEU  23           H        LEU  23   0.278   2.253  -6.709
  190    HA   LEU  23           HA       LEU  23   1.515   0.408  -4.776
  191   1HB   LEU  23          2HB       LEU  23  -1.071   1.263  -4.400
  192   2HB   LEU  23          1HB       LEU  23  -1.282  -0.234  -5.302
  193    HG   LEU  23           HG       LEU  23  -1.250  -0.780  -2.957
  194   1HD1  LEU  23          1HD1      LEU  23   1.119  -2.016  -2.958
  195   2HD1  LEU  23          2HD1      LEU  23   1.092  -1.532  -4.652
  196   3HD1  LEU  23          3HD1      LEU  23  -0.194  -2.548  -4.006
  197   1HD2  LEU  23          1HD2      LEU  23   0.159   0.162  -1.425
  198   2HD2  LEU  23          2HD2      LEU  23   0.337   1.411  -2.656
  199   3HD2  LEU  23          3HD2      LEU  23   1.538   0.125  -2.525
  200    H    ASP  24           H        ASP  24   2.753  -0.313  -6.618
  201    HA   ASP  24           HA       ASP  24   3.132  -1.819  -8.407
  202   1HB   ASP  24          2HB       ASP  24   1.137  -2.876  -6.959
  203   2HB   ASP  24          1HB       ASP  24   0.232  -2.540  -8.434
  204    H    ASN  25           H        ASN  25   0.741  -2.377 -10.270
  205    HA   ASN  25           HA       ASN  25   1.203  -0.091 -12.048
  206   1HB   ASN  25          2HB       ASN  25   0.442  -2.829 -12.185
  207   2HB   ASN  25          1HB       ASN  25  -0.820  -1.877 -12.963
  208   1HD2  ASN  25          1HD2      ASN  25  -0.181  -2.536 -15.134
  209   2HD2  ASN  25          2HD2      ASN  25   1.262  -1.987 -15.838
  210    H    GLY  26           H        GLY  26  -1.076  -0.886  -9.621
  211   1HA   GLY  26          2HA       GLY  26  -3.516   0.093 -10.564
  212   2HA   GLY  26          1HA       GLY  26  -2.984   0.288  -8.895
  213    H    ASP  27           H        ASP  27  -4.509   2.253 -10.231
  214    HA   ASP  27           HA       ASP  27  -2.947   4.351 -11.384
  215   1HB   ASP  27          2HB       ASP  27  -5.016   5.695 -10.657
  216   2HB   ASP  27          1HB       ASP  27  -5.304   4.312 -11.710
  217    H    LEU  28           H        LEU  28  -3.232   6.636 -10.074
  218    HA   LEU  28           HA       LEU  28  -1.506   6.347  -7.711
  219   1HB   LEU  28          2HB       LEU  28  -0.889   8.001  -9.273
  220   2HB   LEU  28          1HB       LEU  28  -2.540   8.571  -9.411
  221    HG   LEU  28           HG       LEU  28  -2.383   9.205  -6.933
  222   1HD1  LEU  28          1HD1      LEU  28  -0.147   7.764  -6.883
  223   2HD1  LEU  28          2HD1      LEU  28  -0.333   9.186  -5.857
  224   3HD1  LEU  28          3HD1      LEU  28   0.576   9.299  -7.364
  225   1HD2  LEU  28          1HD2      LEU  28  -0.478  10.649  -8.800
  226   2HD2  LEU  28          2HD2      LEU  28  -1.376  11.341  -7.449
  227   3HD2  LEU  28          3HD2      LEU  28  -2.233  10.799  -8.894
  228    H    ARG  29           H        ARG  29  -2.149   6.829  -5.591
  229    HA   ARG  29           HA       ARG  29  -5.076   7.302  -5.192
  230   1HB   ARG  29          2HB       ARG  29  -2.873   5.872  -3.766
  231   2HB   ARG  29          1HB       ARG  29  -4.176   6.542  -2.784
  232   1HG   ARG  29          2HG       ARG  29  -4.851   4.315  -3.340
  233   2HG   ARG  29          1HG       ARG  29  -5.798   5.384  -4.375
  234   1HD   ARG  29          2HD       ARG  29  -4.322   4.972  -6.261
  235   2HD   ARG  29          1HD       ARG  29  -3.206   4.048  -5.234
  236    HE   ARG  29           HE       ARG  29  -5.889   2.993  -5.043
  237   1HH1  ARG  29          1HH1      ARG  29  -4.245   3.500  -7.868
  238   2HH1  ARG  29          2HH1      ARG  29  -4.024   1.831  -8.273
  239   1HH2  ARG  29          1HH2      ARG  29  -5.108   0.665  -5.193
  240   2HH2  ARG  29          2HH2      ARG  29  -4.512   0.225  -6.759
  241    H    SER  30           H        SER  30  -5.750   9.108  -4.017
  242    HA   SER  30           HA       SER  30  -3.725  11.203  -3.518
  243   1HB   SER  30          2HB       SER  30  -6.447  11.024  -4.310
  244   2HB   SER  30          1HB       SER  30  -6.424  11.882  -2.772
  245    HG   SER  30           HG       SER  30  -4.528  12.536  -4.727
  246    H    TYR  31           H        TYR  31  -2.952  11.648  -1.495
  247    HA   TYR  31           HA       TYR  31  -3.307  10.070   0.779
  248   1HB   TYR  31          2HB       TYR  31  -2.228  12.669   0.049
  249   2HB   TYR  31          1HB       TYR  31  -2.876  12.690   1.689
  250    HD1  TYR  31           1HD      TYR  31  -1.869  11.404   3.460
  251    HD2  TYR  31           2HD      TYR  31  -0.455  11.044  -0.580
  252    HE1  TYR  31           1HE      TYR  31   0.124  10.167   4.268
  253    HE2  TYR  31           2HE      TYR  31   1.538   9.806   0.227
  254    HH   TYR  31           HH       TYR  31   2.101   8.376   2.290
  255    H    GLN  32           H        GLN  32  -5.545  12.372  -0.541
  256    HA   GLN  32           HA       GLN  32  -7.126  12.305   1.965
  257   1HB   GLN  32          2HB       GLN  32  -6.287  14.509   1.161
  258   2HB   GLN  32          1HB       GLN  32  -7.188  14.268  -0.336
  259   1HG   GLN  32          2HG       GLN  32  -8.933  13.798   1.903
  260   2HG   GLN  32          1HG       GLN  32  -8.148  15.365   2.096
  261   1HE2  GLN  32          1HE2      GLN  32 -10.221  13.461  -0.089
  262   2HE2  GLN  32          2HE2      GLN  32 -10.781  14.789  -0.986
  263    H    ASP  33           H        ASP  33  -6.993  10.698  -0.868
  264    HA   ASP  33           HA       ASP  33  -9.707  10.939  -1.863
  265   1HB   ASP  33          2HB       ASP  33  -8.990   9.290  -3.384
  266   2HB   ASP  33          1HB       ASP  33  -7.484  10.091  -2.947
  267    HA   PRO  34           HA       PRO  34 -11.713   7.903   0.628
  268   1HB   PRO  34          2HB       PRO  34 -12.940   6.202  -1.119
  269   2HB   PRO  34          1HB       PRO  34 -13.443   7.889  -0.902
  270   1HG   PRO  34          2HG       PRO  34 -11.971   6.638  -3.120
  271   2HG   PRO  34          1HG       PRO  34 -12.991   8.081  -3.111
  272   1HD   PRO  34          2HD       PRO  34 -10.167   7.989  -3.099
  273   2HD   PRO  34          1HD       PRO  34 -11.193   9.423  -2.882
  274    H    SER  35           H        SER  35 -10.576   5.823  -2.068
  275    HA   SER  35           HA       SER  35 -10.186   3.432  -0.737
  276   1HB   SER  35          2HB       SER  35  -9.652   3.249  -2.955
  277   2HB   SER  35          1HB       SER  35  -8.966   4.870  -3.020
  278    HG   SER  35           HG       SER  35  -7.080   4.101  -2.193
  279    H    ASN  36           H        ASN  36  -8.238   6.343  -0.439
  280    HA   ASN  36           HA       ASN  36  -5.910   5.217   0.741
  281   1HB   ASN  36          2HB       ASN  36  -5.431   7.478   1.337
  282   2HB   ASN  36          1HB       ASN  36  -6.360   7.566  -0.157
  283   1HD2  ASN  36          1HD2      ASN  36  -6.587   9.871   1.075
  284   2HD2  ASN  36          2HD2      ASN  36  -8.004  10.021   1.998
  285    H    ALA  37           H        ALA  37  -9.087   5.269   1.921
  286    HA   ALA  37           HA       ALA  37  -8.704   5.712   4.709
  287   1HB   ALA  37          1HB       ALA  37 -10.666   3.732   3.583
  288   2HB   ALA  37          2HB       ALA  37 -10.817   5.436   3.151
  289   3HB   ALA  37          3HB       ALA  37 -10.915   4.941   4.842
  290    H    GLN  38           H        GLN  38  -9.051   2.609   2.958
  291    HA   GLN  38           HA       GLN  38  -7.997   1.068   5.201
  292   1HB   GLN  38          2HB       GLN  38  -9.645   0.376   3.338
  293   2HB   GLN  38          1HB       GLN  38  -8.226   0.218   2.304
  294   1HG   GLN  38          2HG       GLN  38  -7.676  -1.764   3.238
  295   2HG   GLN  38          1HG       GLN  38  -7.792  -1.088   4.864
  296   1HE2  GLN  38          1HE2      GLN  38  -8.989  -2.880   5.764
  297   2HE2  GLN  38          2HE2      GLN  38 -10.583  -3.228   5.296
  298    H    PHE  39           H        PHE  39  -6.690   2.607   2.338
  299    HA   PHE  39           HA       PHE  39  -4.141   1.186   2.393
  300   1HB   PHE  39          2HB       PHE  39  -5.261   2.172   0.382
  301   2HB   PHE  39          1HB       PHE  39  -4.974   3.773   1.058
  302    HD1  PHE  39           1HD      PHE  39  -2.395   4.064   1.929
  303    HD2  PHE  39           2HD      PHE  39  -3.731   1.457  -1.216
  304    HE1  PHE  39           1HE      PHE  39  -0.120   4.074   0.952
  305    HE2  PHE  39           2HE      PHE  39  -1.458   1.471  -2.190
  306    HZ   PHE  39           HZ       PHE  39   0.351   2.777  -1.109
  307    H    LEU  40           H        LEU  40  -4.806   4.668   2.759
  308    HA   LEU  40           HA       LEU  40  -2.390   5.397   3.947
  309   1HB   LEU  40          2HB       LEU  40  -4.623   6.588   3.084
  310   2HB   LEU  40          1HB       LEU  40  -4.896   6.676   4.811
  311    HG   LEU  40           HG       LEU  40  -3.264   8.237   5.127
  312   1HD1  LEU  40          1HD1      LEU  40  -1.130   8.247   3.768
  313   2HD1  LEU  40          2HD1      LEU  40  -1.714   6.792   2.959
  314   3HD1  LEU  40          3HD1      LEU  40  -1.395   6.768   4.694
  315   1HD2  LEU  40          1HD2      LEU  40  -4.285   9.546   3.546
  316   2HD2  LEU  40          2HD2      LEU  40  -4.126   8.322   2.287
  317   3HD2  LEU  40          3HD2      LEU  40  -2.745   9.333   2.715
  318    H    GLU  41           H        GLU  41  -5.345   4.235   5.507
  319    HA   GLU  41           HA       GLU  41  -4.287   4.604   8.187
  320   1HB   GLU  41          2HB       GLU  41  -6.638   2.946   7.269
  321   2HB   GLU  41          1HB       GLU  41  -6.408   3.690   8.852
  322   1HG   GLU  41          2HG       GLU  41  -6.608   5.253   6.272
  323   2HG   GLU  41          1HG       GLU  41  -7.972   4.964   7.350
  324    H    SER  42           H        SER  42  -5.337   1.662   6.483
  325    HA   SER  42           HA       SER  42  -4.155  -0.184   8.267
  326   1HB   SER  42          2HB       SER  42  -5.792  -0.354   6.190
  327   2HB   SER  42          1HB       SER  42  -4.303  -0.735   5.335
  328    HG   SER  42           HG       SER  42  -5.683  -2.157   7.281
  329    H    ILE  43           H        ILE  43  -2.806   1.267   5.302
  330    HA   ILE  43           HA       ILE  43  -0.338  -0.135   5.342
  331    HB   ILE  43           HB       ILE  43  -1.144   2.549   4.306
  332   1HG1  ILE  43          2HG1      ILE  43  -1.645  -0.170   3.473
  333   2HG1  ILE  43          1HG1      ILE  43  -2.284   1.322   2.795
  334   1HG2  ILE  43          1HG2      ILE  43   1.219   0.909   3.445
  335   2HG2  ILE  43          2HG2      ILE  43   1.333   2.192   4.649
  336   3HG2  ILE  43          3HG2      ILE  43   0.838   2.571   3.000
  337   1HD1  ILE  43          1HD1      ILE  43  -0.089   1.602   1.572
  338   2HD1  ILE  43          2HD1      ILE  43  -1.050   0.221   1.045
  339   3HD1  ILE  43          3HD1      ILE  43   0.339  -0.023   2.106
  340    H    ARG  44           H        ARG  44  -1.292   3.020   6.655
  341    HA   ARG  44           HA       ARG  44   1.202   3.809   7.740
  342   1HB   ARG  44          2HB       ARG  44  -1.701   4.327   8.262
  343   2HB   ARG  44          1HB       ARG  44  -0.531   4.921   9.443
  344   1HG   ARG  44          2HG       ARG  44   0.692   6.092   7.644
  345   2HG   ARG  44          1HG       ARG  44  -0.490   5.512   6.468
  346   1HD   ARG  44          2HD       ARG  44  -1.605   7.453   6.921
  347   2HD   ARG  44          1HD       ARG  44  -2.086   6.657   8.433
  348    HE   ARG  44           HE       ARG  44   0.042   7.624   9.427
  349   1HH1  ARG  44          1HH2      ARG  44   0.630   8.612   6.465
  350   2HH1  ARG  44          2HH2      ARG  44   0.451  10.317   6.713
  351   1HH2  ARG  44          1HH1      ARG  44  -1.063   9.976   9.813
  352   2HH2  ARG  44          2HH1      ARG  44  -0.507  11.088   8.607
  353    H    ARG  45           H        ARG  45  -1.046   1.351   8.740
  354    HA   ARG  45           HA       ARG  45   0.048   1.144  11.452
  355   1HB   ARG  45          2HB       ARG  45  -2.270   0.294   9.938
  356   2HB   ARG  45          1HB       ARG  45  -1.563  -1.078  10.792
  357   1HG   ARG  45          2HG       ARG  45  -1.869  -0.099  12.894
  358   2HG   ARG  45          1HG       ARG  45  -1.962   1.532  12.227
  359   1HD   ARG  45          2HD       ARG  45  -4.189   0.478  13.001
  360   2HD   ARG  45          1HD       ARG  45  -4.170   1.151  11.359
  361    HE   ARG  45           HE       ARG  45  -3.289  -1.591  11.323
  362   1HH1  ARG  45          1HH2      ARG  45  -6.077  -0.539  12.761
  363   2HH1  ARG  45          2HH2      ARG  45  -7.172  -1.282  11.643
  364   1HH2  ARG  45          1HH1      ARG  45  -4.690  -2.143   9.379
  365   2HH2  ARG  45          2HH1      ARG  45  -6.386  -2.191   9.727
  366    H    GLY  46           H        GLY  46   0.659  -0.047   8.307
  367   1HA   GLY  46          2HA       GLY  46   3.031  -1.408   8.957
  368   2HA   GLY  46          1HA       GLY  46   1.742  -2.611   8.904
  369    H    GLU  47           H        GLU  47   0.719  -3.056   6.907
  370    HA   GLU  47           HA       GLU  47   1.650  -1.616   4.485
  371   1HB   GLU  47          2HB       GLU  47   2.279  -3.970   3.573
  372   2HB   GLU  47          1HB       GLU  47   3.406  -3.176   4.673
  373   1HG   GLU  47          2HG       GLU  47   1.295  -4.832   5.946
  374   2HG   GLU  47          1HG       GLU  47   2.527  -5.712   5.043
  375    H    VAL  48           H        VAL  48  -0.292  -1.283   3.417
  376    HA   VAL  48           HA       VAL  48  -2.012  -3.603   2.886
  377    HB   VAL  48           HB       VAL  48  -2.785  -1.163   4.481
  378   1HG1  VAL  48          1HG1      VAL  48  -4.468  -1.492   2.703
  379   2HG1  VAL  48          2HG1      VAL  48  -5.128  -1.924   4.282
  380   3HG1  VAL  48          3HG1      VAL  48  -4.614  -3.188   3.163
  381   1HG2  VAL  48          1HG2      VAL  48  -2.421  -4.053   4.928
  382   2HG2  VAL  48          2HG2      VAL  48  -3.910  -3.401   5.610
  383   3HG2  VAL  48          3HG2      VAL  48  -2.351  -2.722   6.083
  384    HA   PRO  49           HA       PRO  49  -1.848  -0.792  -0.687
  385   1HB   PRO  49          2HB       PRO  49  -1.207  -2.729  -2.497
  386   2HB   PRO  49          1HB       PRO  49   0.005  -1.918  -1.488
  387   1HG   PRO  49          2HG       PRO  49  -1.082  -4.642  -1.292
  388   2HG   PRO  49          1HG       PRO  49   0.463  -3.999  -0.729
  389   1HD   PRO  49          2HD       PRO  49  -1.855  -4.522   0.820
  390   2HD   PRO  49          1HD       PRO  49  -0.359  -3.743   1.363
  391    H    ALA  50           H        ALA  50  -2.736  -1.877  -3.141
  392    HA   ALA  50           HA       ALA  50  -5.617  -2.102  -2.675
  393   1HB   ALA  50          1HB       ALA  50  -5.490  -1.172  -4.735
  394   2HB   ALA  50          2HB       ALA  50  -4.888  -2.708  -5.361
  395   3HB   ALA  50          3HB       ALA  50  -3.755  -1.483  -4.788
  396    H    GLU  51           H        GLU  51  -3.058  -4.234  -3.989
  397    HA   GLU  51           HA       GLU  51  -4.535  -6.519  -4.610
  398   1HB   GLU  51          2HB       GLU  51  -1.906  -5.845  -4.419
  399   2HB   GLU  51          1HB       GLU  51  -2.052  -6.901  -3.015
  400   1HG   GLU  51          2HG       GLU  51  -3.352  -8.442  -4.760
  401   2HG   GLU  51          1HG       GLU  51  -2.360  -7.551  -5.915
  402    H    LEU  52           H        LEU  52  -3.998  -5.031  -1.507
  403    HA   LEU  52           HA       LEU  52  -4.455  -7.236   0.215
  404   1HB   LEU  52          2HB       LEU  52  -4.054  -5.541   1.670
  405   2HB   LEU  52          1HB       LEU  52  -4.075  -4.432   0.308
  406    HG   LEU  52           HG       LEU  52  -6.762  -4.883   0.774
  407   1HD1  LEU  52          1HD1      LEU  52  -5.219  -4.896   3.363
  408   2HD1  LEU  52          2HD1      LEU  52  -6.486  -6.008   2.845
  409   3HD1  LEU  52          3HD1      LEU  52  -6.893  -4.347   3.276
  410   1HD2  LEU  52          1HD2      LEU  52  -6.261  -2.682   0.370
  411   2HD2  LEU  52          2HD2      LEU  52  -4.799  -2.734   1.352
  412   3HD2  LEU  52          3HD2      LEU  52  -6.376  -2.595   2.129
  413    H    ARG  53           H        ARG  53  -6.733  -4.805  -1.043
  414    HA   ARG  53           HA       ARG  53  -9.080  -6.017  -0.007
  415   1HB   ARG  53          2HB       ARG  53 -10.201  -4.607  -1.692
  416   2HB   ARG  53          1HB       ARG  53  -8.873  -3.712  -0.952
  417   1HG   ARG  53          2HG       ARG  53  -7.730  -3.586  -2.902
  418   2HG   ARG  53          1HG       ARG  53  -8.045  -5.276  -3.294
  419   1HD   ARG  53          2HD       ARG  53  -9.394  -4.393  -4.924
  420   2HD   ARG  53          1HD       ARG  53 -10.548  -4.166  -3.594
  421    HE   ARG  53           HE       ARG  53  -8.557  -2.056  -4.347
  422   1HH1  ARG  53          1HH2      ARG  53 -10.285  -1.886  -1.832
  423   2HH1  ARG  53          2HH2      ARG  53 -11.563  -0.853  -2.380
  424   1HH2  ARG  53          1HH1      ARG  53 -10.809  -1.258  -5.739
  425   2HH2  ARG  53          2HH1      ARG  53 -11.860  -0.497  -4.593
  426    H    ARG  54           H        ARG  54  -7.005  -6.769  -2.685
  427    HA   ARG  54           HA       ARG  54  -8.825  -8.393  -4.203
  428   1HB   ARG  54          2HB       ARG  54  -6.124  -7.492  -4.253
  429   2HB   ARG  54          1HB       ARG  54  -6.101  -9.248  -4.427
  430   1HG   ARG  54          2HG       ARG  54  -8.231  -8.346  -6.042
  431   2HG   ARG  54          1HG       ARG  54  -6.888  -7.248  -6.359
  432   1HD   ARG  54          2HD       ARG  54  -5.404  -9.187  -6.795
  433   2HD   ARG  54          1HD       ARG  54  -6.768 -10.283  -6.504
  434    HE   ARG  54           HE       ARG  54  -6.338  -9.006  -8.966
  435   1HH1  ARG  54          1HH2      ARG  54  -8.714 -10.738  -7.687
  436   2HH1  ARG  54          2HH2      ARG  54 -10.051  -9.813  -8.288
  437   1HH2  ARG  54          1HH1      ARG  54  -8.092  -7.122  -9.261
  438   2HH2  ARG  54          2HH1      ARG  54  -9.698  -7.766  -9.178
  439    H    LEU  55           H        LEU  55  -6.091  -9.396  -2.142
  440    HA   LEU  55           HA       LEU  55  -7.413 -12.001  -1.740
  441   1HB   LEU  55          2HB       LEU  55  -4.645 -10.915  -1.705
  442   2HB   LEU  55          1HB       LEU  55  -4.975 -12.325  -0.698
  443    HG   LEU  55           HG       LEU  55  -6.004 -12.368  -3.499
  444   1HD1  LEU  55          1HD1      LEU  55  -3.746 -11.534  -3.849
  445   2HD1  LEU  55          2HD1      LEU  55  -3.783 -13.245  -4.269
  446   3HD1  LEU  55          3HD1      LEU  55  -3.092 -12.730  -2.731
  447   1HD2  LEU  55          1HD2      LEU  55  -4.779 -14.375  -1.582
  448   2HD2  LEU  55          2HD2      LEU  55  -5.286 -14.770  -3.224
  449   3HD2  LEU  55          3HD2      LEU  55  -6.477 -14.242  -2.035
  450    H    ALA  56           H        ALA  56  -5.768  -9.489   0.171
  451    HA   ALA  56           HA       ALA  56  -6.353 -10.628   2.727
  452   1HB   ALA  56          1HB       ALA  56  -5.437  -8.009   1.620
  453   2HB   ALA  56          2HB       ALA  56  -4.599  -9.111   2.712
  454   3HB   ALA  56          3HB       ALA  56  -5.897  -8.083   3.321
  455    H    HIS  57           H        HIS  57  -7.870  -7.897   1.017
  456    HA   HIS  57           HA       HIS  57  -9.872  -6.730   1.545
  457   1HB   HIS  57          2HB       HIS  57 -11.773  -8.299   1.421
  458   2HB   HIS  57          1HB       HIS  57 -10.545  -8.692   0.221
  459    HD1  HIS  57           1HD      HIS  57 -11.354  -9.693   3.820
  460    HD2  HIS  57           2HD      HIS  57  -9.849 -11.359   0.309
  461    HE1  HIS  57           1HE      HIS  57 -10.956 -12.147   4.305
  462    H    GLY  58           H        GLY  58  -8.190  -7.170   3.806
  463   1HA   GLY  58          2HA       GLY  58 -10.177  -6.905   5.924
  464   2HA   GLY  58          1HA       GLY  58  -9.032  -8.230   6.135
  465    H    GLY  59           H        GLY  59  -7.878  -5.527   4.389
  466   1HA   GLY  59          2HA       GLY  59  -6.288  -3.880   4.910
  467   2HA   GLY  59          1HA       GLY  59  -6.990  -3.860   6.521
  468    H    GLN  60           H        GLN  60  -5.337  -6.476   4.796
  469    HA   GLN  60           HA       GLN  60  -3.067  -6.328   6.658
  470   1HB   GLN  60          2HB       GLN  60  -5.200  -8.430   6.584
  471   2HB   GLN  60          1HB       GLN  60  -3.558  -8.906   7.012
  472   1HG   GLN  60          2HG       GLN  60  -3.516  -7.253   8.816
  473   2HG   GLN  60          1HG       GLN  60  -5.127  -6.694   8.366
  474   1HE2  GLN  60          1HE2      GLN  60  -6.922  -8.367   8.550
  475   2HE2  GLN  60          2HE2      GLN  60  -6.780  -9.578   9.732
  476    H    VAL  61           H        VAL  61  -1.570  -6.135   4.935
  477    HA   VAL  61           HA       VAL  61  -1.226  -8.537   3.283
  478    HB   VAL  61           HB       VAL  61  -2.094  -5.832   2.372
  479   1HG1  VAL  61          1HG1      VAL  61  -1.182  -6.196   0.140
  480   2HG1  VAL  61          2HG1      VAL  61  -0.467  -7.724   0.648
  481   3HG1  VAL  61          3HG1      VAL  61   0.141  -6.206   1.307
  482   1HG2  VAL  61          1HG2      VAL  61  -2.910  -7.805   0.601
  483   2HG2  VAL  61          2HG2      VAL  61  -3.862  -7.182   1.949
  484   3HG2  VAL  61          3HG2      VAL  61  -2.891  -8.639   2.153
  485    H    ASN  62           H        ASN  62   0.918  -8.747   2.437
  486    HA   ASN  62           HA       ASN  62   2.968  -7.242   3.908
  487   1HB   ASN  62          2HB       ASN  62   2.656  -9.720   2.389
  488   2HB   ASN  62          1HB       ASN  62   4.168  -8.897   2.004
  489   1HD2  ASN  62          1HD2      ASN  62   2.662 -10.942   4.295
  490   2HD2  ASN  62          2HD2      ASN  62   3.823 -10.808   5.527
  491    H    LEU  63           H        LEU  63   3.274  -5.174   3.089
  492    HA   LEU  63           HA       LEU  63   3.931  -4.942   0.219
  493   1HB   LEU  63          2HB       LEU  63   1.885  -3.962   0.086
  494   2HB   LEU  63          1HB       LEU  63   1.800  -3.700   1.824
  495    HG   LEU  63           HG       LEU  63   3.639  -2.052   0.088
  496   1HD1  LEU  63          1HD1      LEU  63   1.484  -0.426   0.585
  497   2HD1  LEU  63          2HD1      LEU  63   0.692  -1.972   0.277
  498   3HD1  LEU  63          3HD1      LEU  63   1.760  -1.272  -0.939
  499   1HD2  LEU  63          1HD2      LEU  63   2.693  -0.506   2.138
  500   2HD2  LEU  63          2HD2      LEU  63   4.179  -1.450   2.220
  501   3HD2  LEU  63          3HD2      LEU  63   2.681  -2.103   2.880
  502    H    ASP  64           H        ASP  64   5.619  -3.480  -0.228
  503    HA   ASP  64           HA       ASP  64   7.068  -2.455   2.134
  504   1HB   ASP  64          2HB       ASP  64   7.989  -4.075   0.312
  505   2HB   ASP  64          1HB       ASP  64   8.104  -2.625  -0.686
  506    H    MET  65           H        MET  65   8.219  -0.302   1.742
  507    HA   MET  65           HA       MET  65   6.353   1.566   0.339
  508   1HB   MET  65          2HB       MET  65   7.885   1.517   2.820
  509   2HB   MET  65          1HB       MET  65   8.193   2.992   1.901
  510   1HG   MET  65          2HG       MET  65   6.217   3.807   2.595
  511   2HG   MET  65          1HG       MET  65   5.402   2.492   1.748
  512   1HE   MET  65          1HE       MET  65   3.351   2.434   3.699
  513   2HE   MET  65          2HE       MET  65   4.249   3.925   3.967
  514   3HE   MET  65          3HE       MET  65   3.841   2.893   5.335
  515    H    GLU  66           H        GLU  66   7.446   3.449  -0.765
  516    HA   GLU  66           HA       GLU  66  10.191   2.902  -1.692
  517   1HB   GLU  66          2HB       GLU  66   7.852   3.454  -3.528
  518   2HB   GLU  66          1HB       GLU  66   9.496   3.038  -4.011
  519   1HG   GLU  66          2HG       GLU  66   7.672   1.236  -2.390
  520   2HG   GLU  66          1HG       GLU  66   7.942   1.087  -4.127
  521    H    ASP  67           H        ASP  67  11.238   4.787  -1.209
  522    HA   ASP  67           HA       ASP  67   9.828   7.326  -1.050
  523   1HB   ASP  67          2HB       ASP  67  12.133   6.113   0.009
  524   2HB   ASP  67          1HB       ASP  67  12.722   7.457  -0.971
  525    H    HIS  68           H        HIS  68   9.428   8.489  -2.897
  526    HA   HIS  68           HA       HIS  68  11.609   8.791  -4.891
  527   1HB   HIS  68          2HB       HIS  68   8.859   7.626  -5.325
  528   2HB   HIS  68          1HB       HIS  68   9.753   8.363  -6.654
  529    HD1  HIS  68           1HD      HIS  68  12.091   7.255  -7.266
  530    HD2  HIS  68           2HD      HIS  68   9.768   5.077  -4.576
  531    HE1  HIS  68           1HE      HIS  68  13.088   4.929  -7.178
  532    H    ARG  69           H        ARG  69  10.991  10.799  -3.208
  533    HA   ARG  69           HA       ARG  69   8.818  12.477  -4.106
  534   1HB   ARG  69          2HB       ARG  69  11.165  13.592  -2.651
  535   2HB   ARG  69          1HB       ARG  69   9.448  13.810  -2.327
  536   1HG   ARG  69          2HG       ARG  69  11.209  11.473  -1.598
  537   2HG   ARG  69          1HG       ARG  69  10.233  12.477  -0.532
  538   1HD   ARG  69          2HD       ARG  69   9.408  10.170  -2.244
  539   2HD   ARG  69          1HD       ARG  69   8.791  10.679  -0.666
  540    HE   ARG  69           HE       ARG  69   7.749  11.542  -3.228
  541   1HH1  ARG  69          1HH1      ARG  69   6.849  11.507  -0.134
  542   2HH1  ARG  69          2HH1      ARG  69   6.314  13.150  -0.014
  543   1HH2  ARG  69          1HH2      ARG  69   7.743  14.114  -3.023
  544   2HH2  ARG  69          2HH2      ARG  69   6.826  14.625  -1.645
  545    H    ASP  70           H        ASP  70  12.310  12.374  -4.691
  546    HA   ASP  70           HA       ASP  70  12.612  14.769  -6.168
  547   1HB   ASP  70          2HB       ASP  70  13.859  12.022  -6.554
  548   2HB   ASP  70          1HB       ASP  70  14.514  13.525  -7.206
  549    H    GLU  71           H        GLU  71  10.863  11.889  -6.858
  550    HA   GLU  71           HA       GLU  71  10.284  12.875  -9.627
  551   1HB   GLU  71          2HB       GLU  71  10.469  10.614 -10.416
  552   2HB   GLU  71          1HB       GLU  71  11.887  10.894  -9.406
  553   1HG   GLU  71          2HG       GLU  71  11.294   9.178  -8.087
  554   2HG   GLU  71          1HG       GLU  71   9.777   9.995  -7.707
  555    H    ASP  72           H        ASP  72   8.583  13.691  -7.718
  556    HA   ASP  72           HA       ASP  72   6.548  11.799  -6.970
  557   1HB   ASP  72          2HB       ASP  72   6.897  14.788  -6.971
  558   2HB   ASP  72          1HB       ASP  72   5.370  14.064  -6.470
  559    H    PHE  73           H        PHE  73   4.277  11.933  -7.723
  560    HA   PHE  73           HA       PHE  73   3.961  11.745 -10.528
  561   1HB   PHE  73          2HB       PHE  73   2.541  10.812  -8.649
  562   2HB   PHE  73          1HB       PHE  73   1.857  12.425  -8.455
  563    HD1  PHE  73           1HD      PHE  73   1.115  13.539 -10.804
  564    HD2  PHE  73           2HD      PHE  73   1.369   9.328 -10.000
  565    HE1  PHE  73           1HE      PHE  73  -0.469  13.089 -12.660
  566    HE2  PHE  73           2HE      PHE  73  -0.214   8.879 -11.855
  567    HZ   PHE  73           HZ       PHE  73  -1.134  10.759 -13.185
  568    H    VAL  74           H        VAL  74   3.251  13.239 -12.081
  569    HA   VAL  74           HA       VAL  74   3.579  16.085 -11.423
  570    HB   VAL  74           HB       VAL  74   2.960  14.495 -13.927
  571   1HG1  VAL  74          1HG1      VAL  74   3.191  16.537 -15.191
  572   2HG1  VAL  74          2HG1      VAL  74   3.607  17.450 -13.741
  573   3HG1  VAL  74          3HG1      VAL  74   1.972  16.820 -13.950
  574   1HG2  VAL  74          1HG2      VAL  74   5.218  14.154 -13.284
  575   2HG2  VAL  74          2HG2      VAL  74   5.408  15.828 -12.759
  576   3HG2  VAL  74          3HG2      VAL  74   5.300  15.450 -14.478
  577    H    LYS  75           H        LYS  75   1.911  17.526 -11.118
  578    HA   LYS  75           HA       LYS  75  -0.303  18.259 -10.726
  579   1HB   LYS  75          2HB       LYS  75   0.115  17.254 -13.393
  580   2HB   LYS  75          1HB       LYS  75  -1.564  16.984 -12.920
  581   1HG   LYS  75          2HG       LYS  75  -0.513  19.624 -12.151
  582   2HG   LYS  75          1HG       LYS  75  -0.578  19.359 -13.894
  583   1HD   LYS  75          2HD       LYS  75  -2.874  19.026 -11.943
  584   2HD   LYS  75          1HD       LYS  75  -2.701  20.306 -13.143
  585   1HE   LYS  75          2HE       LYS  75  -2.507  18.278 -14.836
  586   2HE   LYS  75          1HE       LYS  75  -3.377  17.410 -13.556
  587   1HZ   LYS  75          1HZ       LYS  75  -4.776  19.592 -13.506
  588   2HZ   LYS  75          2HZ       LYS  75  -5.113  18.391 -14.660
  589   3HZ   LYS  75          3HZ       LYS  75  -4.218  19.765 -15.099
  590    HA   PRO  76           HA       PRO  76  -1.750  14.464  -8.709
  591   1HB   PRO  76          2HB       PRO  76  -2.914  15.769  -6.603
  592   2HB   PRO  76          1HB       PRO  76  -1.179  15.399  -6.670
  593   1HG   PRO  76          2HG       PRO  76  -2.590  17.957  -7.228
  594   2HG   PRO  76          1HG       PRO  76  -1.040  17.675  -6.421
  595   1HD   PRO  76          2HD       PRO  76  -1.266  18.518  -9.007
  596   2HD   PRO  76          1HD       PRO  76   0.118  17.590  -8.391
  Start of MODEL    4
    1    H    GLU   1           1HT      GLU   1  -6.813 -18.052 -22.546
    2    HA   GLU   1           HA       GLU   1  -5.488 -18.147 -25.178
    3   1HB   GLU   1          2HB       GLU   1  -7.776 -17.427 -25.616
    4   2HB   GLU   1          1HB       GLU   1  -7.719 -16.311 -24.250
    5   1HG   GLU   1          2HG       GLU   1  -5.508 -15.906 -26.124
    6   2HG   GLU   1          1HG       GLU   1  -7.087 -15.675 -26.875
    7    H    ARG   2           H        ARG   2  -4.913 -17.946 -22.133
    8    HA   ARG   2           HA       ARG   2  -2.798 -15.996 -22.305
    9   1HB   ARG   2          2HB       ARG   2  -3.789 -14.258 -20.904
   10   2HB   ARG   2          1HB       ARG   2  -4.847 -14.547 -22.286
   11   1HG   ARG   2          2HG       ARG   2  -6.478 -14.764 -20.716
   12   2HG   ARG   2          1HG       ARG   2  -5.800 -16.374 -20.479
   13   1HD   ARG   2          2HD       ARG   2  -4.428 -15.604 -18.635
   14   2HD   ARG   2          1HD       ARG   2  -4.878 -13.916 -18.949
   15    HE   ARG   2           HE       ARG   2  -6.533 -15.874 -17.579
   16   1HH1  ARG   2          1HH2      ARG   2  -8.234 -15.196 -19.910
   17   2HH1  ARG   2          2HH2      ARG   2  -9.064 -13.772 -19.375
   18   1HH2  ARG   2          1HH1      ARG   2  -6.860 -13.142 -16.773
   19   2HH2  ARG   2          2HH1      ARG   2  -8.286 -12.610 -17.601
   20    H    ARG   3           H        ARG   3  -1.721 -15.728 -20.134
   21    HA   ARG   3           HA       ARG   3  -2.114 -18.185 -18.489
   22   1HB   ARG   3          2HB       ARG   3   0.082 -17.182 -19.658
   23   2HB   ARG   3          1HB       ARG   3   0.169 -16.290 -18.138
   24   1HG   ARG   3          2HG       ARG   3   0.680 -18.148 -16.932
   25   2HG   ARG   3          1HG       ARG   3  -0.452 -19.158 -17.833
   26   1HD   ARG   3          2HD       ARG   3   1.305 -20.035 -18.960
   27   2HD   ARG   3          1HD       ARG   3   1.632 -18.429 -19.640
   28    HE   ARG   3           HE       ARG   3   2.895 -19.557 -17.201
   29   1HH1  ARG   3          1HH2      ARG   3   2.063 -16.545 -17.236
   30   2HH1  ARG   3          2HH2      ARG   3   3.578 -15.825 -17.663
   31   1HH2  ARG   3          1HH1      ARG   3   5.008 -18.814 -18.687
   32   2HH2  ARG   3          2HH1      ARG   3   5.248 -17.110 -18.486
   33    H    ARG   4           H        ARG   4  -2.949 -18.002 -16.442
   34    HA   ARG   4           HA       ARG   4  -3.068 -15.264 -15.215
   35   1HB   ARG   4          2HB       ARG   4  -5.185 -16.486 -16.145
   36   2HB   ARG   4          1HB       ARG   4  -5.036 -17.488 -14.702
   37   1HG   ARG   4          2HG       ARG   4  -4.745 -14.656 -14.081
   38   2HG   ARG   4          1HG       ARG   4  -6.295 -15.004 -14.849
   39   1HD   ARG   4          2HD       ARG   4  -5.310 -16.787 -12.629
   40   2HD   ARG   4          1HD       ARG   4  -6.113 -15.252 -12.245
   41    HE   ARG   4           HE       ARG   4  -7.785 -16.323 -14.136
   42   1HH1  ARG   4          1HH2      ARG   4  -8.300 -16.260 -11.097
   43   2HH1  ARG   4          2HH2      ARG   4  -8.724 -17.915 -10.813
   44   1HH2  ARG   4          1HH1      ARG   4  -7.485 -19.029 -13.855
   45   2HH2  ARG   4          2HH1      ARG   4  -8.262 -19.483 -12.375
   46    H    HIS   5           H        HIS   5  -3.215 -15.372 -12.774
   47    HA   HIS   5           HA       HIS   5  -2.390 -17.814 -11.407
   48   1HB   HIS   5          2HB       HIS   5  -0.126 -17.086 -10.888
   49   2HB   HIS   5          1HB       HIS   5  -0.337 -17.029 -12.639
   50    HD1  HIS   5           1HD      HIS   5   1.792 -15.224 -11.403
   51    HD2  HIS   5           2HD      HIS   5  -2.153 -14.005 -11.973
   52    HE1  HIS   5           1HE      HIS   5   1.826 -12.693 -11.465
   53    H    SER   6           H        SER   6  -1.758 -17.193  -9.036
   54    HA   SER   6           HA       SER   6  -3.486 -14.893  -8.187
   55   1HB   SER   6          2HB       SER   6  -2.830 -17.605  -7.035
   56   2HB   SER   6          1HB       SER   6  -3.510 -16.332  -6.024
   57    HG   SER   6           HG       SER   6  -4.697 -17.899  -7.905
   58    H    GLY   7           H        GLY   7  -0.367 -16.508  -7.745
   59   1HA   GLY   7          2HA       GLY   7   1.653 -15.346  -7.147
   60   2HA   GLY   7          1HA       GLY   7   0.675 -14.029  -6.502
   61    H    GLN   8           H        GLN   8   2.847 -15.939  -5.354
   62    HA   GLN   8           HA       GLN   8   1.558 -17.455  -3.252
   63   1HB   GLN   8          2HB       GLN   8   3.851 -17.728  -2.477
   64   2HB   GLN   8          1HB       GLN   8   3.846 -17.809  -4.239
   65   1HG   GLN   8          2HG       GLN   8   5.506 -16.255  -4.064
   66   2HG   GLN   8          1HG       GLN   8   4.164 -15.130  -3.864
   67   1HE2  GLN   8          1HE2      GLN   8   5.720 -17.518  -1.639
   68   2HE2  GLN   8          2HE2      GLN   8   5.967 -16.403  -0.385
   69    H    ASP   9           H        ASP   9   0.755 -16.683  -1.337
   70    HA   ASP   9           HA       ASP   9   0.289 -15.189   0.435
   71   1HB   ASP   9          2HB       ASP   9   3.053 -14.203  -0.347
   72   2HB   ASP   9          1HB       ASP   9   2.264 -13.947   1.210
   73    H    VAL  10           H        VAL  10  -0.327 -12.930   0.812
   74    HA   VAL  10           HA       VAL  10  -0.884 -11.485  -1.687
   75    HB   VAL  10           HB       VAL  10  -1.745 -10.825   1.128
   76   1HG1  VAL  10          1HG1      VAL  10  -3.689  -9.873  -0.030
   77   2HG1  VAL  10          2HG1      VAL  10  -3.057 -10.432  -1.580
   78   3HG1  VAL  10          3HG1      VAL  10  -2.203  -9.181  -0.679
   79   1HG2  VAL  10          1HG2      VAL  10  -2.885 -12.862  -0.805
   80   2HG2  VAL  10          2HG2      VAL  10  -3.762 -12.248   0.596
   81   3HG2  VAL  10          3HG2      VAL  10  -2.273 -13.165   0.820
   82    H    HIS  11           H        HIS  11   1.105 -10.425  -2.186
   83    HA   HIS  11           HA       HIS  11   1.931  -8.338  -0.225
   84   1HB   HIS  11          2HB       HIS  11   4.279  -8.824  -0.833
   85   2HB   HIS  11          1HB       HIS  11   3.483 -10.259  -0.183
   86    HD1  HIS  11           1HD      HIS  11   5.745 -11.006  -1.928
   87    HD2  HIS  11           2HD      HIS  11   2.009 -10.077  -3.497
   88    HE1  HIS  11           1HE      HIS  11   5.664 -12.064  -4.232
   89    H    VAL  12           H        VAL  12   2.800  -6.383  -1.189
   90    HA   VAL  12           HA       VAL  12   2.830  -6.139  -4.125
   91    HB   VAL  12           HB       VAL  12   0.541  -5.431  -2.408
   92   1HG1  VAL  12          1HG1      VAL  12  -0.017  -3.419  -3.821
   93   2HG1  VAL  12          2HG1      VAL  12   1.636  -3.464  -4.437
   94   3HG1  VAL  12          3HG1      VAL  12   1.340  -3.170  -2.722
   95   1HG2  VAL  12          1HG2      VAL  12   0.444  -7.017  -4.312
   96   2HG2  VAL  12          2HG2      VAL  12   0.893  -5.714  -5.409
   97   3HG2  VAL  12          3HG2      VAL  12  -0.647  -5.654  -4.553
   98    H    VAL  13           H        VAL  13   3.505  -3.939  -4.789
   99    HA   VAL  13           HA       VAL  13   5.338  -2.728  -2.802
  100    HB   VAL  13           HB       VAL  13   4.887  -1.976  -5.699
  101   1HG1  VAL  13          1HG1      VAL  13   6.348  -0.528  -4.301
  102   2HG1  VAL  13          2HG1      VAL  13   7.254  -1.343  -5.578
  103   3HG1  VAL  13          3HG1      VAL  13   7.344  -1.933  -3.918
  104   1HG2  VAL  13          1HG2      VAL  13   6.518  -4.259  -4.544
  105   2HG2  VAL  13          2HG2      VAL  13   6.694  -3.661  -6.193
  106   3HG2  VAL  13          3HG2      VAL  13   5.172  -4.385  -5.678
  107    H    LEU  14           H        LEU  14   5.294  -0.394  -2.423
  108    HA   LEU  14           HA       LEU  14   2.796   1.031  -3.204
  109   1HB   LEU  14          2HB       LEU  14   3.339  -0.225  -0.686
  110   2HB   LEU  14          1HB       LEU  14   3.326   1.522  -0.438
  111    HG   LEU  14           HG       LEU  14   1.179   0.387  -2.157
  112   1HD1  LEU  14          1HD1      LEU  14   1.435  -0.084   0.809
  113   2HD1  LEU  14          2HD1      LEU  14   0.988  -1.235  -0.445
  114   3HD1  LEU  14          3HD1      LEU  14  -0.146   0.023   0.041
  115   1HD2  LEU  14          1HD2      LEU  14   1.648   2.674  -0.294
  116   2HD2  LEU  14          2HD2      LEU  14  -0.011   2.105  -0.482
  117   3HD2  LEU  14          3HD2      LEU  14   0.897   2.661  -1.889
  118    H    LYS  15           H        LYS  15   3.338   3.135  -3.762
  119    HA   LYS  15           HA       LYS  15   5.940   4.169  -2.805
  120   1HB   LYS  15          2HB       LYS  15   6.135   3.911  -5.105
  121   2HB   LYS  15          1HB       LYS  15   4.415   4.207  -5.374
  122   1HG   LYS  15          2HG       LYS  15   4.664   6.473  -5.388
  123   2HG   LYS  15          1HG       LYS  15   5.990   6.438  -4.230
  124   1HD   LYS  15          2HD       LYS  15   6.525   7.056  -6.709
  125   2HD   LYS  15          1HD       LYS  15   7.587   5.928  -5.868
  126   1HE   LYS  15          2HE       LYS  15   6.578   4.031  -6.941
  127   2HE   LYS  15          1HE       LYS  15   5.248   5.020  -7.577
  128   1HZ   LYS  15          1HZ       LYS  15   6.568   5.265  -9.358
  129   2HZ   LYS  15          2HZ       LYS  15   7.966   4.768  -8.528
  130   3HZ   LYS  15          3HZ       LYS  15   7.425   6.374  -8.402
  131    H    LEU  16           H        LEU  16   5.998   6.409  -2.137
  132    HA   LEU  16           HA       LEU  16   3.274   7.636  -1.751
  133   1HB   LEU  16          2HB       LEU  16   4.844   6.652   0.192
  134   2HB   LEU  16          1HB       LEU  16   5.545   8.267   0.077
  135    HG   LEU  16           HG       LEU  16   2.628   8.332   0.022
  136   1HD1  LEU  16          1HD1      LEU  16   4.039   6.796   2.160
  137   2HD1  LEU  16          2HD1      LEU  16   2.418   6.574   1.503
  138   3HD1  LEU  16          3HD1      LEU  16   2.735   7.875   2.651
  139   1HD2  LEU  16          1HD2      LEU  16   3.542  10.380   0.529
  140   2HD2  LEU  16          2HD2      LEU  16   4.925   9.672   1.364
  141   3HD2  LEU  16          3HD2      LEU  16   3.361   9.770   2.173
  142    H    TRP  17           H        TRP  17   3.177   9.298  -3.226
  143    HA   TRP  17           HA       TRP  17   5.565  10.815  -4.021
  144   1HB   TRP  17          2HB       TRP  17   2.646  11.387  -4.620
  145   2HB   TRP  17          1HB       TRP  17   4.050  11.771  -5.610
  146    HD1  TRP  17           HD       TRP  17   1.775   8.881  -4.632
  147    HE1  TRP  17           1HE      TRP  17   2.204   6.924  -6.210
  148    HE3  TRP  17           3HE      TRP  17   5.795  10.602  -7.187
  149    HZ2  TRP  17           2HZ      TRP  17   3.962   6.149  -8.288
  150    HZ3  TRP  17           3HZ      TRP  17   6.845   9.249  -8.978
  151    HH2  TRP  17           HH       TRP  17   5.924   7.010  -9.530
  152    H    LYS  18           H        LYS  18   5.350  13.302  -3.933
  153    HA   LYS  18           HA       LYS  18   5.569  14.395  -1.455
  154   1HB   LYS  18          2HB       LYS  18   5.318  15.289  -4.058
  155   2HB   LYS  18          1HB       LYS  18   3.997  16.116  -3.229
  156   1HG   LYS  18          2HG       LYS  18   6.799  16.048  -2.099
  157   2HG   LYS  18          1HG       LYS  18   6.275  17.302  -3.223
  158   1HD   LYS  18          2HD       LYS  18   5.278  18.409  -1.539
  159   2HD   LYS  18          1HD       LYS  18   4.258  17.006  -1.216
  160   1HE   LYS  18          2HE       LYS  18   6.921  16.489  -0.223
  161   2HE   LYS  18          1HE       LYS  18   6.318  18.021   0.442
  162   1HZ   LYS  18          1HZ       LYS  18   5.447  16.321   1.815
  163   2HZ   LYS  18          2HZ       LYS  18   4.979  15.372   0.485
  164   3HZ   LYS  18          3HZ       LYS  18   4.162  16.823   0.828
  165    H    THR  19           H        THR  19   2.389  14.270  -3.147
  166    HA   THR  19           HA       THR  19   1.117  14.407  -0.432
  167    HB   THR  19           HB       THR  19   0.986  16.604  -1.409
  168    HG1  THR  19           1HG      THR  19  -1.380  16.508  -2.099
  169   1HG2  THR  19          1HG2      THR  19   0.211  16.993  -3.687
  170   2HG2  THR  19          2HG2      THR  19  -0.076  15.267  -3.911
  171   3HG2  THR  19          3HG2      THR  19   1.569  15.868  -3.719
  172    H    GLY  20           H        GLY  20   1.649  12.327  -2.708
  173   1HA   GLY  20          2HA       GLY  20  -0.980  11.069  -2.477
  174   2HA   GLY  20          1HA       GLY  20  -0.453  11.404  -4.119
  175    H    PHE  21           H        PHE  21  -0.872   8.796  -2.910
  176    HA   PHE  21           HA       PHE  21   1.931   7.737  -3.143
  177   1HB   PHE  21          2HB       PHE  21   0.738   5.858  -1.640
  178   2HB   PHE  21          1HB       PHE  21   1.477   7.286  -0.923
  179    HD1  PHE  21           1HD      PHE  21   0.189   8.220   0.770
  180    HD2  PHE  21           2HD      PHE  21  -1.793   6.556  -2.643
  181    HE1  PHE  21           1HE      PHE  21  -1.990   8.887   1.709
  182    HE2  PHE  21           2HE      PHE  21  -3.969   7.223  -1.703
  183    HZ   PHE  21           HZ       PHE  21  -4.051   8.382   0.464
  184    H    SER  22           H        SER  22   2.121   5.727  -4.333
  185    HA   SER  22           HA       SER  22  -0.278   5.147  -6.023
  186   1HB   SER  22          2HB       SER  22   1.596   5.753  -7.351
  187   2HB   SER  22          1HB       SER  22   2.694   4.778  -6.383
  188    HG   SER  22           HG       SER  22   2.303   3.471  -8.035
  189    H    LEU  23           H        LEU  23  -0.295   2.808  -6.774
  190    HA   LEU  23           HA       LEU  23   0.523   0.871  -4.667
  191   1HB   LEU  23          2HB       LEU  23  -1.917   2.063  -4.649
  192   2HB   LEU  23          1HB       LEU  23  -2.237   0.660  -5.655
  193    HG   LEU  23           HG       LEU  23  -2.671  -0.055  -3.432
  194   1HD1  LEU  23          1HD1      LEU  23  -1.329  -1.926  -3.371
  195   2HD1  LEU  23          2HD1      LEU  23   0.153  -0.995  -3.595
  196   3HD1  LEU  23          3HD1      LEU  23  -0.889  -1.341  -4.976
  197   1HD2  LEU  23          1HD2      LEU  23  -1.746   1.581  -2.042
  198   2HD2  LEU  23          2HD2      LEU  23  -0.174   1.499  -2.834
  199   3HD2  LEU  23          3HD2      LEU  23  -0.682   0.206  -1.748
  200    H    ASP  24           H        ASP  24   1.878  -0.240  -6.154
  201    HA   ASP  24           HA       ASP  24   2.315  -1.859  -7.827
  202   1HB   ASP  24          2HB       ASP  24  -0.009  -2.542  -6.775
  203   2HB   ASP  24          1HB       ASP  24  -0.646  -1.993  -8.325
  204    H    ASN  25           H        ASN  25   0.289  -2.082 -10.125
  205    HA   ASN  25           HA       ASN  25   1.466   0.051 -11.776
  206   1HB   ASN  25          2HB       ASN  25   0.402  -2.573 -12.070
  207   2HB   ASN  25          1HB       ASN  25  -0.520  -1.492 -13.114
  208   1HD2  ASN  25          1HD2      ASN  25   0.402  -1.277 -15.151
  209   2HD2  ASN  25          2HD2      ASN  25   2.064  -1.372 -15.487
  210    H    GLY  26           H        GLY  26  -1.378  -0.378  -9.919
  211   1HA   GLY  26          2HA       GLY  26  -3.378   0.905 -11.411
  212   2HA   GLY  26          1HA       GLY  26  -3.254   1.015  -9.655
  213    H    ASP  27           H        ASP  27  -4.144   3.184 -11.211
  214    HA   ASP  27           HA       ASP  27  -2.126   5.067 -11.916
  215   1HB   ASP  27          2HB       ASP  27  -4.892   5.625 -10.820
  216   2HB   ASP  27          1HB       ASP  27  -3.979   6.603 -11.969
  217    H    LEU  28           H        LEU  28  -2.226   7.323 -10.587
  218    HA   LEU  28           HA       LEU  28  -1.017   6.762  -7.997
  219   1HB   LEU  28          2HB       LEU  28  -0.043   8.478  -9.260
  220   2HB   LEU  28          1HB       LEU  28  -1.607   9.148  -9.682
  221    HG   LEU  28           HG       LEU  28  -1.911   9.662  -7.193
  222   1HD1  LEU  28          1HD1      LEU  28   1.094   9.482  -7.094
  223   2HD1  LEU  28          2HD1      LEU  28   0.105   8.078  -6.685
  224   3HD1  LEU  28          3HD1      LEU  28  -0.055   9.570  -5.758
  225   1HD2  LEU  28          1HD2      LEU  28  -0.180  11.616  -7.384
  226   2HD2  LEU  28          2HD2      LEU  28  -1.508  11.541  -8.541
  227   3HD2  LEU  28          3HD2      LEU  28   0.100  10.981  -9.005
  228    H    ARG  29           H        ARG  29  -1.880   7.353  -5.944
  229    HA   ARG  29           HA       ARG  29  -4.831   7.852  -5.938
  230   1HB   ARG  29          2HB       ARG  29  -2.875   6.365  -4.229
  231   2HB   ARG  29          1HB       ARG  29  -4.342   6.989  -3.475
  232   1HG   ARG  29          2HG       ARG  29  -4.178   5.122  -5.855
  233   2HG   ARG  29          1HG       ARG  29  -4.793   4.740  -4.248
  234   1HD   ARG  29          2HD       ARG  29  -6.428   6.769  -4.722
  235   2HD   ARG  29          1HD       ARG  29  -6.069   6.375  -6.414
  236    HE   ARG  29           HE       ARG  29  -6.768   4.104  -4.648
  237   1HH1  ARG  29          1HH2      ARG  29  -8.627   6.537  -5.854
  238   2HH1  ARG  29          2HH2      ARG  29  -9.557   5.567  -6.947
  239   1HH2  ARG  29          1HH1      ARG  29  -7.549   2.763  -6.587
  240   2HH2  ARG  29          2HH1      ARG  29  -8.947   3.430  -7.361
  241    H    SER  30           H        SER  30  -5.633   9.622  -4.788
  242    HA   SER  30           HA       SER  30  -3.669  11.674  -3.969
  243   1HB   SER  30          2HB       SER  30  -6.588  11.477  -4.592
  244   2HB   SER  30          1HB       SER  30  -6.054  12.817  -3.584
  245    HG   SER  30           HG       SER  30  -5.393  12.178  -6.241
  246    H    TYR  31           H        TYR  31  -3.088  11.938  -1.862
  247    HA   TYR  31           HA       TYR  31  -3.707  10.334   0.300
  248   1HB   TYR  31          2HB       TYR  31  -2.599  12.965  -0.215
  249   2HB   TYR  31          1HB       TYR  31  -3.441  12.934   1.333
  250    HD1  TYR  31           1HD      TYR  31  -2.654  11.579   3.173
  251    HD2  TYR  31           2HD      TYR  31  -0.710  11.421  -0.654
  252    HE1  TYR  31           1HE      TYR  31  -0.753  10.353   4.189
  253    HE2  TYR  31           2HE      TYR  31   1.192  10.192   0.363
  254    HH   TYR  31           HH       TYR  31   1.090   8.640   3.159
  255    H    GLN  32           H        GLN  32  -5.796  12.775  -1.096
  256    HA   GLN  32           HA       GLN  32  -7.527  12.912   1.249
  257   1HB   GLN  32          2HB       GLN  32  -8.563  14.665   0.051
  258   2HB   GLN  32          1HB       GLN  32  -6.871  14.761  -0.426
  259   1HG   GLN  32          2HG       GLN  32  -7.396  13.391  -2.440
  260   2HG   GLN  32          1HG       GLN  32  -9.099  13.415  -1.980
  261   1HE2  GLN  32          1HE2      GLN  32  -6.633  16.044  -1.891
  262   2HE2  GLN  32          2HE2      GLN  32  -7.514  17.105  -2.880
  263    H    ASP  33           H        ASP  33  -7.689  11.588  -2.043
  264    HA   ASP  33           HA       ASP  33 -10.309  10.796  -2.320
  265   1HB   ASP  33          2HB       ASP  33  -9.463   9.166  -3.811
  266   2HB   ASP  33          1HB       ASP  33  -8.177  10.368  -3.735
  267    HA   PRO  34           HA       PRO  34 -11.377   7.872   0.782
  268   1HB   PRO  34          2HB       PRO  34 -12.751   5.969  -0.627
  269   2HB   PRO  34          1HB       PRO  34 -13.406   7.586  -0.297
  270   1HG   PRO  34          2HG       PRO  34 -12.149   6.522  -2.777
  271   2HG   PRO  34          1HG       PRO  34 -13.534   7.611  -2.590
  272   1HD   PRO  34          2HD       PRO  34 -11.035   8.466  -3.260
  273   2HD   PRO  34          1HD       PRO  34 -12.212   9.471  -2.386
  274    H    SER  35           H        SER  35  -9.978   6.404  -2.156
  275    HA   SER  35           HA       SER  35  -9.281   3.860  -1.299
  276   1HB   SER  35          2HB       SER  35  -7.281   5.685  -2.632
  277   2HB   SER  35          1HB       SER  35  -7.604   3.984  -2.963
  278    HG   SER  35           HG       SER  35  -9.858   5.020  -3.424
  279    H    ASN  36           H        ASN  36  -8.033   6.928  -0.166
  280    HA   ASN  36           HA       ASN  36  -5.649   6.042   1.114
  281   1HB   ASN  36          2HB       ASN  36  -7.510   8.245   2.025
  282   2HB   ASN  36          1HB       ASN  36  -5.752   8.183   2.185
  283   1HD2  ASN  36          1HD2      ASN  36  -5.436   7.083  -0.603
  284   2HD2  ASN  36          2HD2      ASN  36  -5.699   8.404  -1.634
  285    H    ALA  37           H        ALA  37  -8.866   5.229   1.781
  286    HA   ALA  37           HA       ALA  37  -8.917   5.182   4.630
  287   1HB   ALA  37          1HB       ALA  37 -10.737   4.849   2.774
  288   2HB   ALA  37          2HB       ALA  37 -10.893   3.940   4.279
  289   3HB   ALA  37          3HB       ALA  37 -10.247   3.153   2.840
  290    H    GLN  38           H        GLN  38  -8.443   2.442   2.377
  291    HA   GLN  38           HA       GLN  38  -7.128   0.860   4.497
  292   1HB   GLN  38          2HB       GLN  38  -8.713   0.212   2.418
  293   2HB   GLN  38          1HB       GLN  38  -7.147   0.039   1.624
  294   1HG   GLN  38          2HG       GLN  38  -7.409  -2.099   2.517
  295   2HG   GLN  38          1HG       GLN  38  -6.535  -1.306   3.826
  296   1HE2  GLN  38          1HE2      GLN  38  -8.852  -3.471   3.624
  297   2HE2  GLN  38          2HE2      GLN  38  -9.934  -2.949   4.823
  298    H    PHE  39           H        PHE  39  -6.253   3.064   2.012
  299    HA   PHE  39           HA       PHE  39  -3.561   2.085   1.499
  300   1HB   PHE  39          2HB       PHE  39  -5.204   3.646   0.159
  301   2HB   PHE  39          1HB       PHE  39  -4.499   4.917   1.153
  302    HD1  PHE  39           1HD      PHE  39  -4.255   3.550  -1.968
  303    HD2  PHE  39           2HD      PHE  39  -1.745   4.426   1.412
  304    HE1  PHE  39           1HE      PHE  39  -2.281   3.648  -3.458
  305    HE2  PHE  39           2HE      PHE  39   0.230   4.517  -0.084
  306    HZ   PHE  39           HZ       PHE  39  -0.040   4.126  -2.518
  307    H    LEU  40           H        LEU  40  -4.767   4.984   3.196
  308    HA   LEU  40           HA       LEU  40  -2.274   5.591   4.446
  309   1HB   LEU  40          2HB       LEU  40  -4.695   6.753   3.921
  310   2HB   LEU  40          1HB       LEU  40  -4.759   6.508   5.655
  311    HG   LEU  40           HG       LEU  40  -3.071   8.020   6.076
  312   1HD1  LEU  40          1HD1      LEU  40  -1.218   7.034   5.000
  313   2HD1  LEU  40          2HD1      LEU  40  -1.377   8.586   4.179
  314   3HD1  LEU  40          3HD1      LEU  40  -1.981   7.117   3.412
  315   1HD2  LEU  40          1HD2      LEU  40  -3.148   9.688   3.931
  316   2HD2  LEU  40          2HD2      LEU  40  -4.429   9.601   5.140
  317   3HD2  LEU  40          3HD2      LEU  40  -4.582   8.707   3.626
  318    H    GLU  41           H        GLU  41  -5.250   4.046   5.651
  319    HA   GLU  41           HA       GLU  41  -4.363   3.730   8.343
  320   1HB   GLU  41          2HB       GLU  41  -6.362   2.530   8.589
  321   2HB   GLU  41          1HB       GLU  41  -6.701   3.544   7.187
  322   1HG   GLU  41          2HG       GLU  41  -6.078   1.688   5.689
  323   2HG   GLU  41          1HG       GLU  41  -5.732   0.672   7.087
  324    H    SER  42           H        SER  42  -4.309   1.450   5.605
  325    HA   SER  42           HA       SER  42  -3.038  -0.663   7.081
  326   1HB   SER  42          2HB       SER  42  -3.098  -0.163   4.102
  327   2HB   SER  42          1HB       SER  42  -2.939  -1.716   4.909
  328    HG   SER  42           HG       SER  42  -5.065  -0.902   5.932
  329    H    ILE  43           H        ILE  43  -1.818   1.595   4.612
  330    HA   ILE  43           HA       ILE  43   0.870   0.828   4.593
  331    HB   ILE  43           HB       ILE  43  -0.700   3.278   4.098
  332   1HG1  ILE  43          2HG1      ILE  43  -0.022   1.125   2.585
  333   2HG1  ILE  43          1HG1      ILE  43  -0.412   2.705   1.912
  334   1HG2  ILE  43          1HG2      ILE  43   1.464   4.354   3.291
  335   2HG2  ILE  43          2HG2      ILE  43   2.292   3.160   4.288
  336   3HG2  ILE  43          3HG2      ILE  43   1.197   4.325   5.034
  337   1HD1  ILE  43          1HD1      ILE  43   2.403   2.042   2.761
  338   2HD1  ILE  43          2HD1      ILE  43   1.857   3.286   1.636
  339   3HD1  ILE  43          3HD1      ILE  43   1.808   1.589   1.166
  340    H    ARG  44           H        ARG  44  -0.838   2.953   6.838
  341    HA   ARG  44           HA       ARG  44   1.434   3.918   8.269
  342   1HB   ARG  44          2HB       ARG  44  -1.493   3.804   8.503
  343   2HB   ARG  44          1HB       ARG  44  -0.666   3.842  10.060
  344   1HG   ARG  44          2HG       ARG  44   0.287   5.926   9.661
  345   2HG   ARG  44          1HG       ARG  44   0.204   5.741   7.908
  346   1HD   ARG  44          2HD       ARG  44  -1.566   7.217   8.220
  347   2HD   ARG  44          1HD       ARG  44  -2.435   5.686   8.440
  348    HE   ARG  44           HE       ARG  44  -1.802   5.991  10.941
  349   1HH1  ARG  44          1HH1      ARG  44  -3.666   7.985   9.097
  350   2HH1  ARG  44          2HH1      ARG  44  -3.537   9.384  10.110
  351   1HH2  ARG  44          1HH2      ARG  44  -1.028   8.043  12.093
  352   2HH2  ARG  44          2HH2      ARG  44  -2.044   9.417  11.807
  353    H    ARG  45           H        ARG  45  -0.810   1.251   9.001
  354    HA   ARG  45           HA       ARG  45   0.740   0.295  11.245
  355   1HB   ARG  45          2HB       ARG  45  -1.672  -0.480   9.674
  356   2HB   ARG  45          1HB       ARG  45  -0.910  -1.736  10.650
  357   1HG   ARG  45          2HG       ARG  45  -2.619  -0.602  11.979
  358   2HG   ARG  45          1HG       ARG  45  -1.022  -0.222  12.627
  359   1HD   ARG  45          2HD       ARG  45  -1.900   1.652  10.530
  360   2HD   ARG  45          1HD       ARG  45  -2.919   1.670  11.983
  361    HE   ARG  45           HE       ARG  45  -0.015   1.650  12.481
  362   1HH1  ARG  45          1HH2      ARG  45  -2.792   2.806  13.730
  363   2HH1  ARG  45          2HH2      ARG  45  -2.291   4.455  13.904
  364   1HH2  ARG  45          1HH1      ARG  45   0.587   4.060  12.012
  365   2HH2  ARG  45          2HH1      ARG  45  -0.379   5.164  12.932
  366    H    GLY  46           H        GLY  46   0.629  -0.413   7.807
  367   1HA   GLY  46          2HA       GLY  46   2.798  -1.326   6.906
  368   2HA   GLY  46          1HA       GLY  46   2.692  -2.492   8.216
  369    H    GLU  47           H        GLU  47   0.121  -1.332   6.081
  370    HA   GLU  47           HA       GLU  47  -0.079  -4.057   4.877
  371   1HB   GLU  47          2HB       GLU  47  -2.149  -2.498   6.436
  372   2HB   GLU  47          1HB       GLU  47  -2.609  -3.787   5.321
  373   1HG   GLU  47          2HG       GLU  47  -1.854  -5.423   6.706
  374   2HG   GLU  47          1HG       GLU  47  -0.426  -4.500   7.173
  375    H    VAL  48           H        VAL  48  -1.075  -4.039   2.793
  376    HA   VAL  48           HA       VAL  48  -0.982  -1.479   1.395
  377    HB   VAL  48           HB       VAL  48  -1.544  -4.313   0.505
  378   1HG1  VAL  48          1HG1      VAL  48  -2.280  -2.447  -1.045
  379   2HG1  VAL  48          2HG1      VAL  48  -1.082  -3.547  -1.729
  380   3HG1  VAL  48          3HG1      VAL  48  -0.589  -1.958  -1.143
  381   1HG2  VAL  48          1HG2      VAL  48   0.700  -4.681   0.447
  382   2HG2  VAL  48          2HG2      VAL  48   0.781  -3.343   1.593
  383   3HG2  VAL  48          3HG2      VAL  48   1.044  -3.048  -0.125
  384    HA   PRO  49           HA       PRO  49  -5.332  -0.800   1.450
  385   1HB   PRO  49          2HB       PRO  49  -5.581   0.643  -0.862
  386   2HB   PRO  49          1HB       PRO  49  -4.907   1.308   0.636
  387   1HG   PRO  49          2HG       PRO  49  -3.493   0.262  -1.770
  388   2HG   PRO  49          1HG       PRO  49  -3.127   1.682  -0.779
  389   1HD   PRO  49          2HD       PRO  49  -1.764  -0.637  -0.540
  390   2HD   PRO  49          1HD       PRO  49  -2.045   0.452   0.838
  391    H    ALA  50           H        ALA  50  -4.049  -1.731  -1.755
  392    HA   ALA  50           HA       ALA  50  -6.635  -3.075  -2.359
  393   1HB   ALA  50          1HB       ALA  50  -4.690  -1.573  -3.773
  394   2HB   ALA  50          2HB       ALA  50  -6.172  -2.286  -4.414
  395   3HB   ALA  50          3HB       ALA  50  -4.665  -3.200  -4.452
  396    H    GLU  51           H        GLU  51  -3.130  -3.864  -2.492
  397    HA   GLU  51           HA       GLU  51  -3.124  -6.477  -3.295
  398   1HB   GLU  51          2HB       GLU  51  -1.160  -5.211  -2.583
  399   2HB   GLU  51          1HB       GLU  51  -1.699  -5.275  -0.907
  400   1HG   GLU  51          2HG       GLU  51   0.077  -7.003  -1.646
  401   2HG   GLU  51          1HG       GLU  51  -1.315  -7.605  -0.749
  402    H    LEU  52           H        LEU  52  -3.455  -5.724   0.226
  403    HA   LEU  52           HA       LEU  52  -4.306  -8.375   0.899
  404   1HB   LEU  52          2HB       LEU  52  -5.468  -6.914   2.844
  405   2HB   LEU  52          1HB       LEU  52  -3.740  -7.220   2.819
  406    HG   LEU  52           HG       LEU  52  -3.552  -5.047   1.458
  407   1HD1  LEU  52          1HD1      LEU  52  -5.804  -3.762   2.578
  408   2HD1  LEU  52          2HD1      LEU  52  -6.413  -5.235   1.822
  409   3HD1  LEU  52          3HD1      LEU  52  -5.492  -4.068   0.868
  410   1HD2  LEU  52          1HD2      LEU  52  -4.590  -4.189   4.054
  411   2HD2  LEU  52          2HD2      LEU  52  -2.946  -4.104   3.421
  412   3HD2  LEU  52          3HD2      LEU  52  -3.522  -5.587   4.181
  413    H    ARG  53           H        ARG  53  -6.071  -5.540  -0.191
  414    HA   ARG  53           HA       ARG  53  -8.662  -6.504   0.380
  415   1HB   ARG  53          2HB       ARG  53  -7.977  -4.185  -0.343
  416   2HB   ARG  53          1HB       ARG  53  -7.756  -4.818  -1.975
  417   1HG   ARG  53          2HG       ARG  53  -9.945  -4.432  -2.341
  418   2HG   ARG  53          1HG       ARG  53 -10.303  -5.705  -1.172
  419   1HD   ARG  53          2HD       ARG  53  -9.981  -3.870   0.635
  420   2HD   ARG  53          1HD       ARG  53 -10.158  -2.724  -0.709
  421    HE   ARG  53           HE       ARG  53 -12.327  -3.998  -1.233
  422   1HH1  ARG  53          1HH2      ARG  53 -11.183  -5.401   1.512
  423   2HH1  ARG  53          2HH2      ARG  53 -12.535  -5.018   2.523
  424   1HH2  ARG  53          1HH1      ARG  53 -13.967  -2.842   0.236
  425   2HH2  ARG  53          2HH1      ARG  53 -14.111  -3.569   1.801
  426    H    ARG  54           H        ARG  54  -6.388  -7.240  -2.169
  427    HA   ARG  54           HA       ARG  54  -8.216  -8.581  -3.933
  428   1HB   ARG  54          2HB       ARG  54  -5.346  -8.087  -3.607
  429   2HB   ARG  54          1HB       ARG  54  -5.693  -9.662  -4.321
  430   1HG   ARG  54          2HG       ARG  54  -7.163  -7.258  -5.346
  431   2HG   ARG  54          1HG       ARG  54  -5.495  -7.518  -5.859
  432   1HD   ARG  54          2HD       ARG  54  -7.416  -9.827  -5.983
  433   2HD   ARG  54          1HD       ARG  54  -7.462  -8.596  -7.258
  434    HE   ARG  54           HE       ARG  54  -5.459 -10.574  -7.080
  435   1HH1  ARG  54          1HH1      ARG  54  -5.912  -8.236  -9.119
  436   2HH1  ARG  54          2HH1      ARG  54  -4.334  -7.524  -9.096
  437   1HH2  ARG  54          1HH2      ARG  54  -3.331  -9.190  -6.226
  438   2HH2  ARG  54          2HH2      ARG  54  -2.873  -8.063  -7.459
  439    H    LEU  55           H        LEU  55  -5.691  -9.921  -1.791
  440    HA   LEU  55           HA       LEU  55  -7.219 -12.446  -1.686
  441   1HB   LEU  55          2HB       LEU  55  -4.381 -11.603  -1.297
  442   2HB   LEU  55          1HB       LEU  55  -4.928 -13.115  -0.572
  443    HG   LEU  55           HG       LEU  55  -5.121 -12.365  -3.504
  444   1HD1  LEU  55          1HD1      LEU  55  -3.549 -14.264  -3.786
  445   2HD1  LEU  55          2HD1      LEU  55  -3.473 -14.444  -2.033
  446   3HD1  LEU  55          3HD1      LEU  55  -2.851 -12.981  -2.798
  447   1HD2  LEU  55          1HD2      LEU  55  -7.022 -13.701  -3.070
  448   2HD2  LEU  55          2HD2      LEU  55  -6.162 -14.692  -1.890
  449   3HD2  LEU  55          3HD2      LEU  55  -5.811 -14.864  -3.609
  450    H    ALA  56           H        ALA  56  -5.430 -10.327   0.553
  451    HA   ALA  56           HA       ALA  56  -6.146 -11.479   2.994
  452   1HB   ALA  56          1HB       ALA  56  -4.675  -9.423   2.327
  453   2HB   ALA  56          2HB       ALA  56  -5.453  -9.429   3.910
  454   3HB   ALA  56          3HB       ALA  56  -6.154  -8.501   2.586
  455    H    HIS  57           H        HIS  57  -7.861  -8.691   1.580
  456    HA   HIS  57           HA       HIS  57 -10.182  -8.175   1.584
  457   1HB   HIS  57          2HB       HIS  57 -10.041 -10.828   1.263
  458   2HB   HIS  57          1HB       HIS  57 -10.769 -10.802   2.869
  459    HD1  HIS  57           1HD      HIS  57 -12.996  -9.211   3.052
  460    HD2  HIS  57           2HD      HIS  57 -11.869 -10.409  -0.778
  461    HE1  HIS  57           1HE      HIS  57 -15.015  -8.849   1.564
  462    H    GLY  58           H        GLY  58  -9.077  -6.880   3.526
  463   1HA   GLY  58          2HA       GLY  58 -10.850  -6.494   5.591
  464   2HA   GLY  58          1HA       GLY  58  -9.789  -7.770   6.186
  465    H    GLY  59           H        GLY  59  -7.557  -6.592   4.510
  466   1HA   GLY  59          2HA       GLY  59  -6.291  -4.479   4.587
  467   2HA   GLY  59          1HA       GLY  59  -6.998  -4.208   6.169
  468    H    GLN  60           H        GLN  60  -5.235  -6.873   4.627
  469    HA   GLN  60           HA       GLN  60  -3.172  -6.742   6.716
  470   1HB   GLN  60          2HB       GLN  60  -5.134  -8.994   6.287
  471   2HB   GLN  60          1HB       GLN  60  -3.590  -9.259   7.097
  472   1HG   GLN  60          2HG       GLN  60  -4.407  -7.090   8.462
  473   2HG   GLN  60          1HG       GLN  60  -5.984  -7.753   8.028
  474   1HE2  GLN  60          1HE2      GLN  60  -6.508  -8.537  10.160
  475   2HE2  GLN  60          2HE2      GLN  60  -5.654  -9.808  10.894
  476    H    VAL  61           H        VAL  61  -1.618  -6.370   5.035
  477    HA   VAL  61           HA       VAL  61  -0.923  -8.759   3.481
  478    HB   VAL  61           HB       VAL  61  -2.256  -6.376   2.466
  479   1HG1  VAL  61          1HG1      VAL  61   0.055  -5.738   1.856
  480   2HG1  VAL  61          2HG1      VAL  61  -0.899  -6.138   0.428
  481   3HG1  VAL  61          3HG1      VAL  61   0.269  -7.297   1.060
  482   1HG2  VAL  61          1HG2      VAL  61  -2.567  -7.915   0.509
  483   2HG2  VAL  61          2HG2      VAL  61  -3.074  -8.619   2.042
  484   3HG2  VAL  61          3HG2      VAL  61  -1.532  -9.085   1.324
  485    H    ASN  62           H        ASN  62   1.293  -8.747   2.766
  486    HA   ASN  62           HA       ASN  62   3.109  -7.187   4.409
  487   1HB   ASN  62          2HB       ASN  62   3.115  -9.423   2.560
  488   2HB   ASN  62          1HB       ASN  62   4.458  -8.339   2.207
  489   1HD2  ASN  62          1HD2      ASN  62   3.095  -8.685   5.456
  490   2HD2  ASN  62          2HD2      ASN  62   4.455  -9.439   6.138
  491    H    LEU  63           H        LEU  63   2.905  -4.984   3.950
  492    HA   LEU  63           HA       LEU  63   2.691  -3.916   1.285
  493   1HB   LEU  63          2HB       LEU  63   1.891  -3.103   3.623
  494   2HB   LEU  63          1HB       LEU  63   3.516  -2.430   3.760
  495    HG   LEU  63           HG       LEU  63   1.907  -1.909   1.283
  496   1HD1  LEU  63          1HD1      LEU  63   1.666   0.257   3.138
  497   2HD1  LEU  63          2HD1      LEU  63   1.080  -1.215   3.918
  498   3HD1  LEU  63          3HD1      LEU  63   0.379  -0.686   2.386
  499   1HD2  LEU  63          1HD2      LEU  63   4.315  -0.886   2.657
  500   2HD2  LEU  63          2HD2      LEU  63   3.262   0.361   1.986
  501   3HD2  LEU  63          3HD2      LEU  63   3.921  -0.895   0.937
  502    H    ASP  64           H        ASP  64   4.250  -2.668   0.173
  503    HA   ASP  64           HA       ASP  64   7.056  -2.870   1.107
  504   1HB   ASP  64          2HB       ASP  64   5.770  -4.020  -1.173
  505   2HB   ASP  64          1HB       ASP  64   6.886  -2.783  -1.749
  506    H    MET  65           H        MET  65   7.555  -0.741   1.617
  507    HA   MET  65           HA       MET  65   6.193   1.508   0.383
  508   1HB   MET  65          2HB       MET  65   8.567   1.174   2.231
  509   2HB   MET  65          1HB       MET  65   7.929   2.752   1.772
  510   1HG   MET  65          2HG       MET  65   5.647   1.387   2.508
  511   2HG   MET  65          1HG       MET  65   6.843   0.774   3.651
  512   1HE   MET  65          1HE       MET  65   4.588   4.580   3.798
  513   2HE   MET  65          2HE       MET  65   4.122   2.887   3.660
  514   3HE   MET  65          3HE       MET  65   4.845   3.709   2.280
  515    H    GLU  66           H        GLU  66   7.105   3.075  -1.026
  516    HA   GLU  66           HA       GLU  66   9.635   2.322  -2.374
  517   1HB   GLU  66          2HB       GLU  66   6.941   2.423  -3.367
  518   2HB   GLU  66          1HB       GLU  66   7.905   3.648  -4.191
  519   1HG   GLU  66          2HG       GLU  66   9.530   2.013  -4.885
  520   2HG   GLU  66          1HG       GLU  66   8.788   0.769  -3.879
  521    H    ASP  67           H        ASP  67  11.076   3.990  -2.370
  522    HA   ASP  67           HA       ASP  67  10.218   6.643  -1.467
  523   1HB   ASP  67          2HB       ASP  67  12.548   4.958  -1.370
  524   2HB   ASP  67          1HB       ASP  67  12.990   6.530  -2.040
  525    H    HIS  68           H        HIS  68  10.492   8.537  -2.709
  526    HA   HIS  68           HA       HIS  68  11.809   8.714  -5.246
  527   1HB   HIS  68          2HB       HIS  68   9.706   8.654  -6.640
  528   2HB   HIS  68          1HB       HIS  68  10.109   7.095  -5.912
  529    HD1  HIS  68           1HD      HIS  68   7.342   9.304  -6.302
  530    HD2  HIS  68           2HD      HIS  68   8.729   6.936  -3.173
  531    HE1  HIS  68           1HE      HIS  68   5.410   9.041  -4.689
  532    H    ARG  69           H        ARG  69  11.015  10.252  -2.726
  533    HA   ARG  69           HA       ARG  69   9.214  12.351  -3.398
  534   1HB   ARG  69          2HB       ARG  69  11.569  12.907  -1.659
  535   2HB   ARG  69          1HB       ARG  69   9.865  13.227  -1.361
  536   1HG   ARG  69          2HG       ARG  69  11.362  10.629  -1.063
  537   2HG   ARG  69          1HG       ARG  69  10.428  11.492   0.151
  538   1HD   ARG  69          2HD       ARG  69   9.509   9.583  -1.921
  539   2HD   ARG  69          1HD       ARG  69   8.777   9.992  -0.364
  540    HE   ARG  69           HE       ARG  69   8.070  11.170  -2.897
  541   1HH1  ARG  69          1HH1      ARG  69   7.068  11.109   0.198
  542   2HH1  ARG  69          2HH1      ARG  69   6.687  12.790   0.354
  543   1HH2  ARG  69          1HH2      ARG  69   8.254  13.694  -2.603
  544   2HH2  ARG  69          2HH2      ARG  69   7.363  14.255  -1.229
  545    H    ASP  70           H        ASP  70  12.615  11.853  -4.107
  546    HA   ASP  70           HA       ASP  70  13.224  14.520  -4.997
  547   1HB   ASP  70          2HB       ASP  70  14.382  11.864  -4.937
  548   2HB   ASP  70          1HB       ASP  70  14.672  12.608  -6.511
  549    H    GLU  71           H        GLU  71  11.046  12.213  -6.131
  550    HA   GLU  71           HA       GLU  71  10.630  13.706  -8.651
  551   1HB   GLU  71          2HB       GLU  71  11.315  10.749  -8.521
  552   2HB   GLU  71          1HB       GLU  71  10.834  11.613  -9.981
  553   1HG   GLU  71          2HG       GLU  71  12.794  13.190  -9.527
  554   2HG   GLU  71          1HG       GLU  71  13.336  12.011  -8.332
  555    H    ASP  72           H        ASP  72   8.720  14.019  -7.012
  556    HA   ASP  72           HA       ASP  72   6.913  11.826  -6.554
  557   1HB   ASP  72          2HB       ASP  72   6.537  14.833  -6.477
  558   2HB   ASP  72          1HB       ASP  72   5.480  13.648  -5.710
  559    H    PHE  73           H        PHE  73   4.602  11.922  -7.395
  560    HA   PHE  73           HA       PHE  73   4.564  11.930 -10.266
  561   1HB   PHE  73          2HB       PHE  73   3.212  10.635  -8.406
  562   2HB   PHE  73          1HB       PHE  73   2.109  12.004  -8.542
  563    HD1  PHE  73           1HD      PHE  73   1.800   8.946  -9.381
  564    HD2  PHE  73           2HD      PHE  73   2.630  12.586 -11.506
  565    HE1  PHE  73           1HE      PHE  73   0.836   7.963 -11.442
  566    HE2  PHE  73           2HE      PHE  73   1.666  11.602 -13.567
  567    HZ   PHE  73           HZ       PHE  73   0.770   9.291 -13.536
  568    H    VAL  74           H        VAL  74   4.946  14.022 -11.107
  569    HA   VAL  74           HA       VAL  74   4.538  16.326 -11.529
  570    HB   VAL  74           HB       VAL  74   1.789  15.055 -11.324
  571   1HG1  VAL  74          1HG1      VAL  74   0.852  16.971 -12.123
  572   2HG1  VAL  74          2HG1      VAL  74   2.232  17.326 -13.162
  573   3HG1  VAL  74          3HG1      VAL  74   2.286  17.745 -11.449
  574   1HG2  VAL  74          1HG2      VAL  74   3.688  15.512 -13.647
  575   2HG2  VAL  74          2HG2      VAL  74   2.047  14.886 -13.800
  576   3HG2  VAL  74          3HG2      VAL  74   3.270  13.954 -12.936
  577    H    LYS  75           H        LYS  75   5.257  17.336  -9.566
  578    HA   LYS  75           HA       LYS  75   4.040  17.431  -7.063
  579   1HB   LYS  75          2HB       LYS  75   5.159  19.639  -6.882
  580   2HB   LYS  75          1HB       LYS  75   6.195  18.459  -7.690
  581   1HG   LYS  75          2HG       LYS  75   6.009  19.490  -9.740
  582   2HG   LYS  75          1HG       LYS  75   4.379  20.079  -9.413
  583   1HD   LYS  75          2HD       LYS  75   5.762  22.019  -9.383
  584   2HD   LYS  75          1HD       LYS  75   5.452  21.641  -7.688
  585   1HE   LYS  75          2HE       LYS  75   7.788  20.195  -8.647
  586   2HE   LYS  75          1HE       LYS  75   7.979  21.946  -8.871
  587   1HZ   LYS  75          1HZ       LYS  75   7.392  20.455  -6.390
  588   2HZ   LYS  75          2HZ       LYS  75   6.951  22.090  -6.539
  589   3HZ   LYS  75          3HZ       LYS  75   8.582  21.632  -6.663
  590    HA   PRO  76           HA       PRO  76   0.212  19.514  -7.615
  591   1HB   PRO  76          2HB       PRO  76  -0.038  20.747  -5.184
  592   2HB   PRO  76          1HB       PRO  76  -0.245  18.998  -5.405
  593   1HG   PRO  76          2HG       PRO  76   2.093  20.511  -4.358
  594   2HG   PRO  76          1HG       PRO  76   1.433  18.951  -3.843
  595   1HD   PRO  76          2HD       PRO  76   3.652  19.217  -5.418
  596   2HD   PRO  76          1HD       PRO  76   2.594  17.789  -5.431
  Start of MODEL    5
    1    H    GLU   1           1HT      GLU   1  12.346 -30.685  -9.174
    2    HA   GLU   1           HA       GLU   1  11.827 -30.029 -11.456
    3   1HB   GLU   1          2HB       GLU   1  10.494 -32.601 -11.215
    4   2HB   GLU   1          1HB       GLU   1   9.390 -31.377 -11.842
    5   1HG   GLU   1          2HG       GLU   1  11.015 -30.774 -13.583
    6   2HG   GLU   1          1HG       GLU   1  12.153 -31.962 -12.944
    7    H    ARG   2           H        ARG   2  11.502 -28.381  -9.614
    8    HA   ARG   2           HA       ARG   2  10.113 -26.751  -8.613
    9   1HB   ARG   2          2HB       ARG   2   8.704 -27.874 -10.960
   10   2HB   ARG   2          1HB       ARG   2   7.664 -27.041  -9.804
   11   1HG   ARG   2          2HG       ARG   2   9.440 -25.158  -9.868
   12   2HG   ARG   2          1HG       ARG   2  10.016 -25.944 -11.337
   13   1HD   ARG   2          2HD       ARG   2   7.092 -25.251 -10.992
   14   2HD   ARG   2          1HD       ARG   2   8.255 -24.078 -11.643
   15    HE   ARG   2           HE       ARG   2   8.755 -26.452 -13.036
   16   1HH1  ARG   2          1HH2      ARG   2   5.631 -26.253 -12.403
   17   2HH1  ARG   2          2HH2      ARG   2   5.086 -25.731 -13.963
   18   1HH2  ARG   2          1HH1      ARG   2   8.265 -24.945 -15.104
   19   2HH2  ARG   2          2HH1      ARG   2   6.578 -24.989 -15.492
   20    H    ARG   3           H        ARG   3   9.389 -27.025  -6.542
   21    HA   ARG   3           HA       ARG   3   7.702 -29.421  -5.922
   22   1HB   ARG   3          2HB       ARG   3   9.593 -27.661  -4.345
   23   2HB   ARG   3          1HB       ARG   3   8.520 -28.817  -3.558
   24   1HG   ARG   3          2HG       ARG   3   9.657 -30.646  -4.378
   25   2HG   ARG   3          1HG       ARG   3  10.158 -29.807  -5.846
   26   1HD   ARG   3          2HD       ARG   3  12.002 -28.826  -4.818
   27   2HD   ARG   3          1HD       ARG   3  11.256 -28.873  -3.210
   28    HE   ARG   3           HE       ARG   3  12.852 -30.975  -4.325
   29   1HH1  ARG   3          1HH2      ARG   3  12.094 -30.658  -1.413
   30   2HH1  ARG   3          2HH2      ARG   3  11.118 -32.065  -1.152
   31   1HH2  ARG   3          1HH1      ARG   3  10.647 -32.688  -4.530
   32   2HH2  ARG   3          2HH1      ARG   3  10.300 -33.216  -2.917
   33    H    ARG   4           H        ARG   4   8.051 -26.410  -4.082
   34    HA   ARG   4           HA       ARG   4   5.361 -25.461  -4.785
   35   1HB   ARG   4          2HB       ARG   4   4.537 -25.790  -2.439
   36   2HB   ARG   4          1HB       ARG   4   4.871 -27.312  -3.265
   37   1HG   ARG   4          2HG       ARG   4   7.311 -26.786  -2.169
   38   2HG   ARG   4          1HG       ARG   4   6.244 -26.082  -0.952
   39   1HD   ARG   4          2HD       ARG   4   5.666 -28.138  -0.201
   40   2HD   ARG   4          1HD       ARG   4   5.220 -28.655  -1.839
   41    HE   ARG   4           HE       ARG   4   7.323 -29.709  -1.971
   42   1HH1  ARG   4          1HH2      ARG   4   7.231 -27.433   0.599
   43   2HH1  ARG   4          2HH2      ARG   4   8.926 -27.541   0.941
   44   1HH2  ARG   4          1HH1      ARG   4   9.585 -29.720  -1.673
   45   2HH2  ARG   4          2HH1      ARG   4  10.258 -28.835  -0.346
   46    H    HIS   5           H        HIS   5   4.818 -23.503  -3.324
   47    HA   HIS   5           HA       HIS   5   7.227 -22.207  -2.148
   48   1HB   HIS   5          2HB       HIS   5   6.600 -20.164  -3.576
   49   2HB   HIS   5          1HB       HIS   5   7.333 -21.519  -4.434
   50    HD1  HIS   5           1HD      HIS   5   5.706 -23.065  -5.833
   51    HD2  HIS   5           2HD      HIS   5   3.938 -19.611  -4.307
   52    HE1  HIS   5           1HE      HIS   5   3.506 -22.785  -7.056
   53    H    SER   6           H        SER   6   6.133 -19.675  -1.785
   54    HA   SER   6           HA       SER   6   4.602 -19.845   0.541
   55   1HB   SER   6          2HB       SER   6   3.993 -17.587  -1.277
   56   2HB   SER   6          1HB       SER   6   4.637 -17.563   0.362
   57    HG   SER   6           HG       SER   6   6.010 -17.059  -1.683
   58    H    GLY   7           H        GLY   7   2.240 -18.863   0.659
   59   1HA   GLY   7          2HA       GLY   7   0.540 -20.612  -1.006
   60   2HA   GLY   7          1HA       GLY   7   0.008 -19.681   0.395
   61    H    GLN   8           H        GLN   8   1.932 -18.081  -2.009
   62    HA   GLN   8           HA       GLN   8   1.381 -16.398  -3.574
   63   1HB   GLN   8          2HB       GLN   8  -0.133 -18.449  -4.195
   64   2HB   GLN   8          1HB       GLN   8  -1.432 -17.472  -3.509
   65   1HG   GLN   8          2HG       GLN   8  -1.391 -16.959  -5.844
   66   2HG   GLN   8          1HG       GLN   8  -0.640 -15.584  -5.032
   67   1HE2  GLN   8          1HE2      GLN   8   1.348 -14.964  -5.887
   68   2HE2  GLN   8          2HE2      GLN   8   2.377 -15.970  -6.788
   69    H    ASP   9           H        ASP   9   1.320 -15.644  -0.873
   70    HA   ASP   9           HA       ASP   9  -1.132 -14.430  -0.012
   71   1HB   ASP   9          2HB       ASP   9   1.616 -14.681   0.785
   72   2HB   ASP   9          1HB       ASP   9   1.135 -12.992   0.947
   73    H    VAL  10           H        VAL  10  -0.910 -11.824   0.390
   74    HA   VAL  10           HA       VAL  10  -0.833 -10.674  -2.309
   75    HB   VAL  10           HB       VAL  10  -2.082 -10.111   0.311
   76   1HG1  VAL  10          1HG1      VAL  10  -1.032  -7.993  -1.545
   77   2HG1  VAL  10          2HG1      VAL  10  -1.063  -8.006   0.217
   78   3HG1  VAL  10          3HG1      VAL  10  -2.547  -7.724  -0.690
   79   1HG2  VAL  10          1HG2      VAL  10  -3.996 -10.061  -0.966
   80   2HG2  VAL  10          2HG2      VAL  10  -2.983 -10.998  -2.065
   81   3HG2  VAL  10          3HG2      VAL  10  -3.196  -9.266  -2.322
   82    H    HIS  11           H        HIS  11   1.038  -9.649  -2.962
   83    HA   HIS  11           HA       HIS  11   2.618  -8.165  -0.888
   84   1HB   HIS  11          2HB       HIS  11   3.672  -9.851  -3.188
   85   2HB   HIS  11          1HB       HIS  11   4.648  -9.018  -1.976
   86    HD1  HIS  11           1HD      HIS  11   2.843 -12.156  -2.599
   87    HD2  HIS  11           2HD      HIS  11   4.243 -10.096   0.744
   88    HE1  HIS  11           1HE      HIS  11   2.828 -13.810  -0.681
   89    H    VAL  12           H        VAL  12   2.517  -6.018  -1.495
   90    HA   VAL  12           HA       VAL  12   2.781  -5.374  -4.407
   91    HB   VAL  12           HB       VAL  12   1.128  -3.425  -3.475
   92   1HG1  VAL  12          1HG1      VAL  12   0.415  -6.169  -4.542
   93   2HG1  VAL  12          2HG1      VAL  12   0.692  -4.701  -5.480
   94   3HG1  VAL  12          3HG1      VAL  12  -0.729  -4.830  -4.445
   95   1HG2  VAL  12          1HG2      VAL  12   0.088  -5.907  -2.117
   96   2HG2  VAL  12          2HG2      VAL  12  -0.409  -4.230  -1.885
   97   3HG2  VAL  12          3HG2      VAL  12   1.141  -4.785  -1.253
   98    H    VAL  13           H        VAL  13   3.373  -3.006  -4.703
   99    HA   VAL  13           HA       VAL  13   5.204  -2.107  -2.499
  100    HB   VAL  13           HB       VAL  13   5.362  -1.547  -5.476
  101   1HG1  VAL  13          1HG1      VAL  13   6.622  -0.232  -3.521
  102   2HG1  VAL  13          2HG1      VAL  13   7.435  -0.619  -5.038
  103   3HG1  VAL  13          3HG1      VAL  13   7.702  -1.624  -3.613
  104   1HG2  VAL  13          1HG2      VAL  13   7.204  -3.340  -5.348
  105   2HG2  VAL  13          2HG2      VAL  13   5.539  -3.918  -5.308
  106   3HG2  VAL  13          3HG2      VAL  13   6.475  -3.820  -3.817
  107    H    LEU  14           H        LEU  14   4.387  -0.290  -1.501
  108    HA   LEU  14           HA       LEU  14   2.544   1.491  -3.009
  109   1HB   LEU  14          2HB       LEU  14   3.203   1.791  -0.107
  110   2HB   LEU  14          1HB       LEU  14   1.658   1.962  -0.927
  111    HG   LEU  14           HG       LEU  14   3.088  -0.613  -0.249
  112   1HD1  LEU  14          1HD1      LEU  14   0.366   0.493   0.503
  113   2HD1  LEU  14          2HD1      LEU  14   1.775   0.440   1.561
  114   3HD1  LEU  14          3HD1      LEU  14   1.023  -1.059   1.020
  115   1HD2  LEU  14          1HD2      LEU  14   1.591  -1.806  -1.582
  116   2HD2  LEU  14          2HD2      LEU  14   1.869  -0.383  -2.583
  117   3HD2  LEU  14          3HD2      LEU  14   0.411  -0.499  -1.601
  118    H    LYS  15           H        LYS  15   3.356   3.405  -3.794
  119    HA   LYS  15           HA       LYS  15   5.917   4.411  -2.721
  120   1HB   LYS  15          2HB       LYS  15   6.173   4.082  -5.005
  121   2HB   LYS  15          1HB       LYS  15   4.469   4.402  -5.334
  122   1HG   LYS  15          2HG       LYS  15   4.796   6.622  -5.559
  123   2HG   LYS  15          1HG       LYS  15   5.948   6.689  -4.228
  124   1HD   LYS  15          2HD       LYS  15   6.948   7.183  -6.502
  125   2HD   LYS  15          1HD       LYS  15   7.733   5.876  -5.620
  126   1HE   LYS  15          2HE       LYS  15   5.610   4.683  -7.085
  127   2HE   LYS  15          1HE       LYS  15   6.471   5.756  -8.204
  128   1HZ   LYS  15          1HZ       LYS  15   7.802   3.896  -8.252
  129   2HZ   LYS  15          2HZ       LYS  15   7.513   3.503  -6.625
  130   3HZ   LYS  15          3HZ       LYS  15   8.551   4.789  -7.019
  131    H    LEU  16           H        LEU  16   6.049   6.746  -2.262
  132    HA   LEU  16           HA       LEU  16   3.349   8.008  -1.872
  133   1HB   LEU  16          2HB       LEU  16   5.131   7.152   0.036
  134   2HB   LEU  16          1HB       LEU  16   5.556   8.856  -0.116
  135    HG   LEU  16           HG       LEU  16   2.686   8.562  -0.118
  136   1HD1  LEU  16          1HD1      LEU  16   3.224   7.927   2.578
  137   2HD1  LEU  16          2HD1      LEU  16   4.113   6.744   1.622
  138   3HD1  LEU  16          3HD1      LEU  16   2.374   6.929   1.400
  139   1HD2  LEU  16          1HD2      LEU  16   4.827  10.096   1.196
  140   2HD2  LEU  16          2HD2      LEU  16   3.415   9.831   2.220
  141   3HD2  LEU  16          3HD2      LEU  16   3.235  10.627   0.656
  142    H    TRP  17           H        TRP  17   3.104   9.881  -2.977
  143    HA   TRP  17           HA       TRP  17   5.487  11.279  -4.077
  144   1HB   TRP  17          2HB       TRP  17   2.528  11.618  -4.646
  145   2HB   TRP  17          1HB       TRP  17   3.871  12.157  -5.643
  146    HD1  TRP  17           HD       TRP  17   1.735   9.171  -4.911
  147    HE1  TRP  17           1HE      TRP  17   2.460   7.220  -6.393
  148    HE3  TRP  17           3HE      TRP  17   6.028  11.023  -6.860
  149    HZ2  TRP  17           2HZ      TRP  17   4.533   6.502  -8.185
  150    HZ3  TRP  17           3HZ      TRP  17   7.378   9.701  -8.464
  151    HH2  TRP  17           HH       TRP  17   6.626   7.430  -9.128
  152    H    LYS  18           H        LYS  18   4.978  13.807  -4.230
  153    HA   LYS  18           HA       LYS  18   5.284  15.120  -1.866
  154   1HB   LYS  18          2HB       LYS  18   4.195  15.702  -4.506
  155   2HB   LYS  18          1HB       LYS  18   3.506  16.752  -3.268
  156   1HG   LYS  18          2HG       LYS  18   5.688  17.543  -4.376
  157   2HG   LYS  18          1HG       LYS  18   5.638  17.563  -2.613
  158   1HD   LYS  18          2HD       LYS  18   7.086  15.776  -2.411
  159   2HD   LYS  18          1HD       LYS  18   6.597  15.070  -3.952
  160   1HE   LYS  18          2HE       LYS  18   8.736  15.906  -4.466
  161   2HE   LYS  18          1HE       LYS  18   7.700  17.263  -4.956
  162   1HZ   LYS  18          1HZ       LYS  18   7.937  18.176  -2.710
  163   2HZ   LYS  18          2HZ       LYS  18   9.440  18.049  -3.493
  164   3HZ   LYS  18          3HZ       LYS  18   9.001  16.918  -2.305
  165    H    THR  19           H        THR  19   2.039  14.414  -3.232
  166    HA   THR  19           HA       THR  19   0.977  14.400  -0.439
  167    HB   THR  19           HB       THR  19   0.605  16.642  -1.275
  168    HG1  THR  19           1HG      THR  19  -1.550  16.683  -1.045
  169   1HG2  THR  19          1HG2      THR  19   0.230  15.197  -3.788
  170   2HG2  THR  19          2HG2      THR  19   0.685  16.879  -3.520
  171   3HG2  THR  19          3HG2      THR  19  -1.016  16.414  -3.516
  172    H    GLY  20           H        GLY  20   1.543  12.436  -2.725
  173   1HA   GLY  20          2HA       GLY  20  -1.014  11.027  -2.519
  174   2HA   GLY  20          1HA       GLY  20  -0.512  11.418  -4.153
  175    H    PHE  21           H        PHE  21  -0.792   8.769  -2.988
  176    HA   PHE  21           HA       PHE  21   2.062   7.864  -3.209
  177   1HB   PHE  21          2HB       PHE  21   1.089   5.898  -1.777
  178   2HB   PHE  21          1HB       PHE  21   1.453   7.429  -0.985
  179    HD1  PHE  21           1HD      PHE  21  -1.386   5.840  -2.876
  180    HD2  PHE  21           2HD      PHE  21  -0.185   8.312   0.408
  181    HE1  PHE  21           1HE      PHE  21  -3.736   6.036  -2.163
  182    HE2  PHE  21           2HE      PHE  21  -2.533   8.511   1.120
  183    HZ   PHE  21           HZ       PHE  21  -4.289   7.369  -0.169
  184    H    SER  22           H        SER  22   2.400   5.911  -4.423
  185    HA   SER  22           HA       SER  22   0.151   5.250  -6.283
  186   1HB   SER  22          2HB       SER  22   2.093   5.974  -7.460
  187   2HB   SER  22          1HB       SER  22   3.161   5.057  -6.407
  188    HG   SER  22           HG       SER  22   1.533   4.208  -8.514
  189    H    LEU  23           H        LEU  23   0.454   2.863  -7.105
  190    HA   LEU  23           HA       LEU  23   1.414   0.910  -5.166
  191   1HB   LEU  23          2HB       LEU  23  -1.042   2.141  -4.681
  192   2HB   LEU  23          1HB       LEU  23  -1.456   0.582  -5.385
  193    HG   LEU  23           HG       LEU  23   0.608   0.782  -3.210
  194   1HD1  LEU  23          1HD1      LEU  23  -1.906  -0.118  -2.180
  195   2HD1  LEU  23          2HD1      LEU  23  -2.155   1.450  -2.951
  196   3HD1  LEU  23          3HD1      LEU  23  -0.954   1.276  -1.671
  197   1HD2  LEU  23          1HD2      LEU  23  -0.649  -1.570  -2.875
  198   2HD2  LEU  23          2HD2      LEU  23   0.682  -1.377  -4.016
  199   3HD2  LEU  23          3HD2      LEU  23  -0.985  -1.330  -4.589
  200    H    ASP  24           H        ASP  24   2.189  -0.559  -6.640
  201    HA   ASP  24           HA       ASP  24   2.172  -2.119  -8.418
  202   1HB   ASP  24          2HB       ASP  24  -0.419  -1.983  -7.233
  203   2HB   ASP  24          1HB       ASP  24  -0.644  -2.122  -8.977
  204    H    ASN  25           H        ASN  25   0.929  -2.301 -10.770
  205    HA   ASN  25           HA       ASN  25   1.827  -0.113 -12.332
  206   1HB   ASN  25          2HB       ASN  25   0.217  -1.211 -14.028
  207   2HB   ASN  25          1HB       ASN  25   1.478  -2.236 -13.343
  208   1HD2  ASN  25          1HD2      ASN  25   0.789  -4.116 -12.280
  209   2HD2  ASN  25          2HD2      ASN  25  -0.821  -4.442 -11.848
  210    H    GLY  26           H        GLY  26  -1.162  -0.563 -10.576
  211   1HA   GLY  26          2HA       GLY  26  -3.010   1.027 -11.870
  212   2HA   GLY  26          1HA       GLY  26  -2.841   1.038 -10.115
  213    H    ASP  27           H        ASP  27  -3.575   3.342 -11.574
  214    HA   ASP  27           HA       ASP  27  -1.335   5.061 -12.115
  215   1HB   ASP  27          2HB       ASP  27  -4.146   5.862 -11.348
  216   2HB   ASP  27          1HB       ASP  27  -3.041   6.701 -12.437
  217    H    LEU  28           H        LEU  28  -1.094   7.186 -10.815
  218    HA   LEU  28           HA       LEU  28  -0.347   6.607  -8.116
  219   1HB   LEU  28          2HB       LEU  28   0.830   8.323  -9.115
  220   2HB   LEU  28          1HB       LEU  28  -0.606   8.967  -9.890
  221    HG   LEU  28           HG       LEU  28  -0.716   9.047  -6.955
  222   1HD1  LEU  28          1HD1      LEU  28   1.024  10.488  -6.519
  223   2HD1  LEU  28          2HD1      LEU  28   1.033  11.142  -8.156
  224   3HD1  LEU  28          3HD1      LEU  28   1.764   9.571  -7.831
  225   1HD2  LEU  28          1HD2      LEU  28  -0.992  11.602  -8.110
  226   2HD2  LEU  28          2HD2      LEU  28  -2.295  10.514  -7.629
  227   3HD2  LEU  28          3HD2      LEU  28  -1.684  10.482  -9.283
  228    H    ARG  29           H        ARG  29  -1.354   7.314  -6.137
  229    HA   ARG  29           HA       ARG  29  -4.291   7.861  -6.404
  230   1HB   ARG  29          2HB       ARG  29  -3.160   5.736  -5.291
  231   2HB   ARG  29          1HB       ARG  29  -2.963   6.827  -3.919
  232   1HG   ARG  29          2HG       ARG  29  -5.118   6.525  -3.361
  233   2HG   ARG  29          1HG       ARG  29  -5.613   7.162  -4.930
  234   1HD   ARG  29          2HD       ARG  29  -4.715   4.578  -5.515
  235   2HD   ARG  29          1HD       ARG  29  -5.619   4.399  -3.997
  236    HE   ARG  29           HE       ARG  29  -7.435   5.798  -5.194
  237   1HH1  ARG  29          1HH1      ARG  29  -7.596   2.957  -5.991
  238   2HH1  ARG  29          2HH1      ARG  29  -7.532   3.037  -7.721
  239   1HH2  ARG  29          1HH2      ARG  29  -6.296   6.276  -7.789
  240   2HH2  ARG  29          2HH2      ARG  29  -6.795   4.916  -8.738
  241    H    SER  30           H        SER  30  -5.186   9.526  -5.097
  242    HA   SER  30           HA       SER  30  -3.237  11.558  -4.156
  243   1HB   SER  30          2HB       SER  30  -5.895  11.449  -5.301
  244   2HB   SER  30          1HB       SER  30  -5.910  12.411  -3.827
  245    HG   SER  30           HG       SER  30  -3.871  12.740  -5.741
  246    H    TYR  31           H        TYR  31  -3.156  12.254  -1.988
  247    HA   TYR  31           HA       TYR  31  -3.784  10.397   0.087
  248   1HB   TYR  31          2HB       TYR  31  -2.671  13.074  -0.280
  249   2HB   TYR  31          1HB       TYR  31  -3.552  12.925   1.239
  250    HD1  TYR  31           1HD      TYR  31  -2.732  11.565   3.036
  251    HD2  TYR  31           2HD      TYR  31  -0.798  11.502  -0.797
  252    HE1  TYR  31           1HE      TYR  31  -0.829  10.314   4.016
  253    HE2  TYR  31           2HE      TYR  31   1.104  10.248   0.181
  254    HH   TYR  31           HH       TYR  31   1.489   9.858   3.584
  255    H    GLN  32           H        GLN  32  -5.913  12.417  -1.622
  256    HA   GLN  32           HA       GLN  32  -7.706  12.911   0.644
  257   1HB   GLN  32          2HB       GLN  32  -7.047  14.384  -1.471
  258   2HB   GLN  32          1HB       GLN  32  -8.396  13.507  -2.194
  259   1HG   GLN  32          2HG       GLN  32  -9.951  14.379  -0.668
  260   2HG   GLN  32          1HG       GLN  32  -8.704  14.796   0.509
  261   1HE2  GLN  32          1HE2      GLN  32  -7.263  16.670  -0.061
  262   2HE2  GLN  32          2HE2      GLN  32  -7.847  17.877  -1.102
  263    H    ASP  33           H        ASP  33  -7.894  11.281  -2.515
  264    HA   ASP  33           HA       ASP  33 -10.389  10.223  -2.644
  265   1HB   ASP  33          2HB       ASP  33  -9.218   9.234  -4.302
  266   2HB   ASP  33          1HB       ASP  33  -7.706   9.452  -3.426
  267    HA   PRO  34           HA       PRO  34 -11.293   7.795   0.909
  268   1HB   PRO  34          2HB       PRO  34 -12.830   5.815  -0.201
  269   2HB   PRO  34          1HB       PRO  34 -13.410   7.477   0.033
  270   1HG   PRO  34          2HG       PRO  34 -12.346   6.175  -2.432
  271   2HG   PRO  34          1HG       PRO  34 -13.727   7.269  -2.243
  272   1HD   PRO  34          2HD       PRO  34 -11.344   8.117  -3.181
  273   2HD   PRO  34          1HD       PRO  34 -12.403   9.155  -2.202
  274    H    SER  35           H        SER  35 -10.191   5.953  -1.959
  275    HA   SER  35           HA       SER  35  -9.502   3.500  -0.856
  276   1HB   SER  35          2HB       SER  35  -8.774   3.490  -3.006
  277   2HB   SER  35          1HB       SER  35  -8.612   5.242  -3.024
  278    HG   SER  35           HG       SER  35  -6.748   3.262  -2.460
  279    H    ASN  36           H        ASN  36  -8.084   6.624  -0.188
  280    HA   ASN  36           HA       ASN  36  -5.612   5.801   0.968
  281   1HB   ASN  36          2HB       ASN  36  -7.327   8.155   1.786
  282   2HB   ASN  36          1HB       ASN  36  -5.566   8.053   1.784
  283   1HD2  ASN  36          1HD2      ASN  36  -7.026  10.096   0.342
  284   2HD2  ASN  36          2HD2      ASN  36  -6.743   9.857  -1.314
  285    H    ALA  37           H        ALA  37  -8.781   5.202   1.993
  286    HA   ALA  37           HA       ALA  37  -8.603   5.485   4.819
  287   1HB   ALA  37          1HB       ALA  37 -10.574   4.994   3.170
  288   2HB   ALA  37          2HB       ALA  37 -10.625   4.266   4.779
  289   3HB   ALA  37          3HB       ALA  37 -10.117   3.303   3.391
  290    H    GLN  38           H        GLN  38  -8.281   2.514   2.843
  291    HA   GLN  38           HA       GLN  38  -6.978   1.089   5.064
  292   1HB   GLN  38          2HB       GLN  38  -8.564   0.276   3.096
  293   2HB   GLN  38          1HB       GLN  38  -7.044   0.140   2.212
  294   1HG   GLN  38          2HG       GLN  38  -7.409  -2.005   3.233
  295   2HG   GLN  38          1HG       GLN  38  -6.160  -1.216   4.194
  296   1HE2  GLN  38          1HE2      GLN  38  -6.819  -0.300   6.310
  297   2HE2  GLN  38          2HE2      GLN  38  -8.234  -0.843   7.073
  298    H    PHE  39           H        PHE  39  -6.037   2.957   2.270
  299    HA   PHE  39           HA       PHE  39  -3.369   1.932   1.941
  300   1HB   PHE  39          2HB       PHE  39  -4.814   3.405   0.400
  301   2HB   PHE  39          1HB       PHE  39  -4.309   4.753   1.418
  302    HD1  PHE  39           1HD      PHE  39  -3.571   3.159  -1.561
  303    HD2  PHE  39           2HD      PHE  39  -1.606   4.572   1.996
  304    HE1  PHE  39           1HE      PHE  39  -1.431   3.313  -2.799
  305    HE2  PHE  39           2HE      PHE  39   0.531   4.722   0.751
  306    HZ   PHE  39           HZ       PHE  39   0.619   4.093  -1.645
  307    H    LEU  40           H        LEU  40  -4.498   4.939   3.509
  308    HA   LEU  40           HA       LEU  40  -1.978   5.540   4.702
  309   1HB   LEU  40          2HB       LEU  40  -4.384   6.727   4.173
  310   2HB   LEU  40          1HB       LEU  40  -4.422   6.553   5.915
  311    HG   LEU  40           HG       LEU  40  -2.701   8.046   6.249
  312   1HD1  LEU  40          1HD1      LEU  40  -1.021   8.497   4.310
  313   2HD1  LEU  40          2HD1      LEU  40  -1.668   7.015   3.609
  314   3HD1  LEU  40          3HD1      LEU  40  -0.885   6.973   5.189
  315   1HD2  LEU  40          1HD2      LEU  40  -2.775   9.621   4.027
  316   2HD2  LEU  40          2HD2      LEU  40  -4.028   9.624   5.268
  317   3HD2  LEU  40          3HD2      LEU  40  -4.242   8.666   3.801
  318    H    GLU  41           H        GLU  41  -4.970   4.172   6.063
  319    HA   GLU  41           HA       GLU  41  -3.901   3.879   8.718
  320   1HB   GLU  41          2HB       GLU  41  -6.210   2.399   7.453
  321   2HB   GLU  41          1HB       GLU  41  -6.011   2.827   9.153
  322   1HG   GLU  41          2HG       GLU  41  -5.908   5.103   7.266
  323   2HG   GLU  41          1HG       GLU  41  -7.470   4.295   7.385
  324    H    SER  42           H        SER  42  -4.866   1.376   6.385
  325    HA   SER  42           HA       SER  42  -3.723  -0.816   7.749
  326   1HB   SER  42          2HB       SER  42  -5.173  -0.342   5.453
  327   2HB   SER  42          1HB       SER  42  -3.654  -0.966   4.819
  328    HG   SER  42           HG       SER  42  -5.105  -2.179   6.934
  329    H    ILE  43           H        ILE  43  -2.243   1.365   5.369
  330    HA   ILE  43           HA       ILE  43   0.179  -0.074   5.012
  331    HB   ILE  43           HB       ILE  43  -0.773   2.710   4.723
  332   1HG1  ILE  43          2HG1      ILE  43   0.076   0.442   2.956
  333   2HG1  ILE  43          1HG1      ILE  43  -1.406   1.393   2.896
  334   1HG2  ILE  43          1HG2      ILE  43   1.393   3.409   3.846
  335   2HG2  ILE  43          2HG2      ILE  43   2.067   1.822   4.222
  336   3HG2  ILE  43          3HG2      ILE  43   1.554   2.894   5.526
  337   1HD1  ILE  43          1HD1      ILE  43   0.122   3.388   2.308
  338   2HD1  ILE  43          2HD1      ILE  43  -0.145   2.176   1.055
  339   3HD1  ILE  43          3HD1      ILE  43   1.358   2.174   1.979
  340    H    ARG  44           H        ARG  44  -0.631   2.600   7.215
  341    HA   ARG  44           HA       ARG  44   1.825   2.887   8.546
  342   1HB   ARG  44          2HB       ARG  44  -1.051   3.331   9.089
  343   2HB   ARG  44          1HB       ARG  44  -0.033   3.236  10.526
  344   1HG   ARG  44          2HG       ARG  44   1.438   4.818   8.763
  345   2HG   ARG  44          1HG       ARG  44  -0.225   5.362   8.541
  346   1HD   ARG  44          2HD       ARG  44   0.632   4.930  11.359
  347   2HD   ARG  44          1HD       ARG  44   1.343   6.322  10.521
  348    HE   ARG  44           HE       ARG  44  -1.616   5.854  10.567
  349   1HH1  ARG  44          1HH2      ARG  44   0.561   7.986   9.341
  350   2HH1  ARG  44          2HH2      ARG  44  -0.035   9.392  10.161
  351   1HH2  ARG  44          1HH1      ARG  44  -2.126   7.602  12.270
  352   2HH2  ARG  44          2HH1      ARG  44  -1.556   9.174  11.818
  353    H    ARG  45           H        ARG  45  -0.780   0.553   9.128
  354    HA   ARG  45           HA       ARG  45   0.579  -0.730  11.349
  355   1HB   ARG  45          2HB       ARG  45  -1.911  -1.054   9.731
  356   2HB   ARG  45          1HB       ARG  45  -1.354  -2.446  10.663
  357   1HG   ARG  45          2HG       ARG  45  -2.915  -1.074  11.989
  358   2HG   ARG  45          1HG       ARG  45  -1.303  -1.057  12.705
  359   1HD   ARG  45          2HD       ARG  45  -1.735   1.074  10.710
  360   2HD   ARG  45          1HD       ARG  45  -2.754   1.210  12.157
  361    HE   ARG  45           HE       ARG  45   0.096   0.593  12.632
  362   1HH1  ARG  45          1HH1      ARG  45  -2.251   1.966  14.285
  363   2HH1  ARG  45          2HH1      ARG  45  -1.545   3.534  14.491
  364   1HH2  ARG  45          1HH2      ARG  45   0.933   3.024  12.120
  365   2HH2  ARG  45          2HH2      ARG  45   0.257   4.134  13.267
  366    H    GLY  46           H        GLY  46   0.363  -1.182   7.877
  367   1HA   GLY  46          2HA       GLY  46   2.357  -2.334   6.875
  368   2HA   GLY  46          1HA       GLY  46   2.114  -3.552   8.117
  369    H    GLU  47           H        GLU  47  -0.305  -1.931   6.100
  370    HA   GLU  47           HA       GLU  47  -0.857  -4.510   4.708
  371   1HB   GLU  47          2HB       GLU  47  -2.794  -2.881   6.380
  372   2HB   GLU  47          1HB       GLU  47  -3.272  -4.227   5.343
  373   1HG   GLU  47          2HG       GLU  47  -2.939  -5.477   7.217
  374   2HG   GLU  47          1HG       GLU  47  -1.239  -5.365   6.766
  375    H    VAL  48           H        VAL  48  -1.634  -4.184   2.619
  376    HA   VAL  48           HA       VAL  48  -1.674  -1.441   1.606
  377    HB   VAL  48           HB       VAL  48  -0.674  -3.791   0.702
  378   1HG1  VAL  48          1HG1      VAL  48  -2.099  -4.402  -1.283
  379   2HG1  VAL  48          2HG1      VAL  48  -3.380  -3.406  -0.605
  380   3HG1  VAL  48          3HG1      VAL  48  -2.810  -4.827   0.270
  381   1HG2  VAL  48          1HG2      VAL  48  -0.048  -2.568  -1.157
  382   2HG2  VAL  48          2HG2      VAL  48  -0.579  -1.254  -0.109
  383   3HG2  VAL  48          3HG2      VAL  48  -1.653  -1.868  -1.367
  384    HA   PRO  49           HA       PRO  49  -6.049  -1.137   1.478
  385   1HB   PRO  49          2HB       PRO  49  -6.314   0.714  -0.507
  386   2HB   PRO  49          1HB       PRO  49  -5.716   1.111   1.114
  387   1HG   PRO  49          2HG       PRO  49  -4.206   0.701  -1.410
  388   2HG   PRO  49          1HG       PRO  49  -3.913   1.840  -0.092
  389   1HD   PRO  49          2HD       PRO  49  -2.522  -0.499  -0.450
  390   2HD   PRO  49          1HD       PRO  49  -2.690   0.338   1.106
  391    H    ALA  50           H        ALA  50  -4.390  -1.796  -1.599
  392    HA   ALA  50           HA       ALA  50  -6.965  -2.754  -2.761
  393   1HB   ALA  50          1HB       ALA  50  -4.711  -1.352  -3.693
  394   2HB   ALA  50          2HB       ALA  50  -6.072  -1.929  -4.656
  395   3HB   ALA  50          3HB       ALA  50  -4.634  -2.933  -4.470
  396    H    GLU  51           H        GLU  51  -3.585  -3.946  -2.870
  397    HA   GLU  51           HA       GLU  51  -4.156  -6.587  -3.619
  398   1HB   GLU  51          2HB       GLU  51  -1.957  -5.078  -3.028
  399   2HB   GLU  51          1HB       GLU  51  -1.960  -6.213  -1.678
  400   1HG   GLU  51          2HG       GLU  51  -0.681  -7.248  -3.421
  401   2HG   GLU  51          1HG       GLU  51  -2.242  -8.070  -3.396
  402    H    LEU  52           H        LEU  52  -4.484  -5.111  -0.414
  403    HA   LEU  52           HA       LEU  52  -4.624  -7.644   0.983
  404   1HB   LEU  52          2HB       LEU  52  -4.775  -6.263   2.831
  405   2HB   LEU  52          1HB       LEU  52  -4.151  -5.089   1.675
  406    HG   LEU  52           HG       LEU  52  -7.087  -5.552   2.171
  407   1HD1  LEU  52          1HD1      LEU  52  -5.344  -4.439   3.978
  408   2HD1  LEU  52          2HD1      LEU  52  -7.060  -4.040   3.878
  409   3HD1  LEU  52          3HD1      LEU  52  -5.867  -3.023   3.063
  410   1HD2  LEU  52          1HD2      LEU  52  -7.354  -4.250   0.371
  411   2HD2  LEU  52          2HD2      LEU  52  -5.608  -4.076   0.211
  412   3HD2  LEU  52          3HD2      LEU  52  -6.516  -2.959   1.225
  413    H    ARG  53           H        ARG  53  -6.864  -5.564  -0.707
  414    HA   ARG  53           HA       ARG  53  -9.225  -6.763   0.395
  415   1HB   ARG  53          2HB       ARG  53  -8.544  -4.630  -1.288
  416   2HB   ARG  53          1HB       ARG  53  -9.451  -5.726  -2.330
  417   1HG   ARG  53          2HG       ARG  53 -11.367  -5.646  -0.940
  418   2HG   ARG  53          1HG       ARG  53 -10.458  -4.968   0.413
  419   1HD   ARG  53          2HD       ARG  53 -11.899  -3.281  -0.830
  420   2HD   ARG  53          1HD       ARG  53 -10.176  -2.852  -0.768
  421    HE   ARG  53           HE       ARG  53 -10.006  -3.345  -3.090
  422   1HH1  ARG  53          1HH2      ARG  53 -12.825  -4.752  -1.711
  423   2HH1  ARG  53          2HH2      ARG  53 -13.619  -4.987  -3.233
  424   1HH2  ARG  53          1HH1      ARG  53 -11.094  -3.496  -5.081
  425   2HH2  ARG  53          2HH1      ARG  53 -12.639  -4.275  -5.141
  426    H    ARG  54           H        ARG  54  -6.961  -7.509  -2.136
  427    HA   ARG  54           HA       ARG  54  -8.529  -9.444  -3.564
  428   1HB   ARG  54          2HB       ARG  54  -5.666  -8.643  -3.275
  429   2HB   ARG  54          1HB       ARG  54  -6.008 -10.195  -4.042
  430   1HG   ARG  54          2HG       ARG  54  -7.471  -9.101  -5.672
  431   2HG   ARG  54          1HG       ARG  54  -7.213  -7.543  -4.885
  432   1HD   ARG  54          2HD       ARG  54  -4.682  -7.987  -5.310
  433   2HD   ARG  54          1HD       ARG  54  -5.254  -9.179  -6.492
  434    HE   ARG  54           HE       ARG  54  -6.734  -6.789  -6.864
  435   1HH1  ARG  54          1HH2      ARG  54  -3.755  -8.350  -7.520
  436   2HH1  ARG  54          2HH2      ARG  54  -3.217  -7.157  -8.656
  437   1HH2  ARG  54          1HH1      ARG  54  -5.961  -5.090  -8.186
  438   2HH2  ARG  54          2HH1      ARG  54  -4.466  -5.311  -9.033
  439    H    LEU  55           H        LEU  55  -5.786  -9.977  -1.342
  440    HA   LEU  55           HA       LEU  55  -6.887 -12.642  -0.712
  441   1HB   LEU  55          2HB       LEU  55  -4.441 -11.874  -1.467
  442   2HB   LEU  55          1HB       LEU  55  -4.249 -11.715   0.280
  443    HG   LEU  55           HG       LEU  55  -5.510 -14.127   0.122
  444   1HD1  LEU  55          1HD1      LEU  55  -4.708 -13.554  -2.523
  445   2HD1  LEU  55          2HD1      LEU  55  -5.279 -15.101  -1.896
  446   3HD1  LEU  55          3HD1      LEU  55  -3.553 -14.740  -1.916
  447   1HD2  LEU  55          1HD2      LEU  55  -3.597 -13.977   1.467
  448   2HD2  LEU  55          2HD2      LEU  55  -2.615 -13.310   0.163
  449   3HD2  LEU  55          3HD2      LEU  55  -3.039 -15.023   0.160
  450    H    ALA  56           H        ALA  56  -5.394  -9.928   1.057
  451    HA   ALA  56           HA       ALA  56  -5.846 -10.737   3.684
  452   1HB   ALA  56          1HB       ALA  56  -6.430  -7.902   3.006
  453   2HB   ALA  56          2HB       ALA  56  -4.885  -8.545   2.451
  454   3HB   ALA  56          3HB       ALA  56  -5.280  -8.562   4.168
  455    H    HIS  57           H        HIS  57  -8.053  -8.551   1.933
  456    HA   HIS  57           HA       HIS  57 -10.431  -8.469   1.960
  457   1HB   HIS  57          2HB       HIS  57  -9.711 -11.111   2.542
  458   2HB   HIS  57          1HB       HIS  57 -10.830 -10.666   3.829
  459    HD1  HIS  57           1HD      HIS  57 -13.215 -11.045   3.236
  460    HD2  HIS  57           2HD      HIS  57 -10.919 -10.223  -0.146
  461    HE1  HIS  57           1HE      HIS  57 -14.786 -11.177   1.254
  462    H    GLY  58           H        GLY  58  -8.968  -6.857   3.740
  463   1HA   GLY  58          2HA       GLY  58 -10.798  -5.897   5.548
  464   2HA   GLY  58          1HA       GLY  58  -9.978  -7.172   6.436
  465    H    GLY  59           H        GLY  59  -7.489  -7.031   6.210
  466   1HA   GLY  59          2HA       GLY  59  -6.148  -4.612   5.642
  467   2HA   GLY  59          1HA       GLY  59  -6.632  -4.555   7.332
  468    H    GLN  60           H        GLN  60  -5.126  -6.844   5.074
  469    HA   GLN  60           HA       GLN  60  -2.948  -7.306   6.995
  470   1HB   GLN  60          2HB       GLN  60  -4.964  -9.370   6.092
  471   2HB   GLN  60          1HB       GLN  60  -3.415  -9.810   6.810
  472   1HG   GLN  60          2HG       GLN  60  -4.005  -8.371   8.790
  473   2HG   GLN  60          1HG       GLN  60  -5.612  -8.167   8.093
  474   1HE2  GLN  60          1HE2      GLN  60  -7.075  -9.598   9.019
  475   2HE2  GLN  60          2HE2      GLN  60  -6.717 -11.183   9.509
  476    H    VAL  61           H        VAL  61  -1.513  -6.501   5.325
  477    HA   VAL  61           HA       VAL  61  -0.999  -8.450   3.187
  478    HB   VAL  61           HB       VAL  61  -2.174  -5.747   2.917
  479   1HG1  VAL  61          1HG1      VAL  61  -0.158  -5.185   1.815
  480   2HG1  VAL  61          2HG1      VAL  61  -1.207  -5.735   0.507
  481   3HG1  VAL  61          3HG1      VAL  61   0.034  -6.808   1.155
  482   1HG2  VAL  61          1HG2      VAL  61  -2.313  -8.414   1.536
  483   2HG2  VAL  61          2HG2      VAL  61  -2.987  -6.969   0.783
  484   3HG2  VAL  61          3HG2      VAL  61  -3.598  -7.513   2.343
  485    H    ASN  62           H        ASN  62   1.134  -8.301   2.313
  486    HA   ASN  62           HA       ASN  62   3.053  -6.785   4.005
  487   1HB   ASN  62          2HB       ASN  62   2.955  -9.252   2.429
  488   2HB   ASN  62          1HB       ASN  62   4.420  -8.318   2.117
  489   1HD2  ASN  62          1HD2      ASN  62   4.880 -10.675   3.415
  490   2HD2  ASN  62          2HD2      ASN  62   5.187 -10.426   5.065
  491    H    LEU  63           H        LEU  63   2.981  -4.654   3.170
  492    HA   LEU  63           HA       LEU  63   3.282  -4.275   0.265
  493   1HB   LEU  63          2HB       LEU  63   2.785  -1.874   0.998
  494   2HB   LEU  63          1HB       LEU  63   1.497  -3.050   1.247
  495    HG   LEU  63           HG       LEU  63   3.402  -2.881   3.481
  496   1HD1  LEU  63          1HD1      LEU  63   3.187  -0.476   2.583
  497   2HD1  LEU  63          2HD1      LEU  63   2.793  -0.733   4.282
  498   3HD1  LEU  63          3HD1      LEU  63   1.503  -0.568   3.095
  499   1HD2  LEU  63          1HD2      LEU  63   0.707  -3.613   2.939
  500   2HD2  LEU  63          2HD2      LEU  63   0.666  -2.304   4.120
  501   3HD2  LEU  63          3HD2      LEU  63   1.584  -3.772   4.460
  502    H    ASP  64           H        ASP  64   4.900  -2.746  -0.520
  503    HA   ASP  64           HA       ASP  64   7.249  -2.461   1.271
  504   1HB   ASP  64          2HB       ASP  64   6.850  -3.445  -1.488
  505   2HB   ASP  64          1HB       ASP  64   8.240  -2.379  -1.277
  506    H    MET  65           H        MET  65   7.788  -0.331   1.651
  507    HA   MET  65           HA       MET  65   6.350   1.823   0.318
  508   1HB   MET  65          2HB       MET  65   8.323   1.426   2.505
  509   2HB   MET  65          1HB       MET  65   8.316   3.021   1.751
  510   1HG   MET  65          2HG       MET  65   5.641   1.915   2.353
  511   2HG   MET  65          1HG       MET  65   6.628   2.289   3.766
  512   1HE   MET  65          1HE       MET  65   3.994   5.165   3.138
  513   2HE   MET  65          2HE       MET  65   4.172   3.494   3.668
  514   3HE   MET  65          3HE       MET  65   3.818   3.840   1.978
  515    H    GLU  66           H        GLU  66   7.433   3.580  -0.870
  516    HA   GLU  66           HA       GLU  66  10.068   2.952  -2.027
  517   1HB   GLU  66          2HB       GLU  66   7.493   3.357  -3.567
  518   2HB   GLU  66          1HB       GLU  66   9.088   3.290  -4.313
  519   1HG   GLU  66          2HG       GLU  66   7.789   1.086  -2.685
  520   2HG   GLU  66          1HG       GLU  66   8.019   1.088  -4.433
  521    H    ASP  67           H        ASP  67  11.205   4.824  -1.720
  522    HA   ASP  67           HA       ASP  67   9.854   7.387  -1.427
  523   1HB   ASP  67          2HB       ASP  67  12.426   6.134  -0.864
  524   2HB   ASP  67          1HB       ASP  67  12.615   7.771  -1.495
  525    H    HIS  68           H        HIS  68   9.303   8.549  -3.231
  526    HA   HIS  68           HA       HIS  68  11.299   8.994  -5.353
  527   1HB   HIS  68          2HB       HIS  68   8.655   7.569  -5.798
  528   2HB   HIS  68          1HB       HIS  68   9.688   8.166  -7.098
  529    HD1  HIS  68           1HD      HIS  68  12.273   7.187  -6.960
  530    HD2  HIS  68           2HD      HIS  68   9.310   5.006  -4.999
  531    HE1  HIS  68           1HE      HIS  68  13.224   4.873  -6.574
  532    H    ARG  69           H        ARG  69  10.549  10.998  -3.824
  533    HA   ARG  69           HA       ARG  69   8.063  12.271  -4.561
  534   1HB   ARG  69          2HB       ARG  69  10.339  13.825  -3.441
  535   2HB   ARG  69          1HB       ARG  69   8.654  13.797  -2.933
  536   1HG   ARG  69          2HG       ARG  69  10.860  11.857  -2.253
  537   2HG   ARG  69          1HG       ARG  69   9.789  12.730  -1.163
  538   1HD   ARG  69          2HD       ARG  69   9.248  10.235  -2.745
  539   2HD   ARG  69          1HD       ARG  69   8.797  10.631  -1.082
  540    HE   ARG  69           HE       ARG  69   7.334  11.465  -3.507
  541   1HH1  ARG  69          1HH1      ARG  69   6.330  10.296  -0.824
  542   2HH1  ARG  69          2HH1      ARG  69   5.505  11.671  -0.171
  543   1HH2  ARG  69          1HH2      ARG  69   6.961  13.918  -2.365
  544   2HH2  ARG  69          2HH2      ARG  69   5.869  13.717  -1.038
  545    H    ASP  70           H        ASP  70  11.426  13.308  -5.098
  546    HA   ASP  70           HA       ASP  70  10.792  15.246  -7.111
  547   1HB   ASP  70          2HB       ASP  70  13.085  14.045  -5.809
  548   2HB   ASP  70          1HB       ASP  70  13.397  14.222  -7.536
  549    H    GLU  71           H        GLU  71  10.583  11.879  -7.206
  550    HA   GLU  71           HA       GLU  71  11.459  11.387  -9.922
  551   1HB   GLU  71          2HB       GLU  71  10.117   9.986  -7.685
  552   2HB   GLU  71          1HB       GLU  71   9.766   9.353  -9.294
  553   1HG   GLU  71          2HG       GLU  71  12.584   9.934  -9.068
  554   2HG   GLU  71          1HG       GLU  71  12.081   8.881  -7.745
  555    H    ASP  72           H        ASP  72   8.170  11.374  -8.508
  556    HA   ASP  72           HA       ASP  72   7.184  12.500 -11.065
  557   1HB   ASP  72          2HB       ASP  72   6.962   9.855 -10.270
  558   2HB   ASP  72          1HB       ASP  72   5.400  10.546  -9.826
  559    H    PHE  73           H        PHE  73   4.690  13.014 -10.725
  560    HA   PHE  73           HA       PHE  73   3.224  14.549  -9.679
  561   1HB   PHE  73          2HB       PHE  73   2.989  12.308  -8.517
  562   2HB   PHE  73          1HB       PHE  73   4.067  12.924  -7.266
  563    HD1  PHE  73           1HD      PHE  73   1.628  12.176  -6.162
  564    HD2  PHE  73           2HD      PHE  73   2.460  15.754  -8.392
  565    HE1  PHE  73           1HE      PHE  73  -0.291  13.304  -5.071
  566    HE2  PHE  73           2HE      PHE  73   0.541  16.880  -7.300
  567    HZ   PHE  73           HZ       PHE  73  -0.835  15.656  -5.639
  568    H    VAL  74           H        VAL  74   5.253  16.104 -10.046
  569    HA   VAL  74           HA       VAL  74   5.559  17.628  -7.552
  570    HB   VAL  74           HB       VAL  74   7.797  16.092  -8.881
  571   1HG1  VAL  74          1HG1      VAL  74   8.836  17.726  -6.807
  572   2HG1  VAL  74          2HG1      VAL  74   7.906  18.786  -7.866
  573   3HG1  VAL  74          3HG1      VAL  74   9.215  17.806  -8.527
  574   1HG2  VAL  74          1HG2      VAL  74   6.924  14.867  -7.076
  575   2HG2  VAL  74          2HG2      VAL  74   6.592  16.317  -6.130
  576   3HG2  VAL  74          3HG2      VAL  74   8.252  15.752  -6.325
  577    H    LYS  75           H        LYS  75   4.285  18.813  -9.424
  578    HA   LYS  75           HA       LYS  75   5.863  19.934 -11.579
  579   1HB   LYS  75          2HB       LYS  75   3.102  20.035 -10.507
  580   2HB   LYS  75          1HB       LYS  75   3.615  21.447 -11.432
  581   1HG   LYS  75          2HG       LYS  75   4.343  18.844 -12.628
  582   2HG   LYS  75          1HG       LYS  75   2.610  19.173 -12.561
  583   1HD   LYS  75          2HD       LYS  75   3.208  20.156 -14.597
  584   2HD   LYS  75          1HD       LYS  75   3.294  21.528 -13.490
  585   1HE   LYS  75          2HE       LYS  75   5.325  21.555 -14.811
  586   2HE   LYS  75          1HE       LYS  75   5.775  20.973 -13.196
  587   1HZ   LYS  75          1HZ       LYS  75   5.891  18.803 -13.901
  588   2HZ   LYS  75          2HZ       LYS  75   6.458  19.608 -15.286
  589   3HZ   LYS  75          3HZ       LYS  75   4.855  19.050 -15.221
  590    HA   PRO  76           HA       PRO  76   5.596  23.939  -8.995
  591   1HB   PRO  76          2HB       PRO  76   4.421  23.815  -6.525
  592   2HB   PRO  76          1HB       PRO  76   3.509  24.141  -8.011
  593   1HG   PRO  76          2HG       PRO  76   3.780  21.606  -6.476
  594   2HG   PRO  76          1HG       PRO  76   2.364  22.284  -7.294
  595   1HD   PRO  76          2HD       PRO  76   3.886  20.277  -8.337
  596   2HD   PRO  76          1HD       PRO  76   2.969  21.431  -9.329
  Start of MODEL    6
    1    H    GLU   1           1HT      GLU   1  13.538 -22.951  -2.150
    2    HA   GLU   1           HA       GLU   1  11.541 -23.985  -1.531
    3   1HB   GLU   1          2HB       GLU   1  14.023 -24.325  -0.028
    4   2HB   GLU   1          1HB       GLU   1  12.623 -24.907   0.874
    5   1HG   GLU   1          2HG       GLU   1  12.514 -25.674  -1.941
    6   2HG   GLU   1          1HG       GLU   1  13.954 -26.297  -1.135
    7    H    ARG   2           H        ARG   2  12.787 -21.939   1.117
    8    HA   ARG   2           HA       ARG   2  10.327 -22.140   2.680
    9   1HB   ARG   2          2HB       ARG   2  12.896 -21.594   3.236
   10   2HB   ARG   2          1HB       ARG   2  12.313 -19.940   3.040
   11   1HG   ARG   2          2HG       ARG   2  12.027 -20.478   5.357
   12   2HG   ARG   2          1HG       ARG   2  10.420 -20.546   4.631
   13   1HD   ARG   2          2HD       ARG   2  10.371 -22.588   5.712
   14   2HD   ARG   2          1HD       ARG   2  11.211 -23.118   4.241
   15    HE   ARG   2           HE       ARG   2  13.098 -23.454   5.610
   16   1HH1  ARG   2          1HH2      ARG   2  10.900 -21.265   7.081
   17   2HH1  ARG   2          2HH2      ARG   2  12.004 -20.772   8.322
   18   1HH2  ARG   2          1HH1      ARG   2  14.635 -22.676   7.107
   19   2HH2  ARG   2          2HH1      ARG   2  14.119 -21.570   8.336
   20    H    ARG   3           H        ARG   3  11.914 -19.216   1.356
   21    HA   ARG   3           HA       ARG   3   9.230 -17.978   1.013
   22   1HB   ARG   3          2HB       ARG   3  11.573 -17.096   2.078
   23   2HB   ARG   3          1HB       ARG   3  11.737 -16.501   0.424
   24   1HG   ARG   3          2HG       ARG   3   9.577 -15.365   0.583
   25   2HG   ARG   3          1HG       ARG   3   9.330 -16.015   2.204
   26   1HD   ARG   3          2HD       ARG   3  11.907 -14.631   1.925
   27   2HD   ARG   3          1HD       ARG   3  10.509 -13.571   1.650
   28    HE   ARG   3           HE       ARG   3   9.930 -15.211   3.900
   29   1HH1  ARG   3          1HH1      ARG   3   9.851 -12.156   3.724
   30   2HH1  ARG   3          2HH1      ARG   3  11.001 -11.727   4.946
   31   1HH2  ARG   3          1HH2      ARG   3  12.380 -14.904   5.135
   32   2HH2  ARG   3          2HH2      ARG   3  12.433 -13.283   5.745
   33    H    ARG   4           H        ARG   4   8.318 -18.073  -0.998
   34    HA   ARG   4           HA       ARG   4  10.067 -18.571  -3.361
   35   1HB   ARG   4          2HB       ARG   4   7.127 -18.860  -2.719
   36   2HB   ARG   4          1HB       ARG   4   7.725 -18.996  -4.372
   37   1HG   ARG   4          2HG       ARG   4   9.478 -20.633  -3.131
   38   2HG   ARG   4          1HG       ARG   4   8.083 -20.843  -2.072
   39   1HD   ARG   4          2HD       ARG   4   6.712 -21.635  -3.851
   40   2HD   ARG   4          1HD       ARG   4   7.848 -21.056  -5.084
   41    HE   ARG   4           HE       ARG   4   8.522 -23.258  -3.166
   42   1HH1  ARG   4          1HH2      ARG   4  10.777 -22.049  -4.709
   43   2HH1  ARG   4          2HH2      ARG   4  10.866 -23.079  -6.098
   44   1HH2  ARG   4          1HH1      ARG   4   7.715 -24.445  -5.617
   45   2HH2  ARG   4          2HH1      ARG   4   9.133 -24.436  -6.613
   46    H    HIS   5           H        HIS   5  10.212 -17.061  -5.025
   47    HA   HIS   5           HA       HIS   5   9.623 -14.312  -4.547
   48   1HB   HIS   5          2HB       HIS   5  11.318 -15.331  -6.113
   49   2HB   HIS   5          1HB       HIS   5   9.989 -15.744  -7.195
   50    HD1  HIS   5           1HD      HIS   5  12.014 -12.857  -5.963
   51    HD2  HIS   5           2HD      HIS   5   8.737 -13.489  -8.461
   52    HE1  HIS   5           1HE      HIS   5  11.641 -10.689  -7.218
   53    H    SER   6           H        SER   6   7.940 -16.711  -6.608
   54    HA   SER   6           HA       SER   6   5.593 -14.844  -6.701
   55   1HB   SER   6          2HB       SER   6   6.370 -15.151  -8.898
   56   2HB   SER   6          1HB       SER   6   6.821 -16.828  -8.604
   57    HG   SER   6           HG       SER   6   4.196 -15.750  -8.764
   58    H    GLY   7           H        GLY   7   6.299 -16.939  -4.618
   59   1HA   GLY   7          2HA       GLY   7   4.513 -19.183  -5.023
   60   2HA   GLY   7          1HA       GLY   7   5.259 -18.725  -3.492
   61    H    GLN   8           H        GLN   8   2.822 -19.481  -3.035
   62    HA   GLN   8           HA       GLN   8   0.741 -17.515  -3.517
   63   1HB   GLN   8          2HB       GLN   8  -0.429 -18.966  -1.785
   64   2HB   GLN   8          1HB       GLN   8   0.203 -19.842  -3.180
   65   1HG   GLN   8          2HG       GLN   8   2.280 -19.651  -1.215
   66   2HG   GLN   8          1HG       GLN   8   0.821 -20.263  -0.431
   67   1HE2  GLN   8          1HE2      GLN   8  -0.361 -21.758  -2.486
   68   2HE2  GLN   8          2HE2      GLN   8   0.671 -23.029  -2.939
   69    H    ASP   9           H        ASP   9   1.107 -15.483  -2.629
   70    HA   ASP   9           HA       ASP   9   1.089 -15.241   0.296
   71   1HB   ASP   9          2HB       ASP   9   3.456 -15.688  -0.188
   72   2HB   ASP   9          1HB       ASP   9   3.474 -14.383  -1.373
   73    H    VAL  10           H        VAL  10   0.668 -13.019   0.940
   74    HA   VAL  10           HA       VAL  10  -0.419 -11.366  -1.256
   75    HB   VAL  10           HB       VAL  10  -1.783 -12.240   0.714
   76   1HG1  VAL  10          1HG1      VAL  10  -0.766  -9.972   2.337
   77   2HG1  VAL  10          2HG1      VAL  10   0.289 -11.381   2.229
   78   3HG1  VAL  10          3HG1      VAL  10  -1.351 -11.553   2.852
   79   1HG2  VAL  10          1HG2      VAL  10  -2.438 -10.313  -0.753
   80   2HG2  VAL  10          2HG2      VAL  10  -1.658  -9.228   0.396
   81   3HG2  VAL  10          3HG2      VAL  10  -3.057 -10.180   0.893
   82    H    HIS  11           H        HIS  11   1.428 -10.191  -1.930
   83    HA   HIS  11           HA       HIS  11   2.588  -8.329   0.119
   84   1HB   HIS  11          2HB       HIS  11   3.910 -10.452  -0.812
   85   2HB   HIS  11          1HB       HIS  11   4.213  -9.374  -2.173
   86    HD1  HIS  11           1HD      HIS  11   6.708  -9.947  -0.790
   87    HD2  HIS  11           2HD      HIS  11   4.139  -7.015   0.682
   88    HE1  HIS  11           1HE      HIS  11   8.112  -8.438   0.684
   89    H    VAL  12           H        VAL  12   3.360  -6.278  -0.840
   90    HA   VAL  12           HA       VAL  12   2.717  -5.723  -3.662
   91    HB   VAL  12           HB       VAL  12   0.558  -5.680  -2.370
   92   1HG1  VAL  12          1HG1      VAL  12   0.639  -3.217  -1.114
   93   2HG1  VAL  12          2HG1      VAL  12   2.206  -3.914  -0.705
   94   3HG1  VAL  12          3HG1      VAL  12   0.724  -4.779  -0.299
   95   1HG2  VAL  12          1HG2      VAL  12   1.462  -2.988  -3.443
   96   2HG2  VAL  12          2HG2      VAL  12  -0.203  -3.560  -3.327
   97   3HG2  VAL  12          3HG2      VAL  12   0.919  -4.336  -4.444
   98    H    VAL  13           H        VAL  13   3.166  -3.366  -4.172
   99    HA   VAL  13           HA       VAL  13   5.278  -2.253  -2.348
  100    HB   VAL  13           HB       VAL  13   5.043  -2.031  -5.366
  101   1HG1  VAL  13          1HG1      VAL  13   7.637  -1.806  -3.950
  102   2HG1  VAL  13          2HG1      VAL  13   6.495  -0.496  -3.652
  103   3HG1  VAL  13          3HG1      VAL  13   7.006  -0.862  -5.300
  104   1HG2  VAL  13          1HG2      VAL  13   6.638  -3.963  -3.654
  105   2HG2  VAL  13          2HG2      VAL  13   6.871  -3.747  -5.388
  106   3HG2  VAL  13          3HG2      VAL  13   5.342  -4.377  -4.775
  107    H    LEU  14           H        LEU  14   4.231  -0.535  -1.333
  108    HA   LEU  14           HA       LEU  14   2.379   1.169  -2.918
  109   1HB   LEU  14          2HB       LEU  14   2.963   1.480   0.007
  110   2HB   LEU  14          1HB       LEU  14   1.436   1.650  -0.850
  111    HG   LEU  14           HG       LEU  14   2.871  -0.920  -0.162
  112   1HD1  LEU  14          1HD1      LEU  14   0.156   0.230   0.541
  113   2HD1  LEU  14          2HD1      LEU  14   1.509  -0.035   1.642
  114   3HD1  LEU  14          3HD1      LEU  14   0.667  -1.411   0.929
  115   1HD2  LEU  14          1HD2      LEU  14   1.347  -0.373  -2.478
  116   2HD2  LEU  14          2HD2      LEU  14   0.282  -1.272  -1.397
  117   3HD2  LEU  14          3HD2      LEU  14   1.836  -1.955  -1.874
  118    H    LYS  15           H        LYS  15   3.364   2.911  -3.895
  119    HA   LYS  15           HA       LYS  15   5.833   4.038  -2.793
  120   1HB   LYS  15          2HB       LYS  15   5.987   3.739  -5.087
  121   2HB   LYS  15          1HB       LYS  15   4.269   4.046  -5.336
  122   1HG   LYS  15          2HG       LYS  15   4.587   6.253  -5.616
  123   2HG   LYS  15          1HG       LYS  15   5.719   6.355  -4.272
  124   1HD   LYS  15          2HD       LYS  15   6.774   6.862  -6.492
  125   2HD   LYS  15          1HD       LYS  15   7.528   5.512  -5.647
  126   1HE   LYS  15          2HE       LYS  15   5.334   4.532  -7.255
  127   2HE   LYS  15          1HE       LYS  15   6.456   5.471  -8.262
  128   1HZ   LYS  15          1HZ       LYS  15   8.218   4.216  -6.813
  129   2HZ   LYS  15          2HZ       LYS  15   7.551   3.480  -8.190
  130   3HZ   LYS  15          3HZ       LYS  15   6.972   3.077  -6.645
  131    H    LEU  16           H        LEU  16   5.980   6.404  -2.417
  132    HA   LEU  16           HA       LEU  16   3.312   7.679  -1.881
  133   1HB   LEU  16          2HB       LEU  16   4.999   6.706   0.004
  134   2HB   LEU  16          1HB       LEU  16   5.633   8.343  -0.152
  135    HG   LEU  16           HG       LEU  16   3.263   9.183   0.117
  136   1HD1  LEU  16          1HD1      LEU  16   1.523   7.742   0.671
  137   2HD1  LEU  16          2HD1      LEU  16   2.612   6.503   1.295
  138   3HD1  LEU  16          3HD1      LEU  16   2.440   6.731  -0.446
  139   1HD2  LEU  16          1HD2      LEU  16   3.214   8.463   2.631
  140   2HD2  LEU  16          2HD2      LEU  16   4.588   9.404   2.049
  141   3HD2  LEU  16          3HD2      LEU  16   4.739   7.659   2.257
  142    H    TRP  17           H        TRP  17   3.111   9.592  -2.951
  143    HA   TRP  17           HA       TRP  17   5.542  10.962  -3.988
  144   1HB   TRP  17          2HB       TRP  17   2.602  11.348  -4.619
  145   2HB   TRP  17          1HB       TRP  17   3.971  11.910  -5.565
  146    HD1  TRP  17           HD       TRP  17   1.801   8.919  -4.980
  147    HE1  TRP  17           1HE      TRP  17   2.549   7.012  -6.505
  148    HE3  TRP  17           3HE      TRP  17   6.154  10.799  -6.763
  149    HZ2  TRP  17           2HZ      TRP  17   4.663   6.332  -8.265
  150    HZ3  TRP  17           3HZ      TRP  17   7.536   9.519  -8.372
  151    HH2  TRP  17           HH       TRP  17   6.786   7.275  -9.127
  152    H    LYS  18           H        LYS  18   5.119  13.492  -4.078
  153    HA   LYS  18           HA       LYS  18   5.356  14.735  -1.665
  154   1HB   LYS  18          2HB       LYS  18   3.872  15.564  -4.162
  155   2HB   LYS  18          1HB       LYS  18   4.148  16.688  -2.831
  156   1HG   LYS  18          2HG       LYS  18   6.640  15.890  -3.030
  157   2HG   LYS  18          1HG       LYS  18   6.154  15.385  -4.649
  158   1HD   LYS  18          2HD       LYS  18   6.038  17.520  -5.403
  159   2HD   LYS  18          1HD       LYS  18   5.223  18.079  -3.941
  160   1HE   LYS  18          2HE       LYS  18   7.380  19.173  -4.002
  161   2HE   LYS  18          1HE       LYS  18   7.496  17.903  -2.769
  162   1HZ   LYS  18          1HZ       LYS  18   8.031  17.089  -5.507
  163   2HZ   LYS  18          2HZ       LYS  18   8.800  16.621  -4.066
  164   3HZ   LYS  18          3HZ       LYS  18   9.197  18.098  -4.804
  165    H    THR  19           H        THR  19   2.164  14.165  -3.200
  166    HA   THR  19           HA       THR  19   0.963  14.086  -0.468
  167    HB   THR  19           HB       THR  19   0.642  16.357  -1.142
  168    HG1  THR  19           1HG      THR  19  -1.303  15.730  -0.479
  169   1HG2  THR  19          1HG2      THR  19  -0.670  16.250  -3.632
  170   2HG2  THR  19          2HG2      THR  19   0.723  15.178  -3.780
  171   3HG2  THR  19          3HG2      THR  19   0.953  16.863  -3.310
  172    H    GLY  20           H        GLY  20   1.589  12.182  -2.765
  173   1HA   GLY  20          2HA       GLY  20  -1.034  10.881  -2.786
  174   2HA   GLY  20          1HA       GLY  20  -0.395  11.296  -4.367
  175    H    PHE  21           H        PHE  21  -0.877   8.633  -3.316
  176    HA   PHE  21           HA       PHE  21   1.946   7.603  -3.318
  177   1HB   PHE  21          2HB       PHE  21   1.039   5.762  -1.907
  178   2HB   PHE  21          1HB       PHE  21   0.819   7.342  -1.155
  179    HD1  PHE  21           1HD      PHE  21  -0.990   5.061  -3.537
  180    HD2  PHE  21           2HD      PHE  21  -1.289   7.833  -0.286
  181    HE1  PHE  21           1HE      PHE  21  -3.417   4.674  -3.434
  182    HE2  PHE  21           2HE      PHE  21  -3.718   7.446  -0.181
  183    HZ   PHE  21           HZ       PHE  21  -4.764   5.866  -1.756
  184    H    SER  22           H        SER  22   2.318   5.688  -4.571
  185    HA   SER  22           HA       SER  22   0.195   5.114  -6.604
  186   1HB   SER  22          2HB       SER  22   2.202   5.823  -7.658
  187   2HB   SER  22          1HB       SER  22   3.205   4.910  -6.539
  188    HG   SER  22           HG       SER  22   1.527   3.944  -8.604
  189    H    LEU  23           H        LEU  23   0.534   2.724  -7.447
  190    HA   LEU  23           HA       LEU  23   1.342   0.740  -5.474
  191   1HB   LEU  23          2HB       LEU  23  -1.183   1.980  -5.228
  192   2HB   LEU  23          1HB       LEU  23  -1.479   0.351  -5.829
  193    HG   LEU  23           HG       LEU  23   0.429   0.809  -3.551
  194   1HD1  LEU  23          1HD1      LEU  23  -2.435   0.089  -3.043
  195   2HD1  LEU  23          2HD1      LEU  23  -2.017   1.788  -3.262
  196   3HD1  LEU  23          3HD1      LEU  23  -1.268   0.855  -1.967
  197   1HD2  LEU  23          1HD2      LEU  23  -1.209  -1.477  -4.651
  198   2HD2  LEU  23          2HD2      LEU  23  -0.551  -1.530  -3.017
  199   3HD2  LEU  23          3HD2      LEU  23   0.534  -1.401  -4.401
  200    H    ASP  24           H        ASP  24   2.233  -0.653  -6.956
  201    HA   ASP  24           HA       ASP  24   2.476  -1.803  -9.040
  202   1HB   ASP  24          2HB       ASP  24   0.440  -3.430  -9.115
  203   2HB   ASP  24          1HB       ASP  24   1.469  -3.445  -7.683
  204    H    ASN  25           H        ASN  25  -0.867  -2.150  -9.644
  205    HA   ASN  25           HA       ASN  25  -0.634  -0.621 -12.142
  206   1HB   ASN  25          2HB       ASN  25  -2.073  -2.835 -11.095
  207   2HB   ASN  25          1HB       ASN  25  -3.250  -1.633 -11.616
  208   1HD2  ASN  25          1HD2      ASN  25  -3.747  -3.245 -13.404
  209   2HD2  ASN  25          2HD2      ASN  25  -2.752  -3.256 -14.781
  210    H    GLY  26           H        GLY  26  -3.461   0.082 -12.240
  211   1HA   GLY  26          2HA       GLY  26  -4.825   1.927 -11.780
  212   2HA   GLY  26          1HA       GLY  26  -4.302   1.746 -10.107
  213    H    ASP  27           H        ASP  27  -4.712   4.265 -11.346
  214    HA   ASP  27           HA       ASP  27  -2.126   5.362 -12.117
  215   1HB   ASP  27          2HB       ASP  27  -4.909   6.426 -11.642
  216   2HB   ASP  27          1HB       ASP  27  -3.563   7.501 -12.025
  217    H    LEU  28           H        LEU  28  -1.939   7.752 -10.843
  218    HA   LEU  28           HA       LEU  28  -1.015   7.036  -8.183
  219   1HB   LEU  28          2HB       LEU  28   0.123   8.620  -9.666
  220   2HB   LEU  28          1HB       LEU  28  -1.293   9.655  -9.613
  221    HG   LEU  28           HG       LEU  28  -0.319   8.915  -6.956
  222   1HD1  LEU  28          1HD1      LEU  28   1.407  10.652  -8.748
  223   2HD1  LEU  28          2HD1      LEU  28   1.839   9.042  -8.172
  224   3HD1  LEU  28          3HD1      LEU  28   1.661  10.368  -7.026
  225   1HD2  LEU  28          1HD2      LEU  28  -0.690  11.644  -8.216
  226   2HD2  LEU  28          2HD2      LEU  28  -0.779  11.226  -6.504
  227   3HD2  LEU  28          3HD2      LEU  28  -2.040  10.684  -7.612
  228    H    ARG  29           H        ARG  29  -2.013   7.509  -6.209
  229    HA   ARG  29           HA       ARG  29  -4.802   8.572  -6.375
  230   1HB   ARG  29          2HB       ARG  29  -3.294   6.613  -4.713
  231   2HB   ARG  29          1HB       ARG  29  -4.580   7.510  -3.904
  232   1HG   ARG  29          2HG       ARG  29  -6.224   6.742  -5.467
  233   2HG   ARG  29          1HG       ARG  29  -4.989   6.093  -6.547
  234   1HD   ARG  29          2HD       ARG  29  -4.452   4.321  -5.032
  235   2HD   ARG  29          1HD       ARG  29  -5.359   5.084  -3.710
  236    HE   ARG  29           HE       ARG  29  -7.436   4.644  -4.991
  237   1HH1  ARG  29          1HH2      ARG  29  -5.545   4.158  -7.500
  238   2HH1  ARG  29          2HH2      ARG  29  -5.889   2.483  -7.771
  239   1HH2  ARG  29          1HH1      ARG  29  -7.450   2.033  -4.708
  240   2HH2  ARG  29          2HH1      ARG  29  -6.967   1.279  -6.190
  241    H    SER  30           H        SER  30  -5.439  10.279  -4.980
  242    HA   SER  30           HA       SER  30  -3.235  12.008  -4.026
  243   1HB   SER  30          2HB       SER  30  -5.786  12.319  -5.186
  244   2HB   SER  30          1HB       SER  30  -5.936  12.946  -3.549
  245    HG   SER  30           HG       SER  30  -3.697  13.611  -5.111
  246    H    TYR  31           H        TYR  31  -2.708  12.188  -1.878
  247    HA   TYR  31           HA       TYR  31  -3.337  10.514   0.189
  248   1HB   TYR  31          2HB       TYR  31  -2.637  13.392  -0.062
  249   2HB   TYR  31          1HB       TYR  31  -3.184  12.865   1.526
  250    HD1  TYR  31           1HD      TYR  31  -0.732  13.617   2.059
  251    HD2  TYR  31           2HD      TYR  31  -1.727  10.143  -0.266
  252    HE1  TYR  31           1HE      TYR  31   1.512  12.669   2.511
  253    HE2  TYR  31           2HE      TYR  31   0.522   9.198   0.186
  254    HH   TYR  31           HH       TYR  31   3.040  11.072   1.629
  255    H    GLN  32           H        GLN  32  -5.451  13.054  -1.054
  256    HA   GLN  32           HA       GLN  32  -7.307  12.961   1.168
  257   1HB   GLN  32          2HB       GLN  32  -6.736  14.558  -1.082
  258   2HB   GLN  32          1HB       GLN  32  -8.391  13.989  -1.301
  259   1HG   GLN  32          2HG       GLN  32  -8.951  15.699   0.082
  260   2HG   GLN  32          1HG       GLN  32  -8.374  14.640   1.367
  261   1HE2  GLN  32          1HE2      GLN  32  -5.571  14.758   0.884
  262   2HE2  GLN  32          2HE2      GLN  32  -5.034  16.343   1.163
  263    H    ASP  33           H        ASP  33  -7.190  11.535  -2.071
  264    HA   ASP  33           HA       ASP  33  -9.681  10.521  -2.540
  265   1HB   ASP  33          2HB       ASP  33  -8.211   9.750  -4.101
  266   2HB   ASP  33          1HB       ASP  33  -6.897   9.630  -2.932
  267    HA   PRO  34           HA       PRO  34 -10.871   7.861   0.759
  268   1HB   PRO  34          2HB       PRO  34 -12.354   5.999  -0.584
  269   2HB   PRO  34          1HB       PRO  34 -12.914   7.661  -0.313
  270   1HG   PRO  34          2HG       PRO  34 -11.754   6.429  -2.756
  271   2HG   PRO  34          1HG       PRO  34 -13.039   7.635  -2.600
  272   1HD   PRO  34          2HD       PRO  34 -10.455   8.225  -3.297
  273   2HD   PRO  34          1HD       PRO  34 -11.569   9.377  -2.531
  274    H    SER  35           H        SER  35  -9.659   6.157  -2.146
  275    HA   SER  35           HA       SER  35  -9.078   3.633  -1.161
  276   1HB   SER  35          2HB       SER  35  -8.459   5.107  -3.371
  277   2HB   SER  35          1HB       SER  35  -6.875   4.986  -2.616
  278    HG   SER  35           HG       SER  35  -6.851   2.902  -3.004
  279    H    ASN  36           H        ASN  36  -7.590   6.671  -0.266
  280    HA   ASN  36           HA       ASN  36  -5.208   5.677   0.953
  281   1HB   ASN  36          2HB       ASN  36  -6.797   8.074   1.863
  282   2HB   ASN  36          1HB       ASN  36  -5.045   7.884   1.810
  283   1HD2  ASN  36          1HD2      ASN  36  -6.613  10.019   0.495
  284   2HD2  ASN  36          2HD2      ASN  36  -6.302   9.878  -1.168
  285    H    ALA  37           H        ALA  37  -8.459   5.242   1.811
  286    HA   ALA  37           HA       ALA  37  -8.475   5.408   4.628
  287   1HB   ALA  37          1HB       ALA  37 -10.440   4.100   4.420
  288   2HB   ALA  37          2HB       ALA  37  -9.803   3.211   3.036
  289   3HB   ALA  37          3HB       ALA  37 -10.308   4.891   2.846
  290    H    GLN  38           H        GLN  38  -7.806   2.552   2.581
  291    HA   GLN  38           HA       GLN  38  -6.621   1.131   4.886
  292   1HB   GLN  38          2HB       GLN  38  -8.076   0.333   2.747
  293   2HB   GLN  38          1HB       GLN  38  -6.454   0.077   2.106
  294   1HG   GLN  38          2HG       GLN  38  -7.403  -1.939   3.291
  295   2HG   GLN  38          1HG       GLN  38  -5.878  -1.373   3.970
  296   1HE2  GLN  38          1HE2      GLN  38  -9.131   0.071   4.439
  297   2HE2  GLN  38          2HE2      GLN  38  -9.164  -0.167   6.119
  298    H    PHE  39           H        PHE  39  -5.591   2.805   1.948
  299    HA   PHE  39           HA       PHE  39  -2.877   1.887   1.920
  300   1HB   PHE  39          2HB       PHE  39  -4.237   3.235   0.173
  301   2HB   PHE  39          1HB       PHE  39  -3.793   4.650   1.128
  302    HD1  PHE  39           1HD      PHE  39  -1.146   4.473   1.936
  303    HD2  PHE  39           2HD      PHE  39  -2.844   2.872  -1.677
  304    HE1  PHE  39           1HE      PHE  39   1.087   4.513   0.864
  305    HE2  PHE  39           2HE      PHE  39  -0.606   2.911  -2.740
  306    HZ   PHE  39           HZ       PHE  39   1.358   3.732  -1.472
  307    H    LEU  40           H        LEU  40  -4.247   4.917   3.225
  308    HA   LEU  40           HA       LEU  40  -1.842   5.692   4.555
  309   1HB   LEU  40          2HB       LEU  40  -4.307   6.687   3.788
  310   2HB   LEU  40          1HB       LEU  40  -4.333   6.751   5.537
  311    HG   LEU  40           HG       LEU  40  -2.510   8.228   5.640
  312   1HD1  LEU  40          1HD1      LEU  40  -1.338   8.561   3.189
  313   2HD1  LEU  40          2HD1      LEU  40  -1.747   6.846   3.132
  314   3HD1  LEU  40          3HD1      LEU  40  -0.724   7.465   4.428
  315   1HD2  LEU  40          1HD2      LEU  40  -4.080   9.669   4.783
  316   2HD2  LEU  40          2HD2      LEU  40  -4.344   8.677   3.348
  317   3HD2  LEU  40          3HD2      LEU  40  -2.930   9.729   3.445
  318    H    GLU  41           H        GLU  41  -4.944   4.442   5.812
  319    HA   GLU  41           HA       GLU  41  -3.955   4.242   8.512
  320   1HB   GLU  41          2HB       GLU  41  -6.165   4.025   8.926
  321   2HB   GLU  41          1HB       GLU  41  -6.391   4.298   7.202
  322   1HG   GLU  41          2HG       GLU  41  -6.462   1.943   6.749
  323   2HG   GLU  41          1HG       GLU  41  -5.906   1.548   8.375
  324    H    SER  42           H        SER  42  -4.803   1.730   6.115
  325    HA   SER  42           HA       SER  42  -3.953  -0.467   7.708
  326   1HB   SER  42          2HB       SER  42  -5.219  -0.070   5.311
  327   2HB   SER  42          1HB       SER  42  -3.671  -0.733   4.791
  328    HG   SER  42           HG       SER  42  -5.080  -1.901   6.929
  329    H    ILE  43           H        ILE  43  -2.167   1.493   5.323
  330    HA   ILE  43           HA       ILE  43   0.198  -0.077   5.296
  331    HB   ILE  43           HB       ILE  43  -0.535   2.745   4.754
  332   1HG1  ILE  43          2HG1      ILE  43   0.113   0.281   3.180
  333   2HG1  ILE  43          1HG1      ILE  43  -1.243   1.391   2.989
  334   1HG2  ILE  43          1HG2      ILE  43   1.712   3.162   3.913
  335   2HG2  ILE  43          2HG2      ILE  43   2.210   1.547   4.418
  336   3HG2  ILE  43          3HG2      ILE  43   1.769   2.753   5.626
  337   1HD1  ILE  43          1HD1      ILE  43   1.604   1.720   2.085
  338   2HD1  ILE  43          2HD1      ILE  43   0.600   3.139   2.376
  339   3HD1  ILE  43          3HD1      ILE  43   0.117   1.950   1.166
  340    H    ARG  44           H        ARG  44  -0.719   2.767   7.226
  341    HA   ARG  44           HA       ARG  44   1.623   3.095   8.741
  342   1HB   ARG  44          2HB       ARG  44   0.204   4.715   9.441
  343   2HB   ARG  44          1HB       ARG  44  -1.179   3.822   8.810
  344   1HG   ARG  44          2HG       ARG  44  -1.098   2.397  10.885
  345   2HG   ARG  44          1HG       ARG  44   0.120   3.497  11.525
  346   1HD   ARG  44          2HD       ARG  44  -1.412   5.334  11.565
  347   2HD   ARG  44          1HD       ARG  44  -2.588   4.463  10.559
  348    HE   ARG  44           HE       ARG  44  -1.820   3.389  13.240
  349   1HH1  ARG  44          1HH2      ARG  44  -4.102   5.210  11.509
  350   2HH1  ARG  44          2HH2      ARG  44  -5.483   4.398  12.164
  351   1HH2  ARG  44          1HH1      ARG  44  -3.612   2.014  13.850
  352   2HH2  ARG  44          2HH1      ARG  44  -5.205   2.587  13.490
  353    H    ARG  45           H        ARG  45  -1.082   0.862   9.228
  354    HA   ARG  45           HA       ARG  45   0.104  -0.332  11.607
  355   1HB   ARG  45          2HB       ARG  45  -2.408  -0.286  10.156
  356   2HB   ARG  45          1HB       ARG  45  -1.969  -1.937  10.593
  357   1HG   ARG  45          2HG       ARG  45  -1.385  -0.726  12.921
  358   2HG   ARG  45          1HG       ARG  45  -2.643   0.368  12.349
  359   1HD   ARG  45          2HD       ARG  45  -3.599  -1.488  13.712
  360   2HD   ARG  45          1HD       ARG  45  -4.173  -1.563  12.032
  361    HE   ARG  45           HE       ARG  45  -1.761  -3.028  12.135
  362   1HH1  ARG  45          1HH2      ARG  45  -4.748  -3.830  11.491
  363   2HH1  ARG  45          2HH2      ARG  45  -4.880  -5.232  12.501
  364   1HH2  ARG  45          1HH1      ARG  45  -2.000  -4.536  14.300
  365   2HH2  ARG  45          2HH1      ARG  45  -3.325  -5.631  14.090
  366    H    GLY  46           H        GLY  46   0.303  -0.767   8.199
  367   1HA   GLY  46          2HA       GLY  46   2.113  -2.167   7.318
  368   2HA   GLY  46          1HA       GLY  46   1.757  -3.301   8.608
  369    H    GLU  47           H        GLU  47  -0.223  -1.670   6.143
  370    HA   GLU  47           HA       GLU  47  -1.022  -4.313   5.050
  371   1HB   GLU  47          2HB       GLU  47  -2.745  -2.358   6.554
  372   2HB   GLU  47          1HB       GLU  47  -3.463  -3.402   5.326
  373   1HG   GLU  47          2HG       GLU  47  -3.546  -5.050   6.850
  374   2HG   GLU  47          1HG       GLU  47  -1.784  -5.068   6.867
  375    H    VAL  48           H        VAL  48  -1.880  -4.143   2.917
  376    HA   VAL  48           HA       VAL  48  -1.461  -1.521   1.618
  377    HB   VAL  48           HB       VAL  48  -0.098  -3.120   0.594
  378   1HG1  VAL  48          1HG1      VAL  48  -0.939  -5.434   0.072
  379   2HG1  VAL  48          2HG1      VAL  48  -2.411  -5.040   0.954
  380   3HG1  VAL  48          3HG1      VAL  48  -0.862  -5.072   1.794
  381   1HG2  VAL  48          1HG2      VAL  48  -1.425  -2.051  -1.141
  382   2HG2  VAL  48          2HG2      VAL  48  -2.744  -3.194  -0.886
  383   3HG2  VAL  48          3HG2      VAL  48  -1.213  -3.748  -1.564
  384    HA   PRO  49           HA       PRO  49  -5.793  -1.168   0.996
  385   1HB   PRO  49          2HB       PRO  49  -5.785   0.624  -1.062
  386   2HB   PRO  49          1HB       PRO  49  -5.399   1.067   0.613
  387   1HG   PRO  49          2HG       PRO  49  -3.574   0.560  -1.678
  388   2HG   PRO  49          1HG       PRO  49  -3.457   1.753  -0.382
  389   1HD   PRO  49          2HD       PRO  49  -2.021  -0.571  -0.440
  390   2HD   PRO  49          1HD       PRO  49  -2.436   0.300   1.049
  391    H    ALA  50           H        ALA  50  -3.743  -1.982  -1.781
  392    HA   ALA  50           HA       ALA  50  -6.142  -2.947  -3.268
  393   1HB   ALA  50          1HB       ALA  50  -3.257  -2.358  -3.934
  394   2HB   ALA  50          2HB       ALA  50  -4.709  -1.570  -4.556
  395   3HB   ALA  50          3HB       ALA  50  -4.307  -3.209  -5.068
  396    H    GLU  51           H        GLU  51  -2.816  -4.194  -2.792
  397    HA   GLU  51           HA       GLU  51  -3.363  -6.875  -3.469
  398   1HB   GLU  51          2HB       GLU  51  -1.129  -6.029  -3.323
  399   2HB   GLU  51          1HB       GLU  51  -1.346  -5.569  -1.635
  400   1HG   GLU  51          2HG       GLU  51  -0.106  -7.608  -1.589
  401   2HG   GLU  51          1HG       GLU  51  -1.759  -8.046  -1.158
  402    H    LEU  52           H        LEU  52  -4.199  -5.178  -0.514
  403    HA   LEU  52           HA       LEU  52  -4.398  -7.612   1.067
  404   1HB   LEU  52          2HB       LEU  52  -4.788  -6.129   2.793
  405   2HB   LEU  52          1HB       LEU  52  -4.022  -5.033   1.650
  406    HG   LEU  52           HG       LEU  52  -7.000  -5.465   1.849
  407   1HD1  LEU  52          1HD1      LEU  52  -5.910  -2.850   2.607
  408   2HD1  LEU  52          2HD1      LEU  52  -5.406  -4.152   3.684
  409   3HD1  LEU  52          3HD1      LEU  52  -7.122  -3.835   3.427
  410   1HD2  LEU  52          1HD2      LEU  52  -5.324  -4.165  -0.082
  411   2HD2  LEU  52          2HD2      LEU  52  -6.327  -2.967   0.728
  412   3HD2  LEU  52          3HD2      LEU  52  -7.079  -4.337  -0.085
  413    H    ARG  53           H        ARG  53  -6.495  -5.725  -0.992
  414    HA   ARG  53           HA       ARG  53  -8.937  -6.948  -0.041
  415   1HB   ARG  53          2HB       ARG  53  -9.014  -4.777  -1.099
  416   2HB   ARG  53          1HB       ARG  53  -8.129  -5.374  -2.502
  417   1HG   ARG  53          2HG       ARG  53 -10.283  -7.089  -2.404
  418   2HG   ARG  53          1HG       ARG  53 -10.996  -5.563  -1.883
  419   1HD   ARG  53          2HD       ARG  53 -11.190  -5.359  -4.206
  420   2HD   ARG  53          1HD       ARG  53  -9.600  -4.609  -3.952
  421    HE   ARG  53           HE       ARG  53  -9.798  -7.539  -4.503
  422   1HH1  ARG  53          1HH1      ARG  53  -7.131  -6.249  -4.166
  423   2HH1  ARG  53          2HH1      ARG  53  -6.658  -5.940  -5.803
  424   1HH2  ARG  53          1HH2      ARG  53  -9.859  -6.331  -7.080
  425   2HH2  ARG  53          2HH2      ARG  53  -8.203  -5.986  -7.453
  426    H    ARG  54           H        ARG  54  -6.455  -7.613  -2.396
  427    HA   ARG  54           HA       ARG  54  -7.857  -9.603  -3.920
  428   1HB   ARG  54          2HB       ARG  54  -5.281  -8.338  -3.755
  429   2HB   ARG  54          1HB       ARG  54  -5.063 -10.081  -3.920
  430   1HG   ARG  54          2HG       ARG  54  -6.243 -10.158  -5.960
  431   2HG   ARG  54          1HG       ARG  54  -7.003  -8.591  -5.683
  432   1HD   ARG  54          2HD       ARG  54  -4.975  -7.411  -6.129
  433   2HD   ARG  54          1HD       ARG  54  -4.006  -8.892  -6.019
  434    HE   ARG  54           HE       ARG  54  -5.241  -8.026  -8.398
  435   1HH1  ARG  54          1HH1      ARG  54  -3.613 -10.630  -7.526
  436   2HH1  ARG  54          2HH1      ARG  54  -4.618 -11.825  -8.276
  437   1HH2  ARG  54          1HH2      ARG  54  -7.239  -9.633  -8.867
  438   2HH2  ARG  54          2HH2      ARG  54  -6.671 -11.261  -9.035
  439    H    LEU  55           H        LEU  55  -5.269  -9.993  -1.480
  440    HA   LEU  55           HA       LEU  55  -6.145 -12.777  -1.073
  441   1HB   LEU  55          2HB       LEU  55  -3.698 -11.518  -1.387
  442   2HB   LEU  55          1HB       LEU  55  -3.765 -11.877   0.339
  443    HG   LEU  55           HG       LEU  55  -2.779 -13.774  -0.845
  444   1HD1  LEU  55          1HD1      LEU  55  -5.630 -14.484  -0.117
  445   2HD1  LEU  55          2HD1      LEU  55  -4.394 -14.124   1.087
  446   3HD1  LEU  55          3HD1      LEU  55  -4.201 -15.508   0.012
  447   1HD2  LEU  55          1HD2      LEU  55  -3.524 -14.471  -2.863
  448   2HD2  LEU  55          2HD2      LEU  55  -4.572 -13.054  -2.865
  449   3HD2  LEU  55          3HD2      LEU  55  -5.182 -14.602  -2.278
  450    H    ALA  56           H        ALA  56  -5.123 -10.028   0.955
  451    HA   ALA  56           HA       ALA  56  -5.772 -11.050   3.479
  452   1HB   ALA  56          1HB       ALA  56  -6.455  -8.352   3.559
  453   2HB   ALA  56          2HB       ALA  56  -5.345  -8.475   2.197
  454   3HB   ALA  56          3HB       ALA  56  -4.838  -9.018   3.794
  455    H    HIS  57           H        HIS  57  -7.916  -9.015   1.483
  456    HA   HIS  57           HA       HIS  57 -10.290  -9.093   1.278
  457   1HB   HIS  57          2HB       HIS  57 -10.108 -11.345   3.289
  458   2HB   HIS  57          1HB       HIS  57 -11.422 -11.028   2.162
  459    HD1  HIS  57           1HD      HIS  57 -10.035 -13.757   2.061
  460    HD2  HIS  57           2HD      HIS  57  -8.838 -10.503  -0.253
  461    HE1  HIS  57           1HE      HIS  57  -8.786 -14.712   0.075
  462    H    GLY  58           H        GLY  58  -9.036  -7.300   3.081
  463   1HA   GLY  58          2HA       GLY  58 -11.109  -6.337   4.639
  464   2HA   GLY  58          1HA       GLY  58 -10.268  -7.470   5.687
  465    H    GLY  59           H        GLY  59  -7.793  -7.136   5.665
  466   1HA   GLY  59          2HA       GLY  59  -6.557  -4.713   4.975
  467   2HA   GLY  59          1HA       GLY  59  -7.281  -4.454   6.552
  468    H    GLN  60           H        GLN  60  -5.377  -7.011   4.967
  469    HA   GLN  60           HA       GLN  60  -3.396  -6.853   7.128
  470   1HB   GLN  60          2HB       GLN  60  -5.365  -9.061   6.693
  471   2HB   GLN  60          1HB       GLN  60  -3.756  -9.479   7.283
  472   1HG   GLN  60          2HG       GLN  60  -4.119  -7.610   9.030
  473   2HG   GLN  60          1HG       GLN  60  -5.822  -7.702   8.581
  474   1HE2  GLN  60          1HE2      GLN  60  -3.353  -9.189  10.484
  475   2HE2  GLN  60          2HE2      GLN  60  -4.246 -10.544  10.979
  476    H    VAL  61           H        VAL  61  -1.931  -6.288   5.341
  477    HA   VAL  61           HA       VAL  61  -0.921  -8.664   3.949
  478    HB   VAL  61           HB       VAL  61  -2.080  -6.226   2.603
  479   1HG1  VAL  61          1HG1      VAL  61  -0.302  -8.408   1.472
  480   2HG1  VAL  61          2HG1      VAL  61   0.045  -6.679   1.517
  481   3HG1  VAL  61          3HG1      VAL  61  -1.245  -7.294   0.482
  482   1HG2  VAL  61          1HG2      VAL  61  -2.745  -9.120   2.854
  483   2HG2  VAL  61          2HG2      VAL  61  -3.050  -8.358   1.294
  484   3HG2  VAL  61          3HG2      VAL  61  -3.817  -7.723   2.748
  485    H    ASN  62           H        ASN  62   1.268  -8.410   3.203
  486    HA   ASN  62           HA       ASN  62   2.782  -6.325   4.620
  487   1HB   ASN  62          2HB       ASN  62   3.218  -8.876   3.209
  488   2HB   ASN  62          1HB       ASN  62   4.517  -7.706   2.969
  489   1HD2  ASN  62          1HD2      ASN  62   6.038  -7.563   4.635
  490   2HD2  ASN  62          2HD2      ASN  62   5.814  -8.173   6.204
  491    H    LEU  63           H        LEU  63   3.825  -4.557   3.588
  492    HA   LEU  63           HA       LEU  63   3.399  -4.267   0.678
  493   1HB   LEU  63          2HB       LEU  63   3.006  -1.792   1.405
  494   2HB   LEU  63          1HB       LEU  63   1.696  -2.950   1.603
  495    HG   LEU  63           HG       LEU  63   3.561  -2.839   3.879
  496   1HD1  LEU  63          1HD1      LEU  63   2.913  -0.692   4.704
  497   2HD1  LEU  63          2HD1      LEU  63   1.716  -0.487   3.425
  498   3HD1  LEU  63          3HD1      LEU  63   3.436  -0.429   3.040
  499   1HD2  LEU  63          1HD2      LEU  63   0.911  -3.606   3.313
  500   2HD2  LEU  63          2HD2      LEU  63   0.777  -2.216   4.389
  501   3HD2  LEU  63          3HD2      LEU  63   1.704  -3.630   4.890
  502    H    ASP  64           H        ASP  64   4.931  -2.779  -0.339
  503    HA   ASP  64           HA       ASP  64   7.420  -2.392   1.227
  504   1HB   ASP  64          2HB       ASP  64   6.881  -3.080  -1.666
  505   2HB   ASP  64          1HB       ASP  64   8.473  -2.573  -1.099
  506    H    MET  65           H        MET  65   7.801  -0.235   1.602
  507    HA   MET  65           HA       MET  65   6.326   1.840   0.185
  508   1HB   MET  65          2HB       MET  65   7.564   1.524   2.622
  509   2HB   MET  65          1HB       MET  65   8.700   2.574   1.776
  510   1HG   MET  65          2HG       MET  65   7.282   4.340   1.830
  511   2HG   MET  65          1HG       MET  65   5.895   3.347   1.386
  512   1HE   MET  65          1HE       MET  65   4.233   2.686   2.602
  513   2HE   MET  65          2HE       MET  65   4.058   4.347   3.166
  514   3HE   MET  65          3HE       MET  65   3.897   3.013   4.309
  515    H    GLU  66           H        GLU  66   7.033   3.051  -1.550
  516    HA   GLU  66           HA       GLU  66   9.767   2.525  -2.565
  517   1HB   GLU  66          2HB       GLU  66   7.080   2.999  -3.797
  518   2HB   GLU  66          1HB       GLU  66   8.525   3.410  -4.722
  519   1HG   GLU  66          2HG       GLU  66   7.915   0.702  -3.498
  520   2HG   GLU  66          1HG       GLU  66   7.825   1.105  -5.213
  521    H    ASP  67           H        ASP  67  11.130   4.247  -2.301
  522    HA   ASP  67           HA       ASP  67  10.100   6.906  -1.701
  523   1HB   ASP  67          2HB       ASP  67  11.995   6.080  -0.481
  524   2HB   ASP  67          1HB       ASP  67  12.838   5.653  -1.971
  525    H    HIS  68           H        HIS  68   9.304   7.980  -3.514
  526    HA   HIS  68           HA       HIS  68  11.221   8.503  -5.722
  527   1HB   HIS  68          2HB       HIS  68   8.504   7.190  -5.941
  528   2HB   HIS  68          1HB       HIS  68   9.288   7.954  -7.322
  529    HD1  HIS  68           1HD      HIS  68  10.986   6.579  -8.556
  530    HD2  HIS  68           2HD      HIS  68  10.160   5.011  -4.782
  531    HE1  HIS  68           1HE      HIS  68  12.219   4.371  -8.412
  532    H    ARG  69           H        ARG  69  10.643  10.416  -3.923
  533    HA   ARG  69           HA       ARG  69   8.250  11.920  -4.538
  534   1HB   ARG  69          2HB       ARG  69  10.599  13.202  -3.241
  535   2HB   ARG  69          1HB       ARG  69   8.908  13.220  -2.751
  536   1HG   ARG  69          2HG       ARG  69  10.983  11.083  -2.271
  537   2HG   ARG  69          1HG       ARG  69   9.970  11.913  -1.095
  538   1HD   ARG  69          2HD       ARG  69   9.274   9.628  -2.912
  539   2HD   ARG  69          1HD       ARG  69   8.819   9.901  -1.224
  540    HE   ARG  69           HE       ARG  69   7.440  11.009  -3.573
  541   1HH1  ARG  69          1HH1      ARG  69   6.547   9.873  -0.759
  542   2HH1  ARG  69          2HH1      ARG  69   5.778  11.287  -0.120
  543   1HH2  ARG  69          1HH2      ARG  69   7.110  13.417  -2.505
  544   2HH2  ARG  69          2HH2      ARG  69   6.103  13.288  -1.102
  545    H    ASP  70           H        ASP  70  11.711  12.434  -5.168
  546    HA   ASP  70           HA       ASP  70  11.202  14.705  -6.941
  547   1HB   ASP  70          2HB       ASP  70  13.675  13.001  -6.483
  548   2HB   ASP  70          1HB       ASP  70  13.642  14.611  -7.204
  549    H    GLU  71           H        GLU  71  10.477  11.571  -7.361
  550    HA   GLU  71           HA       GLU  71  11.604  11.235 -10.077
  551   1HB   GLU  71          2HB       GLU  71  10.316   9.586  -7.968
  552   2HB   GLU  71          1HB       GLU  71  10.053   9.067  -9.633
  553   1HG   GLU  71          2HG       GLU  71  12.078   8.077  -9.524
  554   2HG   GLU  71          1HG       GLU  71  12.770   9.699  -9.540
  555    H    ASP  72           H        ASP  72   8.367  11.167  -8.555
  556    HA   ASP  72           HA       ASP  72   7.280  12.270 -11.081
  557   1HB   ASP  72          2HB       ASP  72   7.061   9.639 -10.231
  558   2HB   ASP  72          1HB       ASP  72   5.529  10.358  -9.733
  559    H    PHE  73           H        PHE  73   4.790  12.794 -10.608
  560    HA   PHE  73           HA       PHE  73   3.450  14.426  -9.518
  561   1HB   PHE  73          2HB       PHE  73   3.179  12.133  -8.412
  562   2HB   PHE  73          1HB       PHE  73   4.238  12.732  -7.138
  563    HD1  PHE  73           1HD      PHE  73   1.732  11.969  -6.141
  564    HD2  PHE  73           2HD      PHE  73   2.717  15.603  -8.211
  565    HE1  PHE  73           1HE      PHE  73  -0.199  13.102  -5.075
  566    HE2  PHE  73           2HE      PHE  73   0.786  16.734  -7.143
  567    HZ   PHE  73           HZ       PHE  73  -0.671  15.484  -5.575
  568    H    VAL  74           H        VAL  74   5.274  16.073  -9.832
  569    HA   VAL  74           HA       VAL  74   6.358  16.913  -7.161
  570    HB   VAL  74           HB       VAL  74   7.596  17.097  -9.930
  571   1HG1  VAL  74          1HG1      VAL  74   9.278  18.382  -9.051
  572   2HG1  VAL  74          2HG1      VAL  74   9.162  17.631  -7.460
  573   3HG1  VAL  74          3HG1      VAL  74   8.005  18.874  -7.933
  574   1HG2  VAL  74          1HG2      VAL  74   9.333  15.658  -8.457
  575   2HG2  VAL  74          2HG2      VAL  74   8.019  14.907  -9.363
  576   3HG2  VAL  74          3HG2      VAL  74   7.838  15.209  -7.635
  577    H    LYS  75           H        LYS  75   4.926  18.591  -6.681
  578    HA   LYS  75           HA       LYS  75   3.474  20.287  -8.293
  579   1HB   LYS  75          2HB       LYS  75   4.769  20.394  -5.649
  580   2HB   LYS  75          1HB       LYS  75   4.427  21.982  -6.336
  581   1HG   LYS  75          2HG       LYS  75   2.329  19.819  -6.355
  582   2HG   LYS  75          1HG       LYS  75   2.567  20.831  -4.930
  583   1HD   LYS  75          2HD       LYS  75   2.268  22.853  -6.346
  584   2HD   LYS  75          1HD       LYS  75   1.945  21.810  -7.732
  585   1HE   LYS  75          2HE       LYS  75   0.322  21.875  -5.160
  586   2HE   LYS  75          1HE       LYS  75  -0.185  22.536  -6.728
  587   1HZ   LYS  75          1HZ       LYS  75  -1.053  20.378  -6.703
  588   2HZ   LYS  75          2HZ       LYS  75   0.350  19.713  -6.013
  589   3HZ   LYS  75          3HZ       LYS  75   0.360  20.239  -7.630
  590    HA   PRO  76           HA       PRO  76   6.944  22.058 -10.584
  591   1HB   PRO  76          2HB       PRO  76   5.405  22.968 -12.655
  592   2HB   PRO  76          1HB       PRO  76   5.957  21.284 -12.528
  593   1HG   PRO  76          2HG       PRO  76   3.300  22.458 -11.893
  594   2HG   PRO  76          1HG       PRO  76   3.700  20.897 -12.623
  595   1HD   PRO  76          2HD       PRO  76   2.983  21.217 -10.001
  596   2HD   PRO  76          1HD       PRO  76   3.988  19.880 -10.598
  Start of MODEL    7
    1    H    GLU   1           1HT      GLU   1  14.688 -13.125  -8.017
    2    HA   GLU   1           HA       GLU   1  13.928 -12.443  -5.998
    3   1HB   GLU   1          2HB       GLU   1  15.596 -12.173  -4.109
    4   2HB   GLU   1          1HB       GLU   1  15.558 -13.788  -4.818
    5   1HG   GLU   1          2HG       GLU   1  17.407 -12.091  -6.266
    6   2HG   GLU   1          1HG       GLU   1  17.808 -12.118  -4.549
    7    H    ARG   2           H        ARG   2  13.298 -10.321  -5.817
    8    HA   ARG   2           HA       ARG   2  15.143  -8.101  -5.672
    9   1HB   ARG   2          2HB       ARG   2  14.644  -9.177  -8.226
   10   2HB   ARG   2          1HB       ARG   2  13.678  -7.702  -8.147
   11   1HG   ARG   2          2HG       ARG   2  15.517  -6.422  -8.338
   12   2HG   ARG   2          1HG       ARG   2  16.280  -7.243  -6.977
   13   1HD   ARG   2          2HD       ARG   2  17.208  -8.940  -8.390
   14   2HD   ARG   2          1HD       ARG   2  16.203  -8.438  -9.764
   15    HE   ARG   2           HE       ARG   2  17.628  -6.147  -8.994
   16   1HH1  ARG   2          1HH2      ARG   2  19.562  -8.582  -8.514
   17   2HH1  ARG   2          2HH2      ARG   2  20.492  -8.497  -9.973
   18   1HH2  ARG   2          1HH1      ARG   2  18.281  -6.352 -11.566
   19   2HH2  ARG   2          2HH1      ARG   2  19.766  -7.234 -11.701
   20    H    ARG   3           H        ARG   3  12.743  -9.060  -4.299
   21    HA   ARG   3           HA       ARG   3  10.617  -8.290  -3.574
   22   1HB   ARG   3          2HB       ARG   3  12.665  -6.265  -3.608
   23   2HB   ARG   3          1HB       ARG   3  11.098  -5.508  -3.906
   24   1HG   ARG   3          2HG       ARG   3  10.826  -5.580  -1.659
   25   2HG   ARG   3          1HG       ARG   3  10.521  -7.303  -1.887
   26   1HD   ARG   3          2HD       ARG   3  12.258  -7.040  -0.187
   27   2HD   ARG   3          1HD       ARG   3  13.016  -7.688  -1.654
   28    HE   ARG   3           HE       ARG   3  13.122  -4.916  -1.959
   29   1HH1  ARG   3          1HH2      ARG   3  13.380  -5.323   1.127
   30   2HH1  ARG   3          2HH2      ARG   3  15.104  -5.253   1.289
   31   1HH2  ARG   3          1HH1      ARG   3  15.706  -5.650  -2.102
   32   2HH2  ARG   3          2HH1      ARG   3  16.420  -5.438  -0.538
   33    H    ARG   4           H        ARG   4  10.719  -8.888  -6.429
   34    HA   ARG   4           HA       ARG   4   8.682  -6.911  -7.398
   35   1HB   ARG   4          2HB       ARG   4  11.227  -7.023  -8.301
   36   2HB   ARG   4          1HB       ARG   4  10.501  -8.251  -9.340
   37   1HG   ARG   4          2HG       ARG   4  10.309  -6.133 -10.480
   38   2HG   ARG   4          1HG       ARG   4   8.698  -6.580  -9.914
   39   1HD   ARG   4          2HD       ARG   4   9.168  -4.199  -9.413
   40   2HD   ARG   4          1HD       ARG   4   9.029  -5.129  -7.908
   41    HE   ARG   4           HE       ARG   4  11.509  -5.210  -7.828
   42   1HH1  ARG   4          1HH2      ARG   4  10.843  -3.957 -10.829
   43   2HH1  ARG   4          2HH2      ARG   4  11.862  -2.563 -10.688
   44   1HH2  ARG   4          1HH1      ARG   4  12.478  -3.027  -7.308
   45   2HH2  ARG   4          2HH1      ARG   4  12.788  -2.037  -8.695
   46    H    HIS   5           H        HIS   5   7.458  -7.937  -9.345
   47    HA   HIS   5           HA       HIS   5   6.123  -9.699 -10.192
   48   1HB   HIS   5          2HB       HIS   5   8.748 -10.725  -9.548
   49   2HB   HIS   5          1HB       HIS   5   7.533 -11.968  -9.255
   50    HD1  HIS   5           1HD      HIS   5   7.226  -9.316 -11.929
   51    HD2  HIS   5           2HD      HIS   5   7.948 -13.411 -11.638
   52    HE1  HIS   5           1HE      HIS   5   7.131 -10.230 -14.290
   53    H    SER   6           H        SER   6   4.274  -9.557  -8.887
   54    HA   SER   6           HA       SER   6   4.337 -11.020  -6.271
   55   1HB   SER   6          2HB       SER   6   2.880  -8.627  -7.358
   56   2HB   SER   6          1HB       SER   6   2.171  -9.539  -6.029
   57    HG   SER   6           HG       SER   6   4.321  -7.851  -6.065
   58    H    GLY   7           H        GLY   7   3.815 -13.114  -7.118
   59   1HA   GLY   7          2HA       GLY   7   1.055 -13.308  -8.259
   60   2HA   GLY   7          1HA       GLY   7   2.371 -14.319  -8.858
   61    H    GLN   8           H        GLN   8   2.916 -13.932  -5.622
   62    HA   GLN   8           HA       GLN   8   1.368 -16.415  -4.948
   63   1HB   GLN   8          2HB       GLN   8   3.353 -16.973  -3.542
   64   2HB   GLN   8          1HB       GLN   8   3.773 -16.806  -5.247
   65   1HG   GLN   8          2HG       GLN   8   5.167 -15.092  -4.811
   66   2HG   GLN   8          1HG       GLN   8   3.919 -14.243  -3.896
   67   1HE2  GLN   8          1HE2      GLN   8   5.655 -17.359  -3.316
   68   2HE2  GLN   8          2HE2      GLN   8   6.158 -16.952  -1.748
   69    H    ASP   9           H        ASP   9   0.390 -16.447  -2.886
   70    HA   ASP   9           HA       ASP   9  -0.665 -15.454  -1.011
   71   1HB   ASP   9          2HB       ASP   9   2.247 -14.994  -0.983
   72   2HB   ASP   9          1HB       ASP   9   1.342 -13.900   0.064
   73    H    VAL  10           H        VAL  10  -0.773 -13.081   0.132
   74    HA   VAL  10           HA       VAL  10  -1.597 -11.249  -2.018
   75    HB   VAL  10           HB       VAL  10  -3.045 -11.918  -0.094
   76   1HG1  VAL  10          1HG1      VAL  10  -1.296 -10.152   1.612
   77   2HG1  VAL  10          2HG1      VAL  10  -1.003 -11.885   1.499
   78   3HG1  VAL  10          3HG1      VAL  10  -2.541 -11.289   2.122
   79   1HG2  VAL  10          1HG2      VAL  10  -3.643  -9.516   0.544
   80   2HG2  VAL  10          2HG2      VAL  10  -3.619  -9.872  -1.184
   81   3HG2  VAL  10          3HG2      VAL  10  -2.267  -9.016  -0.441
   82    H    HIS  11           H        HIS  11   0.405 -10.322  -2.728
   83    HA   HIS  11           HA       HIS  11   1.764  -8.576  -0.707
   84   1HB   HIS  11          2HB       HIS  11   2.926 -10.782  -1.379
   85   2HB   HIS  11          1HB       HIS  11   3.169 -10.026  -2.954
   86    HD1  HIS  11           1HD      HIS  11   4.979 -10.519   0.006
   87    HD2  HIS  11           2HD      HIS  11   4.272  -7.147  -2.339
   88    HE1  HIS  11           1HE      HIS  11   6.801  -8.855   0.577
   89    H    VAL  12           H        VAL  12   2.500  -6.567  -1.560
   90    HA   VAL  12           HA       VAL  12   2.252  -6.005  -4.443
   91    HB   VAL  12           HB       VAL  12   0.650  -4.199  -2.690
   92   1HG1  VAL  12          1HG1      VAL  12   0.344  -5.357  -5.474
   93   2HG1  VAL  12          2HG1      VAL  12   0.858  -3.721  -5.059
   94   3HG1  VAL  12          3HG1      VAL  12  -0.799  -4.233  -4.736
   95   1HG2  VAL  12          1HG2      VAL  12   0.001  -6.509  -1.954
   96   2HG2  VAL  12          2HG2      VAL  12  -0.404  -6.887  -3.628
   97   3HG2  VAL  12          3HG2      VAL  12  -1.310  -5.649  -2.761
   98    H    VAL  13           H        VAL  13   2.872  -3.656  -4.869
   99    HA   VAL  13           HA       VAL  13   4.936  -2.795  -2.876
  100    HB   VAL  13           HB       VAL  13   4.646  -2.069  -5.805
  101   1HG1  VAL  13          1HG1      VAL  13   6.121  -0.617  -4.482
  102   2HG1  VAL  13          2HG1      VAL  13   7.073  -1.609  -5.586
  103   3HG1  VAL  13          3HG1      VAL  13   6.986  -2.029  -3.875
  104   1HG2  VAL  13          1HG2      VAL  13   6.518  -3.853  -6.015
  105   2HG2  VAL  13          2HG2      VAL  13   4.858  -4.425  -5.855
  106   3HG2  VAL  13          3HG2      VAL  13   5.935  -4.444  -4.458
  107    H    LEU  14           H        LEU  14   4.918  -0.626  -2.151
  108    HA   LEU  14           HA       LEU  14   2.645   1.078  -3.111
  109   1HB   LEU  14          2HB       LEU  14   1.806   0.579  -1.052
  110   2HB   LEU  14          1HB       LEU  14   3.365   0.012  -0.456
  111    HG   LEU  14           HG       LEU  14   4.104   2.344  -0.153
  112   1HD1  LEU  14          1HD1      LEU  14   1.558   3.659  -0.368
  113   2HD1  LEU  14          2HD1      LEU  14   1.927   2.867  -1.899
  114   3HD1  LEU  14          3HD1      LEU  14   3.060   4.030  -1.214
  115   1HD2  LEU  14          1HD2      LEU  14   3.189   2.284   1.908
  116   2HD2  LEU  14          2HD2      LEU  14   2.150   0.974   1.346
  117   3HD2  LEU  14          3HD2      LEU  14   1.590   2.644   1.255
  118    H    LYS  15           H        LYS  15   3.196   3.218  -3.480
  119    HA   LYS  15           HA       LYS  15   5.892   4.122  -2.653
  120   1HB   LYS  15          2HB       LYS  15   6.181   3.918  -4.931
  121   2HB   LYS  15          1HB       LYS  15   4.452   4.056  -5.252
  122   1HG   LYS  15          2HG       LYS  15   4.486   6.408  -5.071
  123   2HG   LYS  15          1HG       LYS  15   6.064   6.412  -4.284
  124   1HD   LYS  15          2HD       LYS  15   5.598   5.473  -7.128
  125   2HD   LYS  15          1HD       LYS  15   6.148   7.095  -6.704
  126   1HE   LYS  15          2HE       LYS  15   7.593   4.534  -5.928
  127   2HE   LYS  15          1HE       LYS  15   8.064   5.604  -7.264
  128   1HZ   LYS  15          1HZ       LYS  15   7.975   6.213  -4.369
  129   2HZ   LYS  15          2HZ       LYS  15   7.957   7.446  -5.537
  130   3HZ   LYS  15          3HZ       LYS  15   9.278   6.384  -5.441
  131    H    LEU  16           H        LEU  16   5.862   6.099  -1.559
  132    HA   LEU  16           HA       LEU  16   3.210   7.479  -1.406
  133   1HB   LEU  16          2HB       LEU  16   4.736   6.493   0.561
  134   2HB   LEU  16          1HB       LEU  16   5.486   8.082   0.427
  135    HG   LEU  16           HG       LEU  16   3.108   9.039   0.519
  136   1HD1  LEU  16          1HD1      LEU  16   1.336   7.688   1.184
  137   2HD1  LEU  16          2HD1      LEU  16   2.395   6.483   1.916
  138   3HD1  LEU  16          3HD1      LEU  16   2.236   6.567   0.162
  139   1HD2  LEU  16          1HD2      LEU  16   4.253   9.481   2.470
  140   2HD2  LEU  16          2HD2      LEU  16   4.677   7.789   2.727
  141   3HD2  LEU  16          3HD2      LEU  16   3.055   8.361   3.117
  142    H    TRP  17           H        TRP  17   3.069   9.276  -2.675
  143    HA   TRP  17           HA       TRP  17   5.502  10.706  -3.533
  144   1HB   TRP  17          2HB       TRP  17   2.601  11.330  -4.131
  145   2HB   TRP  17          1HB       TRP  17   4.014  11.713  -5.103
  146    HD1  TRP  17           HD       TRP  17   1.927   8.686  -3.992
  147    HE1  TRP  17           1HE      TRP  17   2.218   6.843  -5.727
  148    HE3  TRP  17           3HE      TRP  17   5.426  10.775  -6.991
  149    HZ2  TRP  17           2HZ      TRP  17   3.704   6.274  -8.071
  150    HZ3  TRP  17           3HZ      TRP  17   6.283   9.578  -8.985
  151    HH2  TRP  17           HH       TRP  17   5.416   7.315  -9.528
  152    H    LYS  18           H        LYS  18   5.178  13.245  -3.491
  153    HA   LYS  18           HA       LYS  18   5.473  14.339  -1.011
  154   1HB   LYS  18          2HB       LYS  18   4.350  15.260  -3.601
  155   2HB   LYS  18          1HB       LYS  18   4.069  16.318  -2.217
  156   1HG   LYS  18          2HG       LYS  18   6.780  15.239  -3.047
  157   2HG   LYS  18          1HG       LYS  18   6.191  16.863  -3.403
  158   1HD   LYS  18          2HD       LYS  18   5.763  16.934  -0.791
  159   2HD   LYS  18          1HD       LYS  18   7.001  15.677  -0.773
  160   1HE   LYS  18          2HE       LYS  18   8.640  17.112  -1.716
  161   2HE   LYS  18          1HE       LYS  18   7.419  18.279  -2.264
  162   1HZ   LYS  18          1HZ       LYS  18   6.783  18.428   0.180
  163   2HZ   LYS  18          2HZ       LYS  18   8.231  19.187  -0.285
  164   3HZ   LYS  18          3HZ       LYS  18   8.273  17.683   0.506
  165    H    THR  19           H        THR  19   2.250  14.015  -2.572
  166    HA   THR  19           HA       THR  19   1.052  13.898   0.166
  167    HB   THR  19           HB       THR  19   0.883  16.207  -0.531
  168    HG1  THR  19           1HG      THR  19  -1.124  16.191   0.019
  169   1HG2  THR  19          1HG2      THR  19   1.346  16.153  -2.844
  170   2HG2  THR  19          2HG2      THR  19  -0.341  16.655  -2.764
  171   3HG2  THR  19          3HG2      THR  19   0.063  14.985  -3.162
  172    H    GLY  20           H        GLY  20   1.579  11.951  -2.067
  173   1HA   GLY  20          2HA       GLY  20  -1.121  10.827  -2.175
  174   2HA   GLY  20          1HA       GLY  20  -0.388  11.166  -3.733
  175    H    PHE  21           H        PHE  21  -1.080   8.548  -2.685
  176    HA   PHE  21           HA       PHE  21   1.676   7.362  -2.653
  177   1HB   PHE  21          2HB       PHE  21   0.927   5.774  -1.000
  178   2HB   PHE  21          1HB       PHE  21   0.448   7.372  -0.434
  179    HD1  PHE  21           1HD      PHE  21  -1.768   7.710   0.227
  180    HD2  PHE  21           2HD      PHE  21  -0.879   4.529  -2.500
  181    HE1  PHE  21           1HE      PHE  21  -4.115   6.971   0.325
  182    HE2  PHE  21           2HE      PHE  21  -3.228   3.793  -2.408
  183    HZ   PHE  21           HZ       PHE  21  -4.828   5.019  -0.994
  184    H    SER  22           H        SER  22   1.951   5.568  -4.009
  185    HA   SER  22           HA       SER  22  -0.410   4.846  -5.708
  186   1HB   SER  22          2HB       SER  22   1.327   5.829  -7.012
  187   2HB   SER  22          1HB       SER  22   2.575   4.926  -6.163
  188    HG   SER  22           HG       SER  22   1.045   4.219  -8.298
  189    H    LEU  23           H        LEU  23  -0.002   2.556  -6.703
  190    HA   LEU  23           HA       LEU  23   1.183   0.629  -4.793
  191   1HB   LEU  23          2HB       LEU  23  -1.401   1.400  -4.495
  192   2HB   LEU  23          1HB       LEU  23  -1.577   0.050  -5.609
  193    HG   LEU  23           HG       LEU  23  -1.701  -0.736  -3.289
  194   1HD1  LEU  23          1HD1      LEU  23   0.662  -1.501  -4.989
  195   2HD1  LEU  23          2HD1      LEU  23  -0.832  -2.395  -4.706
  196   3HD1  LEU  23          3HD1      LEU  23   0.390  -2.292  -3.437
  197   1HD2  LEU  23          1HD2      LEU  23   0.373   1.162  -2.928
  198   2HD2  LEU  23          2HD2      LEU  23   1.075  -0.419  -2.582
  199   3HD2  LEU  23          3HD2      LEU  23  -0.352   0.124  -1.701
  200    H    ASP  24           H        ASP  24   2.488  -0.425  -6.285
  201    HA   ASP  24           HA       ASP  24   3.101  -1.509  -8.310
  202   1HB   ASP  24          2HB       ASP  24   1.387  -2.920  -6.845
  203   2HB   ASP  24          1HB       ASP  24   0.335  -2.668  -8.238
  204    H    ASN  25           H        ASN  25   0.719  -2.406 -10.100
  205    HA   ASN  25           HA       ASN  25   0.923  -0.364 -12.079
  206   1HB   ASN  25          2HB       ASN  25  -0.722  -1.693 -13.216
  207   2HB   ASN  25          1HB       ASN  25   0.238  -2.823 -12.262
  208   1HD2  ASN  25          1HD2      ASN  25  -2.942  -1.962 -12.968
  209   2HD2  ASN  25          2HD2      ASN  25  -3.699  -2.629 -11.603
  210    H    GLY  26           H        GLY  26  -2.060  -0.301 -12.587
  211   1HA   GLY  26          2HA       GLY  26  -3.802   1.224 -12.224
  212   2HA   GLY  26          1HA       GLY  26  -3.480   0.972 -10.509
  213    H    ASP  27           H        ASP  27  -4.237   3.487 -11.536
  214    HA   ASP  27           HA       ASP  27  -1.923   5.169 -11.968
  215   1HB   ASP  27          2HB       ASP  27  -4.710   5.959 -11.106
  216   2HB   ASP  27          1HB       ASP  27  -3.572   6.903 -12.065
  217    H    LEU  28           H        LEU  28  -1.438   7.023 -10.452
  218    HA   LEU  28           HA       LEU  28  -0.845   6.117  -7.806
  219   1HB   LEU  28          2HB       LEU  28   0.558   7.759  -8.613
  220   2HB   LEU  28          1HB       LEU  28  -0.761   8.629  -9.374
  221    HG   LEU  28           HG       LEU  28  -0.871   8.476  -6.419
  222   1HD1  LEU  28          1HD1      LEU  28   0.926   9.859  -5.957
  223   2HD1  LEU  28          2HD1      LEU  28   0.951  10.545  -7.580
  224   3HD1  LEU  28          3HD1      LEU  28   1.598   8.931  -7.296
  225   1HD2  LEU  28          1HD2      LEU  28  -1.979  10.501  -6.652
  226   2HD2  LEU  28          2HD2      LEU  28  -2.317   9.788  -8.230
  227   3HD2  LEU  28          3HD2      LEU  28  -1.026  10.977  -8.059
  228    H    ARG  29           H        ARG  29  -1.759   6.971  -5.766
  229    HA   ARG  29           HA       ARG  29  -4.671   7.615  -6.043
  230   1HB   ARG  29          2HB       ARG  29  -3.065   5.820  -4.446
  231   2HB   ARG  29          1HB       ARG  29  -3.982   6.897  -3.392
  232   1HG   ARG  29          2HG       ARG  29  -5.683   5.428  -3.726
  233   2HG   ARG  29          1HG       ARG  29  -5.863   6.246  -5.279
  234   1HD   ARG  29          2HD       ARG  29  -3.771   4.171  -5.294
  235   2HD   ARG  29          1HD       ARG  29  -5.405   3.542  -4.999
  236    HE   ARG  29           HE       ARG  29  -4.618   5.178  -7.373
  237   1HH1  ARG  29          1HH1      ARG  29  -7.434   4.604  -5.773
  238   2HH1  ARG  29          2HH1      ARG  29  -8.223   3.731  -7.043
  239   1HH2  ARG  29          1HH2      ARG  29  -5.359   3.423  -8.972
  240   2HH2  ARG  29          2HH2      ARG  29  -7.048   3.062  -8.854
  241    H    SER  30           H        SER  30  -5.530   9.377  -4.875
  242    HA   SER  30           HA       SER  30  -3.575  11.456  -4.085
  243   1HB   SER  30          2HB       SER  30  -6.036  11.379  -5.377
  244   2HB   SER  30          1HB       SER  30  -6.441  11.999  -3.779
  245    HG   SER  30           HG       SER  30  -4.291  12.982  -5.349
  246    H    TYR  31           H        TYR  31  -2.983  11.647  -1.964
  247    HA   TYR  31           HA       TYR  31  -3.605  10.188   0.237
  248   1HB   TYR  31          2HB       TYR  31  -2.916  13.018  -0.285
  249   2HB   TYR  31          1HB       TYR  31  -3.553  12.697   1.326
  250    HD1  TYR  31           1HD      TYR  31  -1.780  10.074  -0.541
  251    HD2  TYR  31           2HD      TYR  31  -1.395  13.182   2.400
  252    HE1  TYR  31           1HE      TYR  31   0.424   9.153   0.147
  253    HE2  TYR  31           2HE      TYR  31   0.802  12.260   3.087
  254    HH   TYR  31           HH       TYR  31   1.916   9.890   2.971
  255    H    GLN  32           H        GLN  32  -5.676  12.771  -1.072
  256    HA   GLN  32           HA       GLN  32  -7.614  12.658   1.062
  257   1HB   GLN  32          2HB       GLN  32  -7.710  13.744  -1.764
  258   2HB   GLN  32          1HB       GLN  32  -8.868  14.130  -0.493
  259   1HG   GLN  32          2HG       GLN  32  -7.086  15.106   0.876
  260   2HG   GLN  32          1HG       GLN  32  -5.889  14.668  -0.345
  261   1HE2  GLN  32          1HE2      GLN  32  -5.812  17.292   0.045
  262   2HE2  GLN  32          2HE2      GLN  32  -6.681  18.169  -1.119
  263    H    ASP  33           H        ASP  33  -7.316  11.145  -2.118
  264    HA   ASP  33           HA       ASP  33  -9.747  10.162  -2.808
  265   1HB   ASP  33          2HB       ASP  33  -7.825   9.427  -3.979
  266   2HB   ASP  33          1HB       ASP  33  -7.073   8.788  -2.517
  267    HA   PRO  34           HA       PRO  34 -11.495   8.018   0.616
  268   1HB   PRO  34          2HB       PRO  34 -13.134   6.273  -0.717
  269   2HB   PRO  34          1HB       PRO  34 -13.482   8.007  -0.569
  270   1HG   PRO  34          2HG       PRO  34 -12.319   6.501  -2.859
  271   2HG   PRO  34          1HG       PRO  34 -13.486   7.833  -2.861
  272   1HD   PRO  34          2HD       PRO  34 -10.844   8.160  -3.427
  273   2HD   PRO  34          1HD       PRO  34 -11.853   9.435  -2.709
  274    H    SER  35           H        SER  35 -10.750   5.740  -2.073
  275    HA   SER  35           HA       SER  35 -10.391   3.375  -0.671
  276   1HB   SER  35          2HB       SER  35  -9.370   2.715  -2.621
  277   2HB   SER  35          1HB       SER  35  -9.903   4.295  -3.186
  278    HG   SER  35           HG       SER  35  -7.632   3.852  -3.503
  279    H    ASN  36           H        ASN  36  -8.380   6.239  -0.581
  280    HA   ASN  36           HA       ASN  36  -6.000   5.140   0.523
  281   1HB   ASN  36          2HB       ASN  36  -7.350   7.835   0.853
  282   2HB   ASN  36          1HB       ASN  36  -5.670   7.502   1.271
  283   1HD2  ASN  36          1HD2      ASN  36  -4.652   8.765  -0.374
  284   2HD2  ASN  36          2HD2      ASN  36  -4.837   8.448  -2.030
  285    H    ALA  37           H        ALA  37  -9.130   5.273   1.837
  286    HA   ALA  37           HA       ALA  37  -8.638   5.813   4.587
  287   1HB   ALA  37          1HB       ALA  37 -10.812   5.487   3.144
  288   2HB   ALA  37          2HB       ALA  37 -10.835   5.013   4.843
  289   3HB   ALA  37          3HB       ALA  37 -10.632   3.789   3.589
  290    H    GLN  38           H        GLN  38  -9.016   2.647   2.958
  291    HA   GLN  38           HA       GLN  38  -7.865   1.202   5.223
  292   1HB   GLN  38          2HB       GLN  38  -9.475   0.046   3.917
  293   2HB   GLN  38          1HB       GLN  38  -8.727   0.549   2.401
  294   1HG   GLN  38          2HG       GLN  38  -6.902  -0.962   4.139
  295   2HG   GLN  38          1HG       GLN  38  -8.316  -1.893   3.643
  296   1HE2  GLN  38          1HE2      GLN  38  -8.834  -1.501   1.125
  297   2HE2  GLN  38          2HE2      GLN  38  -7.481  -1.587   0.103
  298    H    PHE  39           H        PHE  39  -6.692   2.638   2.249
  299    HA   PHE  39           HA       PHE  39  -4.157   1.201   2.208
  300   1HB   PHE  39          2HB       PHE  39  -5.396   2.263   0.269
  301   2HB   PHE  39          1HB       PHE  39  -4.928   3.831   0.926
  302    HD1  PHE  39           1HD      PHE  39  -2.279   3.868   1.648
  303    HD2  PHE  39           2HD      PHE  39  -4.045   1.455  -1.437
  304    HE1  PHE  39           1HE      PHE  39  -0.075   3.681   0.533
  305    HE2  PHE  39           2HE      PHE  39  -1.841   1.271  -2.552
  306    HZ   PHE  39           HZ       PHE  39   0.146   2.383  -1.568
  307    H    LEU  40           H        LEU  40  -4.786   4.685   2.640
  308    HA   LEU  40           HA       LEU  40  -2.300   5.383   3.719
  309   1HB   LEU  40          2HB       LEU  40  -4.611   6.554   2.955
  310   2HB   LEU  40          1HB       LEU  40  -4.714   6.725   4.694
  311    HG   LEU  40           HG       LEU  40  -2.905   8.163   4.808
  312   1HD1  LEU  40          1HD1      LEU  40  -1.221   8.210   2.811
  313   2HD1  LEU  40          2HD1      LEU  40  -1.919   6.644   2.399
  314   3HD1  LEU  40          3HD1      LEU  40  -1.127   6.874   3.959
  315   1HD2  LEU  40          1HD2      LEU  40  -4.406   8.411   2.267
  316   2HD2  LEU  40          2HD2      LEU  40  -2.916   9.354   2.368
  317   3HD2  LEU  40          3HD2      LEU  40  -4.192   9.589   3.565
  318    H    GLU  41           H        GLU  41  -5.230   4.307   5.404
  319    HA   GLU  41           HA       GLU  41  -4.062   4.661   8.035
  320   1HB   GLU  41          2HB       GLU  41  -6.490   3.062   7.223
  321   2HB   GLU  41          1HB       GLU  41  -6.184   3.822   8.786
  322   1HG   GLU  41          2HG       GLU  41  -6.446   5.345   6.185
  323   2HG   GLU  41          1HG       GLU  41  -7.762   5.122   7.334
  324    H    SER  42           H        SER  42  -5.266   1.735   6.411
  325    HA   SER  42           HA       SER  42  -4.103  -0.137   8.168
  326   1HB   SER  42          2HB       SER  42  -5.757  -0.239   6.078
  327   2HB   SER  42          1HB       SER  42  -4.287  -0.728   5.249
  328    HG   SER  42           HG       SER  42  -4.313  -2.060   7.496
  329    H    ILE  43           H        ILE  43  -2.722   1.352   5.246
  330    HA   ILE  43           HA       ILE  43  -0.308  -0.156   5.230
  331    HB   ILE  43           HB       ILE  43  -1.078   2.548   4.231
  332   1HG1  ILE  43          2HG1      ILE  43  -1.540  -0.135   3.348
  333   2HG1  ILE  43          1HG1      ILE  43  -2.070   1.363   2.591
  334   1HG2  ILE  43          1HG2      ILE  43   1.386   2.280   4.661
  335   2HG2  ILE  43          2HG2      ILE  43   0.953   2.630   2.988
  336   3HG2  ILE  43          3HG2      ILE  43   1.371   0.985   3.466
  337   1HD1  ILE  43          1HD1      ILE  43   0.077   1.557   1.417
  338   2HD1  ILE  43          2HD1      ILE  43  -0.676   0.005   1.054
  339   3HD1  ILE  43          3HD1      ILE  43   0.657   0.092   2.208
  340    H    ARG  44           H        ARG  44  -1.152   2.999   6.612
  341    HA   ARG  44           HA       ARG  44   1.351   3.727   7.693
  342   1HB   ARG  44          2HB       ARG  44  -1.488   4.353   8.025
  343   2HB   ARG  44          1HB       ARG  44  -0.587   4.548   9.528
  344   1HG   ARG  44          2HG       ARG  44   1.135   5.698   7.754
  345   2HG   ARG  44          1HG       ARG  44  -0.416   6.097   7.014
  346   1HD   ARG  44          2HD       ARG  44   0.110   6.558   9.963
  347   2HD   ARG  44          1HD       ARG  44   0.448   7.792   8.733
  348    HE   ARG  44           HE       ARG  44  -2.248   6.533   8.759
  349   1HH1  ARG  44          1HH2      ARG  44  -1.349   9.006   7.172
  350   2HH1  ARG  44          2HH2      ARG  44  -2.103  10.267   8.088
  351   1HH2  ARG  44          1HH1      ARG  44  -2.721   8.257  10.845
  352   2HH2  ARG  44          2HH1      ARG  44  -2.879   9.843  10.168
  353    H    ARG  45           H        ARG  45  -0.944   1.287   8.719
  354    HA   ARG  45           HA       ARG  45   0.201   0.958  11.376
  355   1HB   ARG  45          2HB       ARG  45  -2.059   0.067   9.802
  356   2HB   ARG  45          1HB       ARG  45  -1.289  -1.310  10.591
  357   1HG   ARG  45          2HG       ARG  45  -1.629  -0.429  12.744
  358   2HG   ARG  45          1HG       ARG  45  -1.860   1.211  12.136
  359   1HD   ARG  45          2HD       ARG  45  -4.091   0.877  11.910
  360   2HD   ARG  45          1HD       ARG  45  -3.823  -0.619  10.994
  361    HE   ARG  45           HE       ARG  45  -3.169  -1.110  13.725
  362   1HH1  ARG  45          1HH2      ARG  45  -5.898  -0.117  11.881
  363   2HH1  ARG  45          2HH2      ARG  45  -7.023  -1.087  12.771
  364   1HH2  ARG  45          1HH1      ARG  45  -4.599  -2.506  14.805
  365   2HH2  ARG  45          2HH1      ARG  45  -6.288  -2.439  14.427
  366    H    GLY  46           H        GLY  46   0.897  -0.071   8.188
  367   1HA   GLY  46          2HA       GLY  46   3.341  -1.307   8.762
  368   2HA   GLY  46          1HA       GLY  46   2.132  -2.591   8.739
  369    H    GLU  47           H        GLU  47   0.981  -2.990   6.773
  370    HA   GLU  47           HA       GLU  47   1.850  -1.545   4.331
  371   1HB   GLU  47          2HB       GLU  47   2.401  -3.930   3.398
  372   2HB   GLU  47          1HB       GLU  47   3.592  -3.118   4.412
  373   1HG   GLU  47          2HG       GLU  47   1.523  -4.832   5.734
  374   2HG   GLU  47          1HG       GLU  47   2.874  -5.620   4.918
  375    H    VAL  48           H        VAL  48  -0.114  -1.188   3.317
  376    HA   VAL  48           HA       VAL  48  -1.888  -3.485   2.868
  377    HB   VAL  48           HB       VAL  48  -3.028  -0.949   4.011
  378   1HG1  VAL  48          1HG1      VAL  48  -4.818  -2.222   3.349
  379   2HG1  VAL  48          2HG1      VAL  48  -4.537  -3.011   4.901
  380   3HG1  VAL  48          3HG1      VAL  48  -3.899  -3.725   3.419
  381   1HG2  VAL  48          1HG2      VAL  48  -1.329  -1.706   5.611
  382   2HG2  VAL  48          2HG2      VAL  48  -1.959  -3.351   5.529
  383   3HG2  VAL  48          3HG2      VAL  48  -2.934  -2.069   6.242
  384    HA   PRO  49           HA       PRO  49  -1.771  -0.747  -0.757
  385   1HB   PRO  49          2HB       PRO  49  -1.304  -2.765  -2.545
  386   2HB   PRO  49          1HB       PRO  49  -0.014  -1.975  -1.623
  387   1HG   PRO  49          2HG       PRO  49  -1.213  -4.639  -1.276
  388   2HG   PRO  49          1HG       PRO  49   0.395  -4.059  -0.840
  389   1HD   PRO  49          2HD       PRO  49  -1.804  -4.430   0.886
  390   2HD   PRO  49          1HD       PRO  49  -0.267  -3.652   1.289
  391    H    ALA  50           H        ALA  50  -2.776  -2.436  -3.091
  392    HA   ALA  50           HA       ALA  50  -5.671  -2.273  -2.412
  393   1HB   ALA  50          1HB       ALA  50  -5.947  -1.882  -4.691
  394   2HB   ALA  50          2HB       ALA  50  -4.576  -2.902  -5.132
  395   3HB   ALA  50          3HB       ALA  50  -4.299  -1.288  -4.478
  396    H    GLU  51           H        GLU  51  -3.286  -4.533  -3.821
  397    HA   GLU  51           HA       GLU  51  -4.951  -6.761  -4.270
  398   1HB   GLU  51          2HB       GLU  51  -2.240  -6.143  -4.295
  399   2HB   GLU  51          1HB       GLU  51  -2.354  -7.371  -3.033
  400   1HG   GLU  51          2HG       GLU  51  -3.766  -7.800  -5.650
  401   2HG   GLU  51          1HG       GLU  51  -2.036  -8.119  -5.530
  402    H    LEU  52           H        LEU  52  -4.011  -5.206  -1.325
  403    HA   LEU  52           HA       LEU  52  -4.402  -7.445   0.453
  404   1HB   LEU  52          2HB       LEU  52  -3.829  -5.877   2.061
  405   2HB   LEU  52          1HB       LEU  52  -3.222  -5.056   0.633
  406    HG   LEU  52           HG       LEU  52  -4.413  -3.362   1.668
  407   1HD1  LEU  52          1HD1      LEU  52  -5.967  -2.794   0.131
  408   2HD1  LEU  52          2HD1      LEU  52  -6.906  -4.255   0.399
  409   3HD1  LEU  52          3HD1      LEU  52  -5.497  -4.296  -0.663
  410   1HD2  LEU  52          1HD2      LEU  52  -6.378  -3.647   2.993
  411   2HD2  LEU  52          2HD2      LEU  52  -5.287  -4.966   3.420
  412   3HD2  LEU  52          3HD2      LEU  52  -6.657  -5.264   2.349
  413    H    ARG  53           H        ARG  53  -6.507  -5.538  -1.366
  414    HA   ARG  53           HA       ARG  53  -8.793  -6.017   0.419
  415   1HB   ARG  53          2HB       ARG  53  -8.048  -3.934  -1.239
  416   2HB   ARG  53          1HB       ARG  53  -9.201  -4.811  -2.244
  417   1HG   ARG  53          2HG       ARG  53 -10.315  -4.706   0.362
  418   2HG   ARG  53          1HG       ARG  53  -9.729  -3.083  -0.005
  419   1HD   ARG  53          2HD       ARG  53 -11.213  -2.794  -1.755
  420   2HD   ARG  53          1HD       ARG  53 -11.234  -4.524  -2.156
  421    HE   ARG  53           HE       ARG  53 -12.477  -4.765   0.113
  422   1HH1  ARG  53          1HH1      ARG  53 -13.081  -2.626  -2.442
  423   2HH1  ARG  53          2HH1      ARG  53 -14.406  -1.821  -1.669
  424   1HH2  ARG  53          1HH2      ARG  53 -13.975  -3.451   1.360
  425   2HH2  ARG  53          2HH2      ARG  53 -14.912  -2.289   0.483
  426    H    ARG  54           H        ARG  54  -7.240  -6.943  -2.540
  427    HA   ARG  54           HA       ARG  54  -9.356  -8.565  -3.629
  428   1HB   ARG  54          2HB       ARG  54  -6.486  -7.994  -4.078
  429   2HB   ARG  54          1HB       ARG  54  -7.054  -9.550  -4.686
  430   1HG   ARG  54          2HG       ARG  54  -8.870  -8.411  -5.910
  431   2HG   ARG  54          1HG       ARG  54  -8.295  -6.854  -5.312
  432   1HD   ARG  54          2HD       ARG  54  -6.799  -6.747  -7.005
  433   2HD   ARG  54          1HD       ARG  54  -6.083  -8.283  -6.486
  434    HE   ARG  54           HE       ARG  54  -8.551  -8.849  -7.761
  435   1HH1  ARG  54          1HH1      ARG  54  -5.618  -9.801  -8.320
  436   2HH1  ARG  54          2HH1      ARG  54  -5.504  -9.410 -10.003
  437   1HH2  ARG  54          1HH2      ARG  54  -8.331  -7.402 -10.001
  438   2HH2  ARG  54          2HH2      ARG  54  -7.038  -8.051 -10.954
  439    H    LEU  55           H        LEU  55  -6.336  -9.426  -1.900
  440    HA   LEU  55           HA       LEU  55  -7.449 -12.107  -1.393
  441   1HB   LEU  55          2HB       LEU  55  -4.904 -10.980  -2.009
  442   2HB   LEU  55          1HB       LEU  55  -4.790 -11.780  -0.441
  443    HG   LEU  55           HG       LEU  55  -4.297 -13.442  -2.110
  444   1HD1  LEU  55          1HD1      LEU  55  -6.401 -13.665  -0.297
  445   2HD1  LEU  55          2HD1      LEU  55  -5.606 -15.001  -1.129
  446   3HD1  LEU  55          3HD1      LEU  55  -7.074 -14.292  -1.802
  447   1HD2  LEU  55          1HD2      LEU  55  -6.965 -12.954  -3.426
  448   2HD2  LEU  55          2HD2      LEU  55  -5.549 -13.780  -4.077
  449   3HD2  LEU  55          3HD2      LEU  55  -5.546 -12.024  -3.908
  450    H    ALA  56           H        ALA  56  -5.499  -9.781   0.471
  451    HA   ALA  56           HA       ALA  56  -5.936 -10.789   3.040
  452   1HB   ALA  56          1HB       ALA  56  -5.250  -8.204   1.789
  453   2HB   ALA  56          2HB       ALA  56  -4.444  -9.063   3.099
  454   3HB   ALA  56          3HB       ALA  56  -5.868  -8.079   3.437
  455    H    HIS  57           H        HIS  57  -7.794  -8.106   1.598
  456    HA   HIS  57           HA       HIS  57  -9.981  -7.345   2.075
  457   1HB   HIS  57          2HB       HIS  57  -9.946 -10.096   1.566
  458   2HB   HIS  57          1HB       HIS  57 -10.939  -9.928   3.012
  459    HD1  HIS  57           1HD      HIS  57 -12.725  -7.737   2.732
  460    HD2  HIS  57           2HD      HIS  57 -11.469  -9.738  -0.702
  461    HE1  HIS  57           1HE      HIS  57 -14.413  -7.188   0.926
  462    H    GLY  58           H        GLY  58  -8.023  -7.246   4.175
  463   1HA   GLY  58          2HA       GLY  58  -9.811  -6.953   6.451
  464   2HA   GLY  58          1HA       GLY  58  -8.537  -8.150   6.684
  465    H    GLY  59           H        GLY  59  -7.669  -5.638   4.571
  466   1HA   GLY  59          2HA       GLY  59  -6.239  -3.793   4.801
  467   2HA   GLY  59          1HA       GLY  59  -6.820  -3.660   6.452
  468    H    GLN  60           H        GLN  60  -5.110  -6.347   4.917
  469    HA   GLN  60           HA       GLN  60  -2.700  -5.792   6.502
  470   1HB   GLN  60          2HB       GLN  60  -4.565  -8.138   6.855
  471   2HB   GLN  60          1HB       GLN  60  -2.879  -8.219   7.368
  472   1HG   GLN  60          2HG       GLN  60  -4.883  -6.132   8.280
  473   2HG   GLN  60          1HG       GLN  60  -4.358  -7.522   9.230
  474   1HE2  GLN  60          1HE2      GLN  60  -1.570  -7.501   8.585
  475   2HE2  GLN  60          2HE2      GLN  60  -0.881  -6.090   9.226
  476    H    VAL  61           H        VAL  61  -1.222  -5.880   4.804
  477    HA   VAL  61           HA       VAL  61  -1.042  -8.399   3.303
  478    HB   VAL  61           HB       VAL  61  -2.022  -5.811   2.314
  479   1HG1  VAL  61          1HG1      VAL  61  -0.973  -6.199   0.041
  480   2HG1  VAL  61          2HG1      VAL  61   0.119  -7.347   0.816
  481   3HG1  VAL  61          3HG1      VAL  61   0.151  -5.646   1.281
  482   1HG2  VAL  61          1HG2      VAL  61  -2.714  -7.532   0.445
  483   2HG2  VAL  61          2HG2      VAL  61  -3.506  -7.582   2.021
  484   3HG2  VAL  61          3HG2      VAL  61  -2.219  -8.725   1.643
  485    H    ASN  62           H        ASN  62   1.056  -8.760   2.404
  486    HA   ASN  62           HA       ASN  62   3.234  -7.293   3.704
  487   1HB   ASN  62          2HB       ASN  62   2.751  -9.758   2.203
  488   2HB   ASN  62          1HB       ASN  62   4.261  -8.980   1.723
  489   1HD2  ASN  62          1HD2      ASN  62   2.737 -10.849   4.208
  490   2HD2  ASN  62          2HD2      ASN  62   4.021 -10.814   5.319
  491    H    LEU  63           H        LEU  63   3.453  -5.199   2.850
  492    HA   LEU  63           HA       LEU  63   3.952  -5.016  -0.058
  493   1HB   LEU  63          2HB       LEU  63   1.910  -4.031  -0.093
  494   2HB   LEU  63          1HB       LEU  63   1.904  -3.788   1.647
  495    HG   LEU  63           HG       LEU  63   3.613  -2.096  -0.179
  496   1HD1  LEU  63          1HD1      LEU  63   0.701  -2.096   0.157
  497   2HD1  LEU  63          2HD1      LEU  63   1.692  -1.254  -1.035
  498   3HD1  LEU  63          3HD1      LEU  63   1.435  -0.545   0.560
  499   1HD2  LEU  63          1HD2      LEU  63   4.133  -0.990   1.729
  500   2HD2  LEU  63          2HD2      LEU  63   3.421  -2.354   2.590
  501   3HD2  LEU  63          3HD2      LEU  63   2.444  -0.929   2.235
  502    H    ASP  64           H        ASP  64   5.470  -3.397  -0.671
  503    HA   ASP  64           HA       ASP  64   7.253  -2.516   1.502
  504   1HB   ASP  64          2HB       ASP  64   8.230  -3.733  -0.354
  505   2HB   ASP  64          1HB       ASP  64   7.479  -2.636  -1.513
  506    H    MET  65           H        MET  65   8.223  -0.235   1.156
  507    HA   MET  65           HA       MET  65   6.082   1.645   0.206
  508   1HB   MET  65          2HB       MET  65   7.979   1.786   2.570
  509   2HB   MET  65          1HB       MET  65   6.902   3.096   2.087
  510   1HG   MET  65          2HG       MET  65   4.972   1.489   2.312
  511   2HG   MET  65          1HG       MET  65   6.102   0.319   2.997
  512   1HE   MET  65          1HE       MET  65   3.587   1.092   4.496
  513   2HE   MET  65          2HE       MET  65   4.166   1.396   6.131
  514   3HE   MET  65          3HE       MET  65   4.836   0.056   5.201
  515    H    GLU  66           H        GLU  66   6.956   2.355  -1.755
  516    HA   GLU  66           HA       GLU  66   9.737   2.659  -2.313
  517   1HB   GLU  66          2HB       GLU  66   7.156   3.113  -3.539
  518   2HB   GLU  66          1HB       GLU  66   8.252   4.444  -3.910
  519   1HG   GLU  66          2HG       GLU  66   8.420   2.595  -5.570
  520   2HG   GLU  66          1HG       GLU  66   9.940   2.878  -4.724
  521    H    ASP  67           H        ASP  67  11.117   4.247  -1.634
  522    HA   ASP  67           HA       ASP  67  10.001   6.646  -0.337
  523   1HB   ASP  67          2HB       ASP  67  12.413   6.760   0.502
  524   2HB   ASP  67          1HB       ASP  67  11.479   5.365   1.034
  525    H    HIS  68           H        HIS  68   9.667   8.118  -2.042
  526    HA   HIS  68           HA       HIS  68  12.093   9.248  -3.281
  527   1HB   HIS  68          2HB       HIS  68   9.812   8.095  -4.923
  528   2HB   HIS  68          1HB       HIS  68  11.262   8.872  -5.561
  529    HD1  HIS  68           1HD      HIS  68  13.486   7.542  -5.453
  530    HD2  HIS  68           2HD      HIS  68  10.215   5.448  -3.937
  531    HE1  HIS  68           1HE      HIS  68  14.237   5.139  -5.184
  532    H    ARG  69           H        ARG  69  10.739  10.661  -1.531
  533    HA   ARG  69           HA       ARG  69   8.393  12.016  -2.533
  534   1HB   ARG  69          2HB       ARG  69  10.040  13.306  -0.444
  535   2HB   ARG  69          1HB       ARG  69   8.330  12.894  -0.421
  536   1HG   ARG  69          2HG       ARG  69  10.682  11.074   0.125
  537   2HG   ARG  69          1HG       ARG  69   9.371  11.501   1.218
  538   1HD   ARG  69          2HD       ARG  69   9.385   9.539  -1.040
  539   2HD   ARG  69          1HD       ARG  69   8.555   9.451   0.523
  540    HE   ARG  69           HE       ARG  69   7.475  10.638  -1.891
  541   1HH1  ARG  69          1HH2      ARG  69   6.562   9.618   1.074
  542   2HH1  ARG  69          2HH2      ARG  69   5.504  10.937   1.445
  543   1HH2  ARG  69          1HH1      ARG  69   6.563  12.886  -1.219
  544   2HH2  ARG  69          2HH1      ARG  69   5.503  12.788   0.148
  545    H    ASP  70           H        ASP  70  11.818  12.880  -2.233
  546    HA   ASP  70           HA       ASP  70  11.714  15.553  -3.112
  547   1HB   ASP  70          2HB       ASP  70  13.740  13.331  -3.501
  548   2HB   ASP  70          1HB       ASP  70  14.079  15.020  -3.884
  549    H    GLU  71           H        GLU  71  10.929  12.703  -4.878
  550    HA   GLU  71           HA       GLU  71  10.759  14.330  -7.375
  551   1HB   GLU  71          2HB       GLU  71  12.135  12.853  -8.572
  552   2HB   GLU  71          1HB       GLU  71  12.935  12.927  -7.002
  553   1HG   GLU  71          2HG       GLU  71  11.224  10.909  -6.505
  554   2HG   GLU  71          1HG       GLU  71  11.415  10.692  -8.245
  555    H    ASP  72           H        ASP  72   8.560  13.494  -5.748
  556    HA   ASP  72           HA       ASP  72   7.295  11.538  -7.569
  557   1HB   ASP  72          2HB       ASP  72   7.760  11.459  -4.653
  558   2HB   ASP  72          1HB       ASP  72   6.155  10.963  -5.178
  559    H    PHE  73           H        PHE  73   5.249  12.134  -8.218
  560    HA   PHE  73           HA       PHE  73   3.501  13.733  -8.574
  561   1HB   PHE  73          2HB       PHE  73   3.035  11.920  -6.755
  562   2HB   PHE  73          1HB       PHE  73   3.158  13.259  -5.619
  563    HD1  PHE  73           1HD      PHE  73   2.091  15.196  -7.996
  564    HD2  PHE  73           2HD      PHE  73   0.644  11.675  -6.003
  565    HE1  PHE  73           1HE      PHE  73  -0.239  15.856  -8.526
  566    HE2  PHE  73           2HE      PHE  73  -1.689  12.338  -6.533
  567    HZ   PHE  73           HZ       PHE  73  -2.130  14.427  -7.795
  568    H    VAL  74           H        VAL  74   5.692  15.335  -8.393
  569    HA   VAL  74           HA       VAL  74   5.579  17.179  -6.131
  570    HB   VAL  74           HB       VAL  74   6.955  17.172  -8.832
  571   1HG1  VAL  74          1HG1      VAL  74   6.864  19.202  -6.641
  572   2HG1  VAL  74          2HG1      VAL  74   7.032  19.436  -8.380
  573   3HG1  VAL  74          3HG1      VAL  74   8.417  18.910  -7.424
  574   1HG2  VAL  74          1HG2      VAL  74   7.620  16.264  -6.062
  575   2HG2  VAL  74          2HG2      VAL  74   8.924  16.946  -7.036
  576   3HG2  VAL  74          3HG2      VAL  74   8.038  15.533  -7.612
  577    H    LYS  75           H        LYS  75   4.916  19.427  -6.296
  578    HA   LYS  75           HA       LYS  75   2.430  19.960  -7.477
  579   1HB   LYS  75          2HB       LYS  75   4.603  21.374  -6.164
  580   2HB   LYS  75          1HB       LYS  75   3.846  22.390  -7.392
  581   1HG   LYS  75          2HG       LYS  75   1.600  21.680  -6.386
  582   2HG   LYS  75          1HG       LYS  75   2.530  21.042  -5.029
  583   1HD   LYS  75          2HD       LYS  75   3.076  23.840  -5.942
  584   2HD   LYS  75          1HD       LYS  75   1.626  23.533  -4.986
  585   1HE   LYS  75          2HE       LYS  75   4.441  22.724  -4.166
  586   2HE   LYS  75          1HE       LYS  75   3.549  24.116  -3.522
  587   1HZ   LYS  75          1HZ       LYS  75   1.699  22.285  -3.239
  588   2HZ   LYS  75          2HZ       LYS  75   2.879  22.537  -2.044
  589   3HZ   LYS  75          3HZ       LYS  75   3.045  21.257  -3.149
  590    HA   PRO  76           HA       PRO  76   3.171  20.797 -11.719
  591   1HB   PRO  76          2HB       PRO  76   1.626  23.009 -12.186
  592   2HB   PRO  76          1HB       PRO  76   0.943  21.395 -11.910
  593   1HG   PRO  76          2HG       PRO  76   1.187  23.692 -10.037
  594   2HG   PRO  76          1HG       PRO  76  -0.120  22.512 -10.214
  595   1HD   PRO  76          2HD       PRO  76   1.762  22.411  -8.232
  596   2HD   PRO  76          1HD       PRO  76   0.898  20.986  -8.851
  Start of MODEL    8
    1    H    GLU   1           1HT      GLU   1  -8.536 -30.666  -7.593
    2    HA   GLU   1           HA       GLU   1  -6.566 -31.676  -7.057
    3   1HB   GLU   1          2HB       GLU   1  -6.212 -32.624  -9.229
    4   2HB   GLU   1          1HB       GLU   1  -5.938 -31.036  -9.948
    5   1HG   GLU   1          2HG       GLU   1  -3.836 -32.392  -9.516
    6   2HG   GLU   1          1HG       GLU   1  -3.845 -30.783  -8.797
    7    H    ARG   2           H        ARG   2  -6.195 -30.013  -5.535
    8    HA   ARG   2           HA       ARG   2  -5.428 -27.326  -6.165
    9   1HB   ARG   2          2HB       ARG   2  -5.622 -29.137  -3.850
   10   2HB   ARG   2          1HB       ARG   2  -4.386 -27.890  -3.669
   11   1HG   ARG   2          2HG       ARG   2  -5.938 -26.139  -3.877
   12   2HG   ARG   2          1HG       ARG   2  -7.137 -27.170  -4.658
   13   1HD   ARG   2          2HD       ARG   2  -7.722 -26.649  -2.272
   14   2HD   ARG   2          1HD       ARG   2  -7.493 -28.388  -2.543
   15    HE   ARG   2           HE       ARG   2  -4.986 -27.720  -1.867
   16   1HH1  ARG   2          1HH2      ARG   2  -6.769 -28.825   0.264
   17   2HH1  ARG   2          2HH2      ARG   2  -6.684 -27.599   1.486
   18   1HH2  ARG   2          1HH1      ARG   2  -5.392 -25.190  -0.647
   19   2HH2  ARG   2          2HH1      ARG   2  -5.904 -25.542   0.970
   20    H    ARG   3           H        ARG   3  -3.747 -27.741  -7.853
   21    HA   ARG   3           HA       ARG   3  -1.077 -28.301  -6.604
   22   1HB   ARG   3          2HB       ARG   3  -1.753 -30.230  -7.897
   23   2HB   ARG   3          1HB       ARG   3  -2.249 -29.212  -9.250
   24   1HG   ARG   3          2HG       ARG   3  -0.007 -30.300  -9.581
   25   2HG   ARG   3          1HG       ARG   3   0.044 -28.539  -9.659
   26   1HD   ARG   3          2HD       ARG   3   0.423 -29.672  -6.946
   27   2HD   ARG   3          1HD       ARG   3   1.732 -29.999  -8.098
   28    HE   ARG   3           HE       ARG   3   1.114 -27.315  -8.498
   29   1HH1  ARG   3          1HH2      ARG   3   0.401 -27.105  -5.652
   30   2HH1  ARG   3          2HH2      ARG   3   1.925 -26.806  -4.884
   31   1HH2  ARG   3          1HH1      ARG   3   3.800 -27.877  -7.597
   32   2HH2  ARG   3          2HH1      ARG   3   3.848 -27.244  -5.986
   33    H    ARG   4           H        ARG   4  -0.932 -25.906  -6.464
   34    HA   ARG   4           HA       ARG   4   0.018 -24.741  -9.034
   35   1HB   ARG   4          2HB       ARG   4  -2.530 -24.340  -8.253
   36   2HB   ARG   4          1HB       ARG   4  -1.752 -23.054  -7.330
   37   1HG   ARG   4          2HG       ARG   4  -1.123 -21.890  -9.214
   38   2HG   ARG   4          1HG       ARG   4  -0.962 -23.350 -10.191
   39   1HD   ARG   4          2HD       ARG   4  -2.946 -21.866 -10.804
   40   2HD   ARG   4          1HD       ARG   4  -3.375 -23.544 -10.411
   41    HE   ARG   4           HE       ARG   4  -3.405 -21.516  -8.229
   42   1HH1  ARG   4          1HH2      ARG   4  -4.449 -24.310  -7.869
   43   2HH1  ARG   4          2HH2      ARG   4  -6.157 -24.081  -8.048
   44   1HH2  ARG   4          1HH1      ARG   4  -5.851 -20.958  -9.523
   45   2HH2  ARG   4          2HH1      ARG   4  -6.950 -22.184  -8.984
   46    H    HIS   5           H        HIS   5   0.562 -22.196  -8.221
   47    HA   HIS   5           HA       HIS   5   2.126 -22.461  -5.679
   48   1HB   HIS   5          2HB       HIS   5   3.503 -22.895  -7.721
   49   2HB   HIS   5          1HB       HIS   5   3.074 -21.291  -8.316
   50    HD1  HIS   5           1HD      HIS   5   3.664 -19.291  -6.455
   51    HD2  HIS   5           2HD      HIS   5   5.806 -22.859  -6.205
   52    HE1  HIS   5           1HE      HIS   5   5.744 -18.784  -5.102
   53    H    SER   6           H        SER   6   1.558 -20.796  -4.343
   54    HA   SER   6           HA       SER   6   1.404 -18.044  -5.279
   55   1HB   SER   6          2HB       SER   6  -0.727 -18.986  -6.115
   56   2HB   SER   6          1HB       SER   6  -1.132 -19.515  -4.484
   57    HG   SER   6           HG       SER   6  -0.462 -16.830  -4.981
   58    H    GLY   7           H        GLY   7   0.396 -20.342  -2.736
   59   1HA   GLY   7          2HA       GLY   7   0.608 -20.213  -0.403
   60   2HA   GLY   7          1HA       GLY   7   1.931 -19.081  -0.690
   61    H    GLN   8           H        GLN   8  -0.657 -19.188   1.103
   62    HA   GLN   8           HA       GLN   8  -2.281 -16.940   0.368
   63   1HB   GLN   8          2HB       GLN   8  -3.035 -17.132   2.704
   64   2HB   GLN   8          1HB       GLN   8  -2.854 -18.738   1.992
   65   1HG   GLN   8          2HG       GLN   8  -1.391 -19.288   3.607
   66   2HG   GLN   8          1HG       GLN   8  -0.328 -17.982   3.085
   67   1HE2  GLN   8          1HE2      GLN   8  -3.108 -18.680   5.238
   68   2HE2  GLN   8          2HE2      GLN   8  -2.820 -17.381   6.291
   69    H    ASP   9           H        ASP   9  -0.081 -15.708  -0.258
   70    HA   ASP   9           HA       ASP   9   0.647 -14.000   2.100
   71   1HB   ASP   9          2HB       ASP   9   2.389 -14.873  -0.227
   72   2HB   ASP   9          1HB       ASP   9   2.910 -13.923   1.166
   73    H    VAL  10           H        VAL  10  -0.222 -12.006   1.719
   74    HA   VAL  10           HA       VAL  10  -0.659 -11.069  -1.033
   75    HB   VAL  10           HB       VAL  10  -1.332  -9.556   1.465
   76   1HG1  VAL  10          1HG1      VAL  10  -1.984  -8.455  -0.532
   77   2HG1  VAL  10          2HG1      VAL  10  -3.457  -9.245   0.030
   78   3HG1  VAL  10          3HG1      VAL  10  -2.520  -9.960  -1.281
   79   1HG2  VAL  10          1HG2      VAL  10  -2.344 -12.235   0.648
   80   2HG2  VAL  10          2HG2      VAL  10  -3.547 -11.060   1.177
   81   3HG2  VAL  10          3HG2      VAL  10  -2.232 -11.522   2.256
   82    H    HIS  11           H        HIS  11   1.289 -10.245  -1.862
   83    HA   HIS  11           HA       HIS  11   2.733  -8.230  -0.159
   84   1HB   HIS  11          2HB       HIS  11   3.580 -10.427  -2.011
   85   2HB   HIS  11          1HB       HIS  11   4.610  -9.001  -1.889
   86    HD1  HIS  11           1HD      HIS  11   6.322 -10.769  -0.718
   87    HD2  HIS  11           2HD      HIS  11   2.901  -9.796   1.458
   88    HE1  HIS  11           1HE      HIS  11   6.772 -11.469   1.673
   89    H    VAL  12           H        VAL  12   3.142  -6.217  -1.120
   90    HA   VAL  12           HA       VAL  12   2.739  -5.858  -4.031
   91    HB   VAL  12           HB       VAL  12   1.156  -3.969  -2.407
   92   1HG1  VAL  12          1HG1      VAL  12   0.977  -3.894  -4.788
   93   2HG1  VAL  12          2HG1      VAL  12  -0.527  -4.611  -4.211
   94   3HG1  VAL  12          3HG1      VAL  12   0.733  -5.637  -4.894
   95   1HG2  VAL  12          1HG2      VAL  12   0.099  -6.788  -2.724
   96   2HG2  VAL  12          2HG2      VAL  12  -0.608  -5.458  -1.808
   97   3HG2  VAL  12          3HG2      VAL  12   0.863  -6.235  -1.234
   98    H    VAL  13           H        VAL  13   3.179  -3.514  -4.636
   99    HA   VAL  13           HA       VAL  13   5.299  -2.383  -2.848
  100    HB   VAL  13           HB       VAL  13   4.754  -1.800  -5.771
  101   1HG1  VAL  13          1HG1      VAL  13   7.395  -1.793  -4.310
  102   2HG1  VAL  13          2HG1      VAL  13   6.329  -0.389  -4.270
  103   3HG1  VAL  13          3HG1      VAL  13   6.966  -0.970  -5.808
  104   1HG2  VAL  13          1HG2      VAL  13   5.048  -4.143  -5.796
  105   2HG2  VAL  13          2HG2      VAL  13   6.211  -4.101  -4.471
  106   3HG2  VAL  13          3HG2      VAL  13   6.677  -3.527  -6.072
  107    H    LEU  14           H        LEU  14   4.731  -0.505  -1.778
  108    HA   LEU  14           HA       LEU  14   2.483   1.116  -2.906
  109   1HB   LEU  14          2HB       LEU  14   3.490   0.565  -0.101
  110   2HB   LEU  14          1HB       LEU  14   2.229   1.734  -0.468
  111    HG   LEU  14           HG       LEU  14   0.994  -0.150  -1.658
  112   1HD1  LEU  14          1HD1      LEU  14   1.935  -2.367  -0.304
  113   2HD1  LEU  14          2HD1      LEU  14   3.418  -1.528  -0.753
  114   3HD1  LEU  14          3HD1      LEU  14   2.259  -1.995  -1.997
  115   1HD2  LEU  14          1HD2      LEU  14   0.677  -1.322   0.797
  116   2HD2  LEU  14          2HD2      LEU  14  -0.090   0.192   0.319
  117   3HD2  LEU  14          3HD2      LEU  14   1.409   0.220   1.245
  118    H    LYS  15           H        LYS  15   3.448   2.853  -3.960
  119    HA   LYS  15           HA       LYS  15   5.892   4.061  -2.867
  120   1HB   LYS  15          2HB       LYS  15   6.131   3.922  -5.145
  121   2HB   LYS  15          1HB       LYS  15   4.391   3.953  -5.420
  122   1HG   LYS  15          2HG       LYS  15   4.284   6.271  -5.379
  123   2HG   LYS  15          1HG       LYS  15   5.749   6.428  -4.410
  124   1HD   LYS  15          2HD       LYS  15   5.962   7.077  -6.877
  125   2HD   LYS  15          1HD       LYS  15   7.155   5.927  -6.273
  126   1HE   LYS  15          2HE       LYS  15   5.991   4.065  -7.270
  127   2HE   LYS  15          1HE       LYS  15   4.594   5.085  -7.671
  128   1HZ   LYS  15          1HZ       LYS  15   7.187   4.917  -8.964
  129   2HZ   LYS  15          2HZ       LYS  15   6.598   6.494  -8.734
  130   3HZ   LYS  15          3HZ       LYS  15   5.682   5.361  -9.609
  131    H    LEU  16           H        LEU  16   5.975   6.374  -2.391
  132    HA   LEU  16           HA       LEU  16   3.280   7.621  -1.936
  133   1HB   LEU  16          2HB       LEU  16   5.014   6.633  -0.018
  134   2HB   LEU  16          1HB       LEU  16   5.405   8.351  -0.047
  135    HG   LEU  16           HG       LEU  16   2.720   8.527  -0.090
  136   1HD1  LEU  16          1HD1      LEU  16   1.635   6.799   1.067
  137   2HD1  LEU  16          2HD1      LEU  16   3.140   6.178   1.744
  138   3HD1  LEU  16          3HD1      LEU  16   2.764   5.915   0.041
  139   1HD2  LEU  16          1HD2      LEU  16   3.216   8.225   2.626
  140   2HD2  LEU  16          2HD2      LEU  16   3.468   9.703   1.697
  141   3HD2  LEU  16          3HD2      LEU  16   4.809   8.588   1.963
  142    H    TRP  17           H        TRP  17   3.158   9.506  -3.070
  143    HA   TRP  17           HA       TRP  17   5.631  10.848  -3.976
  144   1HB   TRP  17          2HB       TRP  17   2.730  11.484  -4.568
  145   2HB   TRP  17          1HB       TRP  17   4.142  11.921  -5.513
  146    HD1  TRP  17           HD       TRP  17   2.258   8.777  -4.398
  147    HE1  TRP  17           1HE      TRP  17   2.559   6.981  -6.176
  148    HE3  TRP  17           3HE      TRP  17   5.408  11.139  -7.571
  149    HZ2  TRP  17           2HZ      TRP  17   3.918   6.547  -8.624
  150    HZ3  TRP  17           3HZ      TRP  17   6.205  10.031  -9.639
  151    HH2  TRP  17           HH       TRP  17   5.455   7.723 -10.167
  152    H    LYS  18           H        LYS  18   5.453  13.365  -3.906
  153    HA   LYS  18           HA       LYS  18   5.750  14.441  -1.435
  154   1HB   LYS  18          2HB       LYS  18   6.182  15.972  -3.058
  155   2HB   LYS  18          1HB       LYS  18   4.926  15.329  -4.114
  156   1HG   LYS  18          2HG       LYS  18   3.390  16.803  -3.400
  157   2HG   LYS  18          1HG       LYS  18   3.899  16.675  -1.720
  158   1HD   LYS  18          2HD       LYS  18   5.525  18.143  -3.802
  159   2HD   LYS  18          1HD       LYS  18   4.299  18.945  -2.820
  160   1HE   LYS  18          2HE       LYS  18   6.575  17.340  -1.613
  161   2HE   LYS  18          1HE       LYS  18   6.645  19.095  -1.864
  162   1HZ   LYS  18          1HZ       LYS  18   5.771  18.709   0.309
  163   2HZ   LYS  18          2HZ       LYS  18   4.632  17.592  -0.278
  164   3HZ   LYS  18          3HZ       LYS  18   4.490  19.241  -0.667
  165    H    THR  19           H        THR  19   2.581  13.982  -3.031
  166    HA   THR  19           HA       THR  19   1.295  14.291  -0.356
  167    HB   THR  19           HB       THR  19   1.131  16.494  -1.189
  168    HG1  THR  19           1HG      THR  19  -0.953  16.573  -1.119
  169   1HG2  THR  19          1HG2      THR  19   0.309  15.503  -3.917
  170   2HG2  THR  19          2HG2      THR  19   2.008  15.715  -3.494
  171   3HG2  THR  19          3HG2      THR  19   0.912  17.096  -3.466
  172    H    GLY  20           H        GLY  20   1.765  12.222  -2.669
  173   1HA   GLY  20          2HA       GLY  20  -0.910  11.055  -2.463
  174   2HA   GLY  20          1HA       GLY  20  -0.374  11.400  -4.098
  175    H    PHE  21           H        PHE  21  -0.886   8.779  -2.947
  176    HA   PHE  21           HA       PHE  21   1.883   7.635  -3.163
  177   1HB   PHE  21          2HB       PHE  21   0.535   5.732  -1.796
  178   2HB   PHE  21          1HB       PHE  21   1.378   7.057  -1.002
  179    HD1  PHE  21           1HD      PHE  21  -1.939   6.604  -2.731
  180    HD2  PHE  21           2HD      PHE  21   0.170   8.074   0.695
  181    HE1  PHE  21           1HE      PHE  21  -4.062   7.382  -1.760
  182    HE2  PHE  21           2HE      PHE  21  -1.955   8.852   1.668
  183    HZ   PHE  21           HZ       PHE  21  -4.053   8.501   0.433
  184    H    SER  22           H        SER  22   2.125   5.928  -4.633
  185    HA   SER  22           HA       SER  22  -0.299   5.256  -6.253
  186   1HB   SER  22          2HB       SER  22   1.436   6.208  -7.581
  187   2HB   SER  22          1HB       SER  22   2.678   5.252  -6.783
  188    HG   SER  22           HG       SER  22   2.213   4.289  -8.736
  189    H    LEU  23           H        LEU  23   0.020   2.968  -7.292
  190    HA   LEU  23           HA       LEU  23   1.338   0.925  -5.700
  191   1HB   LEU  23          2HB       LEU  23  -1.076   1.985  -4.744
  192   2HB   LEU  23          1HB       LEU  23  -1.497   0.432  -5.455
  193    HG   LEU  23           HG       LEU  23   0.931   0.580  -3.721
  194   1HD1  LEU  23          1HD1      LEU  23  -1.792   1.206  -2.864
  195   2HD1  LEU  23          2HD1      LEU  23  -0.275   1.355  -1.975
  196   3HD1  LEU  23          3HD1      LEU  23  -1.125  -0.189  -2.015
  197   1HD2  LEU  23          1HD2      LEU  23   0.578  -1.540  -4.702
  198   2HD2  LEU  23          2HD2      LEU  23  -1.169  -1.451  -4.478
  199   3HD2  LEU  23          3HD2      LEU  23  -0.114  -1.713  -3.090
  200    H    ASP  24           H        ASP  24   1.780  -0.617  -7.225
  201    HA   ASP  24           HA       ASP  24   1.463  -2.081  -9.058
  202   1HB   ASP  24          2HB       ASP  24  -1.076  -1.621  -7.774
  203   2HB   ASP  24          1HB       ASP  24  -1.326  -1.768  -9.516
  204    H    ASN  25           H        ASN  25   0.341  -1.989 -11.391
  205    HA   ASN  25           HA       ASN  25   1.342   0.236 -12.803
  206   1HB   ASN  25          2HB       ASN  25   0.317  -0.800 -14.645
  207   2HB   ASN  25          1HB       ASN  25   0.450  -2.135 -13.503
  208   1HD2  ASN  25          1HD2      ASN  25  -1.476  -3.233 -13.076
  209   2HD2  ASN  25          2HD2      ASN  25  -3.031  -2.613 -13.366
  210    H    GLY  26           H        GLY  26  -1.693  -0.148 -11.096
  211   1HA   GLY  26          2HA       GLY  26  -3.424   1.658 -12.233
  212   2HA   GLY  26          1HA       GLY  26  -3.235   1.541 -10.484
  213    H    ASP  27           H        ASP  27  -3.823   3.978 -11.783
  214    HA   ASP  27           HA       ASP  27  -1.472   5.573 -12.237
  215   1HB   ASP  27          2HB       ASP  27  -4.400   6.071 -11.714
  216   2HB   ASP  27          1HB       ASP  27  -3.272   7.415 -11.896
  217    H    LEU  28           H        LEU  28  -1.486   7.763 -10.757
  218    HA   LEU  28           HA       LEU  28  -0.613   6.902  -8.118
  219   1HB   LEU  28          2HB       LEU  28   0.644   8.592  -9.130
  220   2HB   LEU  28          1HB       LEU  28  -0.795   9.439  -9.664
  221    HG   LEU  28           HG       LEU  28  -0.825   9.217  -6.794
  222   1HD1  LEU  28          1HD1      LEU  28   1.486  10.870  -7.757
  223   2HD1  LEU  28          2HD1      LEU  28   1.726   9.152  -7.445
  224   3HD1  LEU  28          3HD1      LEU  28   1.178  10.215  -6.149
  225   1HD2  LEU  28          1HD2      LEU  28  -1.492  11.424  -6.948
  226   2HD2  LEU  28          2HD2      LEU  28  -1.817  10.917  -8.607
  227   3HD2  LEU  28          3HD2      LEU  28  -0.333  11.792  -8.226
  228    H    ARG  29           H        ARG  29  -1.610   7.451  -6.112
  229    HA   ARG  29           HA       ARG  29  -4.503   8.185  -6.335
  230   1HB   ARG  29          2HB       ARG  29  -2.931   6.232  -4.896
  231   2HB   ARG  29          1HB       ARG  29  -3.831   7.232  -3.754
  232   1HG   ARG  29          2HG       ARG  29  -5.263   5.393  -4.361
  233   2HG   ARG  29          1HG       ARG  29  -5.890   6.829  -5.171
  234   1HD   ARG  29          2HD       ARG  29  -5.002   6.164  -7.279
  235   2HD   ARG  29          1HD       ARG  29  -3.948   4.946  -6.534
  236    HE   ARG  29           HE       ARG  29  -6.709   4.454  -5.854
  237   1HH1  ARG  29          1HH1      ARG  29  -4.693   4.517  -8.627
  238   2HH1  ARG  29          2HH1      ARG  29  -5.304   3.034  -9.281
  239   1HH2  ARG  29          1HH2      ARG  29  -7.373   2.388  -6.574
  240   2HH2  ARG  29          2HH2      ARG  29  -6.822   1.828  -8.118
  241    H    SER  30           H        SER  30  -5.331   9.860  -5.008
  242    HA   SER  30           HA       SER  30  -3.333  11.823  -4.054
  243   1HB   SER  30          2HB       SER  30  -6.004  11.781  -5.123
  244   2HB   SER  30          1HB       SER  30  -6.024  12.623  -3.576
  245    HG   SER  30           HG       SER  30  -4.833  13.300  -5.977
  246    H    TYR  31           H        TYR  31  -2.970  12.245  -1.882
  247    HA   TYR  31           HA       TYR  31  -3.556  10.396   0.149
  248   1HB   TYR  31          2HB       TYR  31  -2.440  13.053  -0.174
  249   2HB   TYR  31          1HB       TYR  31  -3.312  12.922   1.354
  250    HD1  TYR  31           1HD      TYR  31  -2.447  11.650   3.166
  251    HD2  TYR  31           2HD      TYR  31  -0.666  11.328  -0.728
  252    HE1  TYR  31           1HE      TYR  31  -0.572  10.343   4.130
  253    HE2  TYR  31           2HE      TYR  31   1.209  10.019   0.234
  254    HH   TYR  31           HH       TYR  31   1.243   9.132   3.681
  255    H    GLN  32           H        GLN  32  -5.748  12.639  -1.277
  256    HA   GLN  32           HA       GLN  32  -7.456  12.803   1.102
  257   1HB   GLN  32          2HB       GLN  32  -7.319  14.033  -1.620
  258   2HB   GLN  32          1HB       GLN  32  -8.840  14.108  -0.729
  259   1HG   GLN  32          2HG       GLN  32  -8.044  15.765   0.566
  260   2HG   GLN  32          1HG       GLN  32  -6.671  14.767   1.043
  261   1HE2  GLN  32          1HE2      GLN  32  -6.548  17.651   0.460
  262   2HE2  GLN  32          2HE2      GLN  32  -5.509  17.836  -0.869
  263    H    ASP  33           H        ASP  33  -7.521  11.372  -2.138
  264    HA   ASP  33           HA       ASP  33 -10.075  10.453  -2.481
  265   1HB   ASP  33          2HB       ASP  33  -8.779   9.603  -4.137
  266   2HB   ASP  33          1HB       ASP  33  -7.356   9.555  -3.098
  267    HA   PRO  34           HA       PRO  34 -11.188   7.750   0.812
  268   1HB   PRO  34          2HB       PRO  34 -12.669   5.866  -0.509
  269   2HB   PRO  34          1HB       PRO  34 -13.246   7.521  -0.225
  270   1HG   PRO  34          2HG       PRO  34 -12.090   6.316  -2.689
  271   2HG   PRO  34          1HG       PRO  34 -13.413   7.481  -2.513
  272   1HD   PRO  34          2HD       PRO  34 -10.877   8.174  -3.253
  273   2HD   PRO  34          1HD       PRO  34 -11.996   9.274  -2.418
  274    H    SER  35           H        SER  35  -9.947   6.102  -2.108
  275    HA   SER  35           HA       SER  35  -9.325   3.570  -1.154
  276   1HB   SER  35          2HB       SER  35  -8.699   5.118  -3.331
  277   2HB   SER  35          1HB       SER  35  -7.120   4.960  -2.563
  278    HG   SER  35           HG       SER  35  -7.869   2.608  -2.417
  279    H    ASN  36           H        ASN  36  -7.951   6.631  -0.198
  280    HA   ASN  36           HA       ASN  36  -5.544   5.725   1.040
  281   1HB   ASN  36          2HB       ASN  36  -7.294   8.038   1.892
  282   2HB   ASN  36          1HB       ASN  36  -5.534   7.927   1.974
  283   1HD2  ASN  36          1HD2      ASN  36  -6.867  10.065   0.580
  284   2HD2  ASN  36          2HD2      ASN  36  -6.518   9.907  -1.073
  285    H    ALA  37           H        ALA  37  -8.766   5.083   1.841
  286    HA   ALA  37           HA       ALA  37  -8.796   5.222   4.674
  287   1HB   ALA  37          1HB       ALA  37 -10.753   3.908   4.430
  288   2HB   ALA  37          2HB       ALA  37 -10.111   3.065   3.020
  289   3HB   ALA  37          3HB       ALA  37 -10.628   4.749   2.883
  290    H    GLN  38           H        GLN  38  -8.208   2.357   2.605
  291    HA   GLN  38           HA       GLN  38  -6.923   0.959   4.878
  292   1HB   GLN  38          2HB       GLN  38  -8.477   0.112   2.844
  293   2HB   GLN  38          1HB       GLN  38  -6.899  -0.115   2.090
  294   1HG   GLN  38          2HG       GLN  38  -7.610  -2.164   3.292
  295   2HG   GLN  38          1HG       GLN  38  -6.162  -1.471   4.023
  296   1HE2  GLN  38          1HE2      GLN  38  -9.398  -0.058   4.453
  297   2HE2  GLN  38          2HE2      GLN  38  -9.520  -0.417   6.106
  298    H    PHE  39           H        PHE  39  -6.051   2.707   1.964
  299    HA   PHE  39           HA       PHE  39  -3.342   1.788   1.720
  300   1HB   PHE  39          2HB       PHE  39  -4.877   3.184   0.139
  301   2HB   PHE  39          1HB       PHE  39  -4.311   4.567   1.072
  302    HD1  PHE  39           1HD      PHE  39  -1.521   3.845   1.668
  303    HD2  PHE  39           2HD      PHE  39  -3.784   3.335  -1.952
  304    HE1  PHE  39           1HE      PHE  39   0.576   3.888   0.349
  305    HE2  PHE  39           2HE      PHE  39  -1.686   3.381  -3.267
  306    HZ   PHE  39           HZ       PHE  39   0.494   3.656  -2.118
  307    H    LEU  40           H        LEU  40  -4.601   4.823   3.117
  308    HA   LEU  40           HA       LEU  40  -2.138   5.539   4.373
  309   1HB   LEU  40          2HB       LEU  40  -4.516   6.669   3.667
  310   2HB   LEU  40          1HB       LEU  40  -4.658   6.568   5.410
  311    HG   LEU  40           HG       LEU  40  -2.988   8.106   5.782
  312   1HD1  LEU  40          1HD1      LEU  40  -1.762   6.986   3.260
  313   2HD1  LEU  40          2HD1      LEU  40  -1.099   6.990   4.895
  314   3HD1  LEU  40          3HD1      LEU  40  -1.172   8.489   3.970
  315   1HD2  LEU  40          1HD2      LEU  40  -4.226   9.637   4.642
  316   2HD2  LEU  40          2HD2      LEU  40  -4.395   8.582   3.237
  317   3HD2  LEU  40          3HD2      LEU  40  -2.930   9.542   3.449
  318    H    GLU  41           H        GLU  41  -5.195   4.300   5.726
  319    HA   GLU  41           HA       GLU  41  -4.196   4.131   8.414
  320   1HB   GLU  41          2HB       GLU  41  -6.497   2.610   7.190
  321   2HB   GLU  41          1HB       GLU  41  -6.335   3.159   8.859
  322   1HG   GLU  41          2HG       GLU  41  -6.633   4.920   6.413
  323   2HG   GLU  41          1HG       GLU  41  -7.848   4.652   7.662
  324    H    SER  42           H        SER  42  -5.073   1.531   6.147
  325    HA   SER  42           HA       SER  42  -4.042  -0.602   7.684
  326   1HB   SER  42          2HB       SER  42  -5.377  -0.244   5.304
  327   2HB   SER  42          1HB       SER  42  -3.828  -0.891   4.767
  328    HG   SER  42           HG       SER  42  -5.072  -2.637   5.237
  329    H    ILE  43           H        ILE  43  -2.395   1.447   5.281
  330    HA   ILE  43           HA       ILE  43   0.017  -0.049   5.150
  331    HB   ILE  43           HB       ILE  43  -0.867   2.725   4.635
  332   1HG1  ILE  43          2HG1      ILE  43   0.094   0.349   3.083
  333   2HG1  ILE  43          1HG1      ILE  43  -1.351   1.325   2.829
  334   1HG2  ILE  43          1HG2      ILE  43   2.000   1.789   4.490
  335   2HG2  ILE  43          2HG2      ILE  43   1.364   2.995   5.608
  336   3HG2  ILE  43          3HG2      ILE  43   1.398   3.330   3.878
  337   1HD1  ILE  43          1HD1      ILE  43   0.167   3.236   2.170
  338   2HD1  ILE  43          2HD1      ILE  43   0.197   1.865   1.064
  339   3HD1  ILE  43          3HD1      ILE  43   1.512   2.097   2.216
  340    H    ARG  44           H        ARG  44  -0.901   2.721   7.178
  341    HA   ARG  44           HA       ARG  44   1.474   3.071   8.633
  342   1HB   ARG  44          2HB       ARG  44  -1.396   3.608   8.912
  343   2HB   ARG  44          1HB       ARG  44  -0.581   3.431  10.467
  344   1HG   ARG  44          2HG       ARG  44   1.061   5.000   8.689
  345   2HG   ARG  44          1HG       ARG  44  -0.559   5.695   8.768
  346   1HD   ARG  44          2HD       ARG  44   0.945   4.879  11.268
  347   2HD   ARG  44          1HD       ARG  44   1.080   6.506  10.570
  348    HE   ARG  44           HE       ARG  44  -1.688   5.694  10.780
  349   1HH1  ARG  44          1HH1      ARG  44   0.120   8.230  11.566
  350   2HH1  ARG  44          2HH1      ARG  44  -0.421   8.424  13.200
  351   1HH2  ARG  44          1HH2      ARG  44  -2.010   5.343  13.318
  352   2HH2  ARG  44          2HH2      ARG  44  -1.627   6.789  14.192
  353    H    ARG  45           H        ARG  45  -1.176   0.781   9.186
  354    HA   ARG  45           HA       ARG  45   0.111  -0.431  11.499
  355   1HB   ARG  45          2HB       ARG  45  -2.435  -0.378  10.179
  356   2HB   ARG  45          1HB       ARG  45  -1.941  -2.058  10.384
  357   1HG   ARG  45          2HG       ARG  45  -1.355  -0.511  12.769
  358   2HG   ARG  45          1HG       ARG  45  -3.063  -0.397  12.347
  359   1HD   ARG  45          2HD       ARG  45  -2.356  -2.389  13.845
  360   2HD   ARG  45          1HD       ARG  45  -3.344  -2.774  12.422
  361    HE   ARG  45           HE       ARG  45  -0.550  -2.767  11.721
  362   1HH1  ARG  45          1HH2      ARG  45  -2.301  -4.847  10.660
  363   2HH1  ARG  45          2HH2      ARG  45  -1.862  -6.254  11.571
  364   1HH2  ARG  45          1HH1      ARG  45  -0.271  -4.460  14.076
  365   2HH2  ARG  45          2HH1      ARG  45  -0.713  -6.034  13.505
  366    H    GLY  46           H        GLY  46   0.380  -0.727   8.114
  367   1HA   GLY  46          2HA       GLY  46   2.151  -2.064   7.131
  368   2HA   GLY  46          1HA       GLY  46   1.917  -3.218   8.432
  369    H    GLU  47           H        GLU  47  -0.336  -1.686   6.149
  370    HA   GLU  47           HA       GLU  47  -1.062  -4.398   5.128
  371   1HB   GLU  47          2HB       GLU  47  -2.882  -2.284   6.314
  372   2HB   GLU  47          1HB       GLU  47  -3.472  -3.687   5.426
  373   1HG   GLU  47          2HG       GLU  47  -2.987  -5.131   7.125
  374   2HG   GLU  47          1HG       GLU  47  -1.528  -4.259   7.590
  375    H    VAL  48           H        VAL  48  -1.919  -4.353   2.995
  376    HA   VAL  48           HA       VAL  48  -1.278  -1.972   1.425
  377    HB   VAL  48           HB       VAL  48  -2.041  -4.838   0.873
  378   1HG1  VAL  48          1HG1      VAL  48  -2.911  -2.973  -0.812
  379   2HG1  VAL  48          2HG1      VAL  48  -2.196  -4.468  -1.409
  380   3HG1  VAL  48          3HG1      VAL  48  -1.229  -2.995  -1.342
  381   1HG2  VAL  48          1HG2      VAL  48   0.430  -3.200   0.233
  382   2HG2  VAL  48          2HG2      VAL  48   0.230  -4.930  -0.042
  383   3HG2  VAL  48          3HG2      VAL  48   0.278  -4.298   1.602
  384    HA   PRO  49           HA       PRO  49  -5.437  -0.577   1.072
  385   1HB   PRO  49          2HB       PRO  49  -5.249   0.740  -1.308
  386   2HB   PRO  49          1HB       PRO  49  -4.535   1.353   0.195
  387   1HG   PRO  49          2HG       PRO  49  -3.236  -0.085  -2.064
  388   2HG   PRO  49          1HG       PRO  49  -2.639   1.273  -1.102
  389   1HD   PRO  49          2HD       PRO  49  -1.844  -1.301  -0.704
  390   2HD   PRO  49          1HD       PRO  49  -1.879  -0.078   0.580
  391    H    ALA  50           H        ALA  50  -4.180  -1.807  -2.053
  392    HA   ALA  50           HA       ALA  50  -6.919  -2.799  -2.693
  393   1HB   ALA  50          1HB       ALA  50  -5.408  -1.297  -4.165
  394   2HB   ALA  50          2HB       ALA  50  -6.211  -2.664  -4.940
  395   3HB   ALA  50          3HB       ALA  50  -4.506  -2.777  -4.500
  396    H    GLU  51           H        GLU  51  -3.614  -4.051  -3.295
  397    HA   GLU  51           HA       GLU  51  -4.276  -6.715  -3.805
  398   1HB   GLU  51          2HB       GLU  51  -1.965  -5.126  -3.127
  399   2HB   GLU  51          1HB       GLU  51  -1.855  -6.707  -2.350
  400   1HG   GLU  51          2HG       GLU  51  -2.816  -6.849  -5.118
  401   2HG   GLU  51          1HG       GLU  51  -1.189  -6.180  -4.980
  402    H    LEU  52           H        LEU  52  -4.450  -5.081  -0.733
  403    HA   LEU  52           HA       LEU  52  -4.223  -7.487   0.878
  404   1HB   LEU  52          2HB       LEU  52  -4.332  -5.966   2.612
  405   2HB   LEU  52          1HB       LEU  52  -3.951  -4.838   1.314
  406    HG   LEU  52           HG       LEU  52  -6.794  -5.546   2.002
  407   1HD1  LEU  52          1HD1      LEU  52  -6.800  -4.173   3.805
  408   2HD1  LEU  52          2HD1      LEU  52  -5.841  -2.956   2.960
  409   3HD1  LEU  52          3HD1      LEU  52  -5.041  -4.306   3.763
  410   1HD2  LEU  52          1HD2      LEU  52  -7.280  -4.096   0.361
  411   2HD2  LEU  52          2HD2      LEU  52  -5.557  -4.007  -0.007
  412   3HD2  LEU  52          3HD2      LEU  52  -6.277  -2.860   1.119
  413    H    ARG  53           H        ARG  53  -6.822  -5.593  -0.562
  414    HA   ARG  53           HA       ARG  53  -8.966  -7.021   0.714
  415   1HB   ARG  53          2HB       ARG  53  -9.394  -4.851  -0.205
  416   2HB   ARG  53          1HB       ARG  53  -8.661  -5.287  -1.749
  417   1HG   ARG  53          2HG       ARG  53 -10.489  -6.626  -2.384
  418   2HG   ARG  53          1HG       ARG  53 -11.078  -6.766  -0.726
  419   1HD   ARG  53          2HD       ARG  53 -12.541  -5.122  -1.388
  420   2HD   ARG  53          1HD       ARG  53 -11.160  -4.046  -1.086
  421    HE   ARG  53           HE       ARG  53 -11.110  -5.278  -3.737
  422   1HH1  ARG  53          1HH1      ARG  53 -13.725  -3.749  -3.440
  423   2HH1  ARG  53          2HH1      ARG  53 -13.271  -2.186  -4.031
  424   1HH2  ARG  53          1HH2      ARG  53  -9.866  -2.793  -3.793
  425   2HH2  ARG  53          2HH2      ARG  53 -11.086  -1.645  -4.231
  426    H    ARG  54           H        ARG  54  -6.894  -7.530  -2.036
  427    HA   ARG  54           HA       ARG  54  -8.459  -9.484  -3.428
  428   1HB   ARG  54          2HB       ARG  54  -5.571  -8.667  -3.279
  429   2HB   ARG  54          1HB       ARG  54  -6.041 -10.064  -4.246
  430   1HG   ARG  54          2HG       ARG  54  -7.689  -8.638  -5.452
  431   2HG   ARG  54          1HG       ARG  54  -7.114  -7.244  -4.538
  432   1HD   ARG  54          2HD       ARG  54  -5.614  -6.974  -6.235
  433   2HD   ARG  54          1HD       ARG  54  -4.769  -8.369  -5.538
  434    HE   ARG  54           HE       ARG  54  -6.915  -9.338  -7.118
  435   1HH1  ARG  54          1HH1      ARG  54  -3.693  -8.185  -7.197
  436   2HH1  ARG  54          2HH1      ARG  54  -3.446  -8.563  -8.870
  437   1HH2  ARG  54          1HH2      ARG  54  -6.709  -9.623  -9.383
  438   2HH2  ARG  54          2HH2      ARG  54  -5.153  -9.378 -10.107
  439    H    LEU  55           H        LEU  55  -5.577  -9.947  -1.366
  440    HA   LEU  55           HA       LEU  55  -6.445 -12.723  -0.873
  441   1HB   LEU  55          2HB       LEU  55  -3.881 -11.180  -0.719
  442   2HB   LEU  55          1HB       LEU  55  -4.027 -12.722   0.123
  443    HG   LEU  55           HG       LEU  55  -4.496 -12.261  -2.837
  444   1HD1  LEU  55          1HD1      LEU  55  -2.151 -12.256  -2.455
  445   2HD1  LEU  55          2HD1      LEU  55  -2.522 -13.912  -2.932
  446   3HD1  LEU  55          3HD1      LEU  55  -2.267 -13.520  -1.232
  447   1HD2  LEU  55          1HD2      LEU  55  -5.967 -14.005  -2.253
  448   2HD2  LEU  55          2HD2      LEU  55  -4.880 -14.630  -1.012
  449   3HD2  LEU  55          3HD2      LEU  55  -4.503 -14.870  -2.718
  450    H    ALA  56           H        ALA  56  -5.082 -10.006   0.993
  451    HA   ALA  56           HA       ALA  56  -5.470 -10.974   3.592
  452   1HB   ALA  56          1HB       ALA  56  -6.133  -8.210   3.546
  453   2HB   ALA  56          2HB       ALA  56  -4.983  -8.491   2.239
  454   3HB   ALA  56          3HB       ALA  56  -4.562  -8.933   3.893
  455    H    HIS  57           H        HIS  57  -7.730  -8.786   1.913
  456    HA   HIS  57           HA       HIS  57 -10.118  -8.844   1.878
  457   1HB   HIS  57          2HB       HIS  57  -9.382 -11.408   2.374
  458   2HB   HIS  57          1HB       HIS  57 -10.222 -11.028   3.877
  459    HD1  HIS  57           1HD      HIS  57 -10.956 -10.147   0.226
  460    HD2  HIS  57           2HD      HIS  57 -12.845 -11.813   3.548
  461    HE1  HIS  57           1HE      HIS  57 -13.344 -10.625  -0.471
  462    H    GLY  58           H        GLY  58  -8.805  -7.049   3.580
  463   1HA   GLY  58          2HA       GLY  58 -10.709  -6.157   5.340
  464   2HA   GLY  58          1HA       GLY  58  -9.804  -7.329   6.286
  465    H    GLY  59           H        GLY  59  -7.348  -7.013   6.129
  466   1HA   GLY  59          2HA       GLY  59  -6.113  -4.594   5.425
  467   2HA   GLY  59          1HA       GLY  59  -6.737  -4.367   7.049
  468    H    GLN  60           H        GLN  60  -4.996  -6.907   5.274
  469    HA   GLN  60           HA       GLN  60  -2.895  -6.890   7.328
  470   1HB   GLN  60          2HB       GLN  60  -4.924  -9.046   6.873
  471   2HB   GLN  60          1HB       GLN  60  -3.302  -9.501   7.395
  472   1HG   GLN  60          2HG       GLN  60  -4.022  -7.317   9.020
  473   2HG   GLN  60          1HG       GLN  60  -5.455  -8.345   8.949
  474   1HE2  GLN  60          1HE2      GLN  60  -1.978  -8.364   9.782
  475   2HE2  GLN  60          2HE2      GLN  60  -2.055  -9.749  10.760
  476    H    VAL  61           H        VAL  61  -1.521  -6.264   5.496
  477    HA   VAL  61           HA       VAL  61  -0.650  -8.580   3.921
  478    HB   VAL  61           HB       VAL  61  -1.855  -6.051   2.813
  479   1HG1  VAL  61          1HG1      VAL  61  -0.851  -8.002   0.866
  480   2HG1  VAL  61          2HG1      VAL  61   0.431  -7.218   1.784
  481   3HG1  VAL  61          3HG1      VAL  61  -0.715  -6.248   0.865
  482   1HG2  VAL  61          1HG2      VAL  61  -2.876  -8.116   1.406
  483   2HG2  VAL  61          2HG2      VAL  61  -3.596  -7.528   2.902
  484   3HG2  VAL  61          3HG2      VAL  61  -2.535  -8.935   2.927
  485    H    ASN  62           H        ASN  62   1.510  -8.341   3.115
  486    HA   ASN  62           HA       ASN  62   3.136  -6.342   4.536
  487   1HB   ASN  62          2HB       ASN  62   3.415  -8.917   3.207
  488   2HB   ASN  62          1HB       ASN  62   4.695  -7.808   2.716
  489   1HD2  ASN  62          1HD2      ASN  62   3.489  -9.748   5.352
  490   2HD2  ASN  62          2HD2      ASN  62   4.695  -9.335   6.474
  491    H    LEU  63           H        LEU  63   3.032  -4.296   3.597
  492    HA   LEU  63           HA       LEU  63   3.004  -4.049   0.666
  493   1HB   LEU  63          2HB       LEU  63   2.566  -1.628   1.322
  494   2HB   LEU  63          1HB       LEU  63   1.347  -2.789   1.845
  495    HG   LEU  63           HG       LEU  63   3.556  -2.480   3.750
  496   1HD1  LEU  63          1HD1      LEU  63   1.835  -0.124   2.963
  497   2HD1  LEU  63          2HD1      LEU  63   3.587  -0.177   3.146
  498   3HD1  LEU  63          3HD1      LEU  63   2.547  -0.262   4.568
  499   1HD2  LEU  63          1HD2      LEU  63   1.895  -3.090   5.156
  500   2HD2  LEU  63          2HD2      LEU  63   0.925  -3.355   3.707
  501   3HD2  LEU  63          3HD2      LEU  63   0.825  -1.817   4.566
  502    H    ASP  64           H        ASP  64   4.625  -2.885  -0.459
  503    HA   ASP  64           HA       ASP  64   7.206  -2.632   0.922
  504   1HB   ASP  64          2HB       ASP  64   6.453  -3.575  -1.516
  505   2HB   ASP  64          1HB       ASP  64   6.871  -1.912  -1.936
  506    H    MET  65           H        MET  65   8.476  -0.522   0.329
  507    HA   MET  65           HA       MET  65   6.577   1.792   0.163
  508   1HB   MET  65          2HB       MET  65   8.656   1.065   2.202
  509   2HB   MET  65          1HB       MET  65   8.333   2.770   1.889
  510   1HG   MET  65          2HG       MET  65   6.010   0.928   2.313
  511   2HG   MET  65          1HG       MET  65   6.937   1.454   3.717
  512   1HE   MET  65          1HE       MET  65   3.705   2.232   2.227
  513   2HE   MET  65          2HE       MET  65   3.553   3.494   3.448
  514   3HE   MET  65          3HE       MET  65   4.251   1.934   3.883
  515    H    GLU  66           H        GLU  66   7.164   2.670  -1.808
  516    HA   GLU  66           HA       GLU  66   9.970   2.751  -2.640
  517   1HB   GLU  66          2HB       GLU  66   7.269   3.237  -3.808
  518   2HB   GLU  66          1HB       GLU  66   8.641   4.037  -4.578
  519   1HG   GLU  66          2HG       GLU  66   9.164   1.223  -3.930
  520   2HG   GLU  66          1HG       GLU  66   7.833   1.437  -5.067
  521    H    ASP  67           H        ASP  67  11.240   4.471  -2.056
  522    HA   ASP  67           HA       ASP  67  10.173   6.825  -0.781
  523   1HB   ASP  67          2HB       ASP  67  12.715   5.539  -1.354
  524   2HB   ASP  67          1HB       ASP  67  12.825   7.285  -1.572
  525    H    HIS  68           H        HIS  68   9.154   8.410  -1.938
  526    HA   HIS  68           HA       HIS  68  10.472   9.596  -4.286
  527   1HB   HIS  68          2HB       HIS  68   8.229   7.677  -4.377
  528   2HB   HIS  68          1HB       HIS  68   7.975   9.134  -5.333
  529    HD1  HIS  68           1HD      HIS  68  10.563   9.750  -6.589
  530    HD2  HIS  68           2HD      HIS  68   9.354   5.799  -6.038
  531    HE1  HIS  68           1HE      HIS  68  11.887   8.358  -8.240
  532    H    ARG  69           H        ARG  69  10.091  11.054  -2.053
  533    HA   ARG  69           HA       ARG  69   7.448  12.340  -2.149
  534   1HB   ARG  69          2HB       ARG  69   9.474  13.366  -0.289
  535   2HB   ARG  69          1HB       ARG  69   7.832  12.823   0.042
  536   1HG   ARG  69          2HG       ARG  69  10.312  11.112  -0.273
  537   2HG   ARG  69          1HG       ARG  69   9.329  11.317   1.174
  538   1HD   ARG  69          2HD       ARG  69   8.896   9.552  -1.143
  539   2HD   ARG  69          1HD       ARG  69   8.261   9.418   0.503
  540    HE   ARG  69           HE       ARG  69   6.957  10.782  -1.739
  541   1HH1  ARG  69          1HH1      ARG  69   6.396   9.359   1.180
  542   2HH1  ARG  69          2HH1      ARG  69   5.267  10.531   1.772
  543   1HH2  ARG  69          1HH2      ARG  69   5.901  12.809  -0.761
  544   2HH2  ARG  69          2HH2      ARG  69   4.988  12.486   0.672
  545    H    ASP  70           H        ASP  70  10.777  13.557  -1.886
  546    HA   ASP  70           HA       ASP  70   9.989  16.090  -3.166
  547   1HB   ASP  70          2HB       ASP  70  12.583  14.962  -2.068
  548   2HB   ASP  70          1HB       ASP  70  12.404  16.611  -2.665
  549    H    GLU  71           H        GLU  71  10.429  13.197  -4.501
  550    HA   GLU  71           HA       GLU  71  11.897  14.334  -6.859
  551   1HB   GLU  71          2HB       GLU  71  12.127  11.559  -5.652
  552   2HB   GLU  71          1HB       GLU  71  13.012  12.145  -7.064
  553   1HG   GLU  71          2HG       GLU  71  13.810  14.055  -5.483
  554   2HG   GLU  71          1HG       GLU  71  13.302  12.975  -4.184
  555    H    ASP  72           H        ASP  72   9.018  12.997  -5.765
  556    HA   ASP  72           HA       ASP  72   8.342  12.134  -8.517
  557   1HB   ASP  72          2HB       ASP  72   8.650  10.561  -6.179
  558   2HB   ASP  72          1HB       ASP  72   6.930  10.593  -6.559
  559    H    PHE  73           H        PHE  73   6.354  12.873  -9.232
  560    HA   PHE  73           HA       PHE  73   4.335  14.099  -9.223
  561   1HB   PHE  73          2HB       PHE  73   3.835  12.051  -7.861
  562   2HB   PHE  73          1HB       PHE  73   4.250  12.962  -6.414
  563    HD1  PHE  73           1HD      PHE  73   1.713  11.987  -6.129
  564    HD2  PHE  73           2HD      PHE  73   2.897  15.306  -8.589
  565    HE1  PHE  73           1HE      PHE  73  -0.598  12.889  -6.030
  566    HE2  PHE  73           2HE      PHE  73   0.588  16.205  -8.490
  567    HZ   PHE  73           HZ       PHE  73  -1.159  14.996  -7.211
  568    H    VAL  74           H        VAL  74   4.388  16.304  -9.137
  569    HA   VAL  74           HA       VAL  74   4.614  18.493  -8.284
  570    HB   VAL  74           HB       VAL  74   4.213  16.871  -5.750
  571   1HG1  VAL  74          1HG1      VAL  74   3.693  18.945  -4.633
  572   2HG1  VAL  74          2HG1      VAL  74   3.851  19.853  -6.136
  573   3HG1  VAL  74          3HG1      VAL  74   5.276  19.135  -5.386
  574   1HG2  VAL  74          1HG2      VAL  74   1.938  17.183  -6.071
  575   2HG2  VAL  74          2HG2      VAL  74   2.469  17.097  -7.750
  576   3HG2  VAL  74          3HG2      VAL  74   2.167  18.665  -7.000
  577    H    LYS  75           H        LYS  75   6.715  19.163  -8.673
  578    HA   LYS  75           HA       LYS  75   9.117  18.050  -7.743
  579   1HB   LYS  75          2HB       LYS  75   8.126  20.566  -8.878
  580   2HB   LYS  75          1HB       LYS  75   9.560  20.791  -7.875
  581   1HG   LYS  75          2HG       LYS  75  10.751  19.067  -9.151
  582   2HG   LYS  75          1HG       LYS  75   9.310  18.773 -10.125
  583   1HD   LYS  75          2HD       LYS  75  10.474  21.542  -9.946
  584   2HD   LYS  75          1HD       LYS  75  11.155  20.363 -11.068
  585   1HE   LYS  75          2HE       LYS  75   9.385  20.543 -12.485
  586   2HE   LYS  75          1HE       LYS  75   8.213  20.482 -11.154
  587   1HZ   LYS  75          1HZ       LYS  75   8.514  22.735 -10.684
  588   2HZ   LYS  75          2HZ       LYS  75   8.456  22.688 -12.381
  589   3HZ   LYS  75          3HZ       LYS  75   9.948  22.837 -11.583
  590    HA   PRO  76           HA       PRO  76   9.599  19.247  -3.548
  591   1HB   PRO  76          2HB       PRO  76  12.078  20.402  -3.433
  592   2HB   PRO  76          1HB       PRO  76  11.833  18.659  -3.672
  593   1HG   PRO  76          2HG       PRO  76  12.484  20.770  -5.665
  594   2HG   PRO  76          1HG       PRO  76  13.058  19.099  -5.562
  595   1HD   PRO  76          2HD       PRO  76  11.111  19.932  -7.288
  596   2HD   PRO  76          1HD       PRO  76  11.241  18.270  -6.671
  Start of MODEL    9
    1    H    GLU   1           1HT      GLU   1 -18.343 -18.798   6.042
    2    HA   GLU   1           HA       GLU   1 -17.524 -21.119   6.997
    3   1HB   GLU   1          2HB       GLU   1 -15.955 -20.425   4.577
    4   2HB   GLU   1          1HB       GLU   1 -15.010 -20.959   5.967
    5   1HG   GLU   1          2HG       GLU   1 -15.487 -23.015   5.032
    6   2HG   GLU   1          1HG       GLU   1 -16.903 -22.837   6.068
    7    H    ARG   2           H        ARG   2 -15.003 -18.828   6.021
    8    HA   ARG   2           HA       ARG   2 -14.965 -17.799   8.839
    9   1HB   ARG   2          2HB       ARG   2 -12.922 -18.556   6.793
   10   2HB   ARG   2          1HB       ARG   2 -12.516 -17.236   7.893
   11   1HG   ARG   2          2HG       ARG   2 -13.552 -19.925   8.830
   12   2HG   ARG   2          1HG       ARG   2 -11.836 -19.533   8.712
   13   1HD   ARG   2          2HD       ARG   2 -13.722 -17.747  10.257
   14   2HD   ARG   2          1HD       ARG   2 -12.959 -19.159  11.015
   15    HE   ARG   2           HE       ARG   2 -11.271 -17.162   9.575
   16   1HH1  ARG   2          1HH2      ARG   2 -11.016 -19.731  11.597
   17   2HH1  ARG   2          2HH2      ARG   2 -10.142 -18.924  12.857
   18   1HH2  ARG   2          1HH1      ARG   2 -10.644 -15.755  11.542
   19   2HH2  ARG   2          2HH1      ARG   2  -9.932 -16.674  12.826
   20    H    ARG   3           H        ARG   3 -13.807 -16.685   5.631
   21    HA   ARG   3           HA       ARG   3 -15.425 -14.233   5.817
   22   1HB   ARG   3          2HB       ARG   3 -12.474 -14.398   6.369
   23   2HB   ARG   3          1HB       ARG   3 -13.136 -12.936   5.634
   24   1HG   ARG   3          2HG       ARG   3 -13.584 -12.289   7.761
   25   2HG   ARG   3          1HG       ARG   3 -14.928 -13.428   7.670
   26   1HD   ARG   3          2HD       ARG   3 -13.971 -14.686   9.289
   27   2HD   ARG   3          1HD       ARG   3 -12.524 -14.891   8.279
   28    HE   ARG   3           HE       ARG   3 -11.633 -12.808   9.242
   29   1HH1  ARG   3          1HH2      ARG   3 -12.208 -14.538  11.634
   30   2HH1  ARG   3          2HH2      ARG   3 -13.071 -13.445  12.665
   31   1HH2  ARG   3          1HH1      ARG   3 -13.753 -11.176  10.133
   32   2HH2  ARG   3          2HH1      ARG   3 -13.946 -11.542  11.815
   33    H    ARG   4           H        ARG   4 -12.368 -15.257   4.242
   34    HA   ARG   4           HA       ARG   4 -13.685 -15.423   1.617
   35   1HB   ARG   4          2HB       ARG   4 -12.340 -13.026   2.636
   36   2HB   ARG   4          1HB       ARG   4 -11.673 -13.576   1.097
   37   1HG   ARG   4          2HG       ARG   4 -14.651 -13.332   1.523
   38   2HG   ARG   4          1HG       ARG   4 -13.679 -11.958   0.994
   39   1HD   ARG   4          2HD       ARG   4 -13.960 -12.757  -1.117
   40   2HD   ARG   4          1HD       ARG   4 -12.842 -14.058  -0.659
   41    HE   ARG   4           HE       ARG   4 -15.293 -14.854   0.390
   42   1HH1  ARG   4          1HH2      ARG   4 -15.541 -13.181  -2.404
   43   2HH1  ARG   4          2HH2      ARG   4 -15.987 -14.512  -3.419
   44   1HH2  ARG   4          1HH1      ARG   4 -15.238 -16.921  -1.041
   45   2HH2  ARG   4          2HH1      ARG   4 -15.815 -16.629  -2.648
   46    H    HIS   5           H        HIS   5 -12.377 -17.472   2.850
   47    HA   HIS   5           HA       HIS   5 -10.599 -19.007   2.583
   48   1HB   HIS   5          2HB       HIS   5 -11.466 -18.323   0.197
   49   2HB   HIS   5          1HB       HIS   5  -9.922 -17.480   0.081
   50    HD1  HIS   5           1HD      HIS   5  -7.809 -18.895  -0.176
   51    HD2  HIS   5           2HD      HIS   5 -11.228 -21.194   0.454
   52    HE1  HIS   5           1HE      HIS   5  -7.141 -21.302  -0.598
   53    H    SER   6           H        SER   6  -9.518 -17.817   4.434
   54    HA   SER   6           HA       SER   6  -7.619 -15.722   4.064
   55   1HB   SER   6          2HB       SER   6  -8.704 -16.941   6.159
   56   2HB   SER   6          1HB       SER   6  -7.237 -17.909   6.082
   57    HG   SER   6           HG       SER   6  -6.408 -16.279   7.129
   58    H    GLY   7           H        GLY   7  -5.272 -15.875   3.959
   59   1HA   GLY   7          2HA       GLY   7  -4.033 -18.470   3.387
   60   2HA   GLY   7          1HA       GLY   7  -4.111 -17.384   1.997
   61    H    GLN   8           H        GLN   8  -1.639 -17.735   2.390
   62    HA   GLN   8           HA       GLN   8  -0.682 -15.423   4.026
   63   1HB   GLN   8          2HB       GLN   8   1.219 -16.976   4.720
   64   2HB   GLN   8          1HB       GLN   8  -0.360 -17.371   5.400
   65   1HG   GLN   8          2HG       GLN   8  -0.020 -18.644   2.819
   66   2HG   GLN   8          1HG       GLN   8   1.304 -19.077   3.903
   67   1HE2  GLN   8          1HE2      GLN   8   0.844 -20.834   5.225
   68   2HE2  GLN   8          2HE2      GLN   8  -0.709 -21.304   5.723
   69    H    ASP   9           H        ASP   9  -0.646 -14.550   1.712
   70    HA   ASP   9           HA       ASP   9   2.040 -14.724   0.632
   71   1HB   ASP   9          2HB       ASP   9  -0.133 -16.433  -0.339
   72   2HB   ASP   9          1HB       ASP   9   0.663 -15.522  -1.619
   73    H    VAL  10           H        VAL  10  -0.015 -12.815   1.467
   74    HA   VAL  10           HA       VAL  10  -0.725 -11.353  -0.981
   75    HB   VAL  10           HB       VAL  10  -2.274 -11.761   0.961
   76   1HG1  VAL  10          1HG1      VAL  10  -1.889 -10.831   3.053
   77   2HG1  VAL  10          2HG1      VAL  10  -0.827  -9.576   2.414
   78   3HG1  VAL  10          3HG1      VAL  10  -0.243 -11.232   2.568
   79   1HG2  VAL  10          1HG2      VAL  10  -3.324  -9.668   0.732
   80   2HG2  VAL  10          2HG2      VAL  10  -2.329  -9.767  -0.722
   81   3HG2  VAL  10          3HG2      VAL  10  -1.788  -8.807   0.650
   82    H    HIS  11           H        HIS  11   1.269 -10.465  -1.710
   83    HA   HIS  11           HA       HIS  11   2.485  -8.415   0.107
   84   1HB   HIS  11          2HB       HIS  11   3.628 -10.799  -0.504
   85   2HB   HIS  11          1HB       HIS  11   4.201  -9.835  -1.864
   86    HD1  HIS  11           1HD      HIS  11   6.055 -10.841   0.509
   87    HD2  HIS  11           2HD      HIS  11   4.391  -7.032   0.184
   88    HE1  HIS  11           1HE      HIS  11   7.506  -9.304   1.905
   89    H    VAL  12           H        VAL  12   3.035  -6.465  -0.952
   90    HA   VAL  12           HA       VAL  12   3.030  -6.329  -3.900
   91    HB   VAL  12           HB       VAL  12   0.623  -6.312  -2.995
   92   1HG1  VAL  12          1HG1      VAL  12   1.149  -3.429  -2.356
   93   2HG1  VAL  12          2HG1      VAL  12   1.465  -4.652  -1.125
   94   3HG1  VAL  12          3HG1      VAL  12  -0.155  -4.476  -1.797
   95   1HG2  VAL  12          1HG2      VAL  12   1.231  -5.520  -5.256
   96   2HG2  VAL  12          2HG2      VAL  12   1.615  -3.931  -4.595
   97   3HG2  VAL  12          3HG2      VAL  12  -0.046  -4.520  -4.562
   98    H    VAL  13           H        VAL  13   3.467  -4.019  -4.620
   99    HA   VAL  13           HA       VAL  13   5.363  -2.732  -2.728
  100    HB   VAL  13           HB       VAL  13   4.785  -2.116  -5.638
  101   1HG1  VAL  13          1HG1      VAL  13   6.327  -0.522  -5.213
  102   2HG1  VAL  13          2HG1      VAL  13   7.500  -1.831  -5.063
  103   3HG1  VAL  13          3HG1      VAL  13   6.693  -1.201  -3.627
  104   1HG2  VAL  13          1HG2      VAL  13   6.453  -3.746  -6.250
  105   2HG2  VAL  13          2HG2      VAL  13   5.297  -4.564  -5.201
  106   3HG2  VAL  13          3HG2      VAL  13   6.857  -4.050  -4.561
  107    H    LEU  14           H        LEU  14   5.078  -0.579  -2.022
  108    HA   LEU  14           HA       LEU  14   2.653   0.879  -2.977
  109   1HB   LEU  14          2HB       LEU  14   3.318  -0.263  -0.320
  110   2HB   LEU  14          1HB       LEU  14   2.643   1.364  -0.303
  111    HG   LEU  14           HG       LEU  14   1.332  -0.679  -2.044
  112   1HD1  LEU  14          1HD1      LEU  14   1.292  -2.056  -0.188
  113   2HD1  LEU  14          2HD1      LEU  14  -0.131  -1.072   0.139
  114   3HD1  LEU  14          3HD1      LEU  14   1.393  -0.710   0.945
  115   1HD2  LEU  14          1HD2      LEU  14   0.177   1.294  -2.244
  116   2HD2  LEU  14          2HD2      LEU  14   0.694   1.871  -0.662
  117   3HD2  LEU  14          3HD2      LEU  14  -0.622   0.704  -0.786
  118    H    LYS  15           H        LYS  15   3.639   2.728  -3.828
  119    HA   LYS  15           HA       LYS  15   5.988   3.879  -2.509
  120   1HB   LYS  15          2HB       LYS  15   6.224   3.750  -4.829
  121   2HB   LYS  15          1HB       LYS  15   4.520   4.112  -5.112
  122   1HG   LYS  15          2HG       LYS  15   4.859   6.338  -5.086
  123   2HG   LYS  15          1HG       LYS  15   5.992   6.253  -3.741
  124   1HD   LYS  15          2HD       LYS  15   6.977   6.994  -5.987
  125   2HD   LYS  15          1HD       LYS  15   7.810   5.671  -5.172
  126   1HE   LYS  15          2HE       LYS  15   5.687   4.604  -6.826
  127   2HE   LYS  15          1HE       LYS  15   6.761   5.630  -7.796
  128   1HZ   LYS  15          1HZ       LYS  15   7.799   3.670  -5.835
  129   2HZ   LYS  15          2HZ       LYS  15   8.643   4.454  -7.082
  130   3HZ   LYS  15          3HZ       LYS  15   7.506   3.248  -7.451
  131    H    LEU  16           H        LEU  16   5.984   6.143  -1.827
  132    HA   LEU  16           HA       LEU  16   3.240   7.303  -1.449
  133   1HB   LEU  16          2HB       LEU  16   4.560   6.127   0.526
  134   2HB   LEU  16          1HB       LEU  16   5.424   7.662   0.571
  135    HG   LEU  16           HG       LEU  16   3.667   8.071   2.047
  136   1HD1  LEU  16          1HD1      LEU  16   2.280   9.677   0.999
  137   2HD1  LEU  16          2HD1      LEU  16   2.279   8.802  -0.533
  138   3HD1  LEU  16          3HD1      LEU  16   3.733   9.646   0.004
  139   1HD2  LEU  16          1HD2      LEU  16   2.236   6.281   2.071
  140   2HD2  LEU  16          2HD2      LEU  16   2.252   6.114   0.315
  141   3HD2  LEU  16          3HD2      LEU  16   1.245   7.347   1.075
  142    H    TRP  17           H        TRP  17   3.286   9.085  -2.798
  143    HA   TRP  17           HA       TRP  17   5.742  10.646  -3.201
  144   1HB   TRP  17          2HB       TRP  17   2.905  11.256  -4.073
  145   2HB   TRP  17          1HB       TRP  17   4.401  11.770  -4.841
  146    HD1  TRP  17           HD       TRP  17   2.021   8.852  -4.595
  147    HE1  TRP  17           1HE      TRP  17   2.723   7.053  -6.260
  148    HE3  TRP  17           3HE      TRP  17   6.487  10.684  -6.130
  149    HZ2  TRP  17           2HZ      TRP  17   4.843   6.435  -8.035
  150    HZ3  TRP  17           3HZ      TRP  17   7.846   9.489  -7.821
  151    HH2  TRP  17           HH       TRP  17   7.019   7.354  -8.779
  152    H    LYS  18           H        LYS  18   5.525  13.114  -2.903
  153    HA   LYS  18           HA       LYS  18   5.427  13.963  -0.321
  154   1HB   LYS  18          2HB       LYS  18   5.443  15.104  -2.863
  155   2HB   LYS  18          1HB       LYS  18   4.081  15.883  -2.055
  156   1HG   LYS  18          2HG       LYS  18   5.419  16.964  -0.555
  157   2HG   LYS  18          1HG       LYS  18   6.527  15.598  -0.413
  158   1HD   LYS  18          2HD       LYS  18   7.955  16.829  -1.666
  159   2HD   LYS  18          1HD       LYS  18   6.906  16.428  -3.026
  160   1HE   LYS  18          2HE       LYS  18   6.263  18.591  -3.220
  161   2HE   LYS  18          1HE       LYS  18   5.784  18.637  -1.511
  162   1HZ   LYS  18          1HZ       LYS  18   8.092  18.921  -0.890
  163   2HZ   LYS  18          2HZ       LYS  18   7.636  20.153  -1.967
  164   3HZ   LYS  18          3HZ       LYS  18   8.575  18.847  -2.514
  165    H    THR  19           H        THR  19   2.483  14.003  -2.403
  166    HA   THR  19           HA       THR  19   0.881  13.896   0.135
  167    HB   THR  19           HB       THR  19   0.913  16.179  -0.721
  168    HG1  THR  19           1HG      THR  19  -1.331  16.379  -1.196
  169   1HG2  THR  19          1HG2      THR  19   0.897  14.791  -3.258
  170   2HG2  THR  19          2HG2      THR  19   1.276  16.481  -2.920
  171   3HG2  THR  19          3HG2      THR  19  -0.395  15.992  -3.209
  172    H    GLY  20           H        GLY  20   1.705  12.044  -2.274
  173   1HA   GLY  20          2HA       GLY  20  -0.912  10.747  -2.442
  174   2HA   GLY  20          1HA       GLY  20  -0.235  11.253  -3.981
  175    H    PHE  21           H        PHE  21  -0.709   8.518  -3.102
  176    HA   PHE  21           HA       PHE  21   2.134   7.562  -3.171
  177   1HB   PHE  21          2HB       PHE  21   1.163   5.577  -1.847
  178   2HB   PHE  21          1HB       PHE  21   1.347   7.101  -0.989
  179    HD1  PHE  21           1HD      PHE  21  -0.443   7.703   0.360
  180    HD2  PHE  21           2HD      PHE  21  -1.219   5.488  -3.222
  181    HE1  PHE  21           1HE      PHE  21  -2.845   7.686   0.892
  182    HE2  PHE  21           2HE      PHE  21  -3.623   5.477  -2.696
  183    HZ   PHE  21           HZ       PHE  21  -4.419   6.575  -0.642
  184    H    SER  22           H        SER  22   2.518   5.676  -4.455
  185    HA   SER  22           HA       SER  22   0.367   5.120  -6.461
  186   1HB   SER  22          2HB       SER  22   2.368   5.916  -7.485
  187   2HB   SER  22          1HB       SER  22   3.380   4.926  -6.441
  188    HG   SER  22           HG       SER  22   1.750   4.168  -8.612
  189    H    LEU  23           H        LEU  23   0.707   2.796  -7.403
  190    HA   LEU  23           HA       LEU  23   1.692   0.661  -5.794
  191   1HB   LEU  23          2HB       LEU  23  -0.291   1.862  -4.493
  192   2HB   LEU  23          1HB       LEU  23  -1.251   0.802  -5.515
  193    HG   LEU  23           HG       LEU  23   0.955  -0.042  -3.633
  194   1HD1  LEU  23          1HD1      LEU  23  -1.830  -1.110  -3.550
  195   2HD1  LEU  23          2HD1      LEU  23  -1.569   0.530  -2.956
  196   3HD1  LEU  23          3HD1      LEU  23  -0.699  -0.820  -2.228
  197   1HD2  LEU  23          1HD2      LEU  23  -0.606  -1.530  -5.749
  198   2HD2  LEU  23          2HD2      LEU  23   0.095  -2.371  -4.366
  199   3HD2  LEU  23          3HD2      LEU  23   1.140  -1.501  -5.491
  200    H    ASP  24           H        ASP  24   1.827  -1.040  -7.203
  201    HA   ASP  24           HA       ASP  24   1.269  -2.496  -8.984
  202   1HB   ASP  24          2HB       ASP  24  -0.978  -2.117  -7.640
  203   2HB   ASP  24          1HB       ASP  24  -1.441  -1.206  -9.078
  204    H    ASN  25           H        ASN  25  -0.862  -1.520 -10.975
  205    HA   ASN  25           HA       ASN  25   0.943   0.341 -12.471
  206   1HB   ASN  25          2HB       ASN  25  -0.361  -2.116 -13.064
  207   2HB   ASN  25          1HB       ASN  25  -1.067  -0.869 -14.087
  208   1HD2  ASN  25          1HD2      ASN  25   0.023  -0.785 -16.053
  209   2HD2  ASN  25          2HD2      ASN  25   1.700  -0.966 -16.246
  210    H    GLY  26           H        GLY  26  -2.138   0.063 -10.964
  211   1HA   GLY  26          2HA       GLY  26  -3.792   1.718 -12.510
  212   2HA   GLY  26          1HA       GLY  26  -3.875   1.632 -10.751
  213    H    ASP  27           H        ASP  27  -4.337   4.044 -12.120
  214    HA   ASP  27           HA       ASP  27  -2.095   5.752 -12.427
  215   1HB   ASP  27          2HB       ASP  27  -4.851   6.482 -11.403
  216   2HB   ASP  27          1HB       ASP  27  -3.762   7.494 -12.351
  217    H    LEU  28           H        LEU  28  -1.744   7.704 -10.872
  218    HA   LEU  28           HA       LEU  28  -0.839   6.735  -8.327
  219   1HB   LEU  28          2HB       LEU  28   0.345   8.526  -9.188
  220   2HB   LEU  28          1HB       LEU  28  -1.112   9.327  -9.746
  221    HG   LEU  28           HG       LEU  28  -1.706   9.636  -7.262
  222   1HD1  LEU  28          1HD1      LEU  28   1.269   9.220  -6.913
  223   2HD1  LEU  28          2HD1      LEU  28   0.098   7.942  -6.586
  224   3HD1  LEU  28          3HD1      LEU  28   0.048   9.442  -5.659
  225   1HD2  LEU  28          1HD2      LEU  28   0.721  11.016  -8.450
  226   2HD2  LEU  28          2HD2      LEU  28  -0.209  11.623  -7.080
  227   3HD2  LEU  28          3HD2      LEU  28  -0.962  11.494  -8.670
  228    H    ARG  29           H        ARG  29  -1.649   7.394  -6.198
  229    HA   ARG  29           HA       ARG  29  -4.604   7.877  -6.202
  230   1HB   ARG  29          2HB       ARG  29  -2.667   6.309  -4.545
  231   2HB   ARG  29          1HB       ARG  29  -4.134   6.908  -3.773
  232   1HG   ARG  29          2HG       ARG  29  -3.964   5.136  -6.223
  233   2HG   ARG  29          1HG       ARG  29  -4.603   4.701  -4.640
  234   1HD   ARG  29          2HD       ARG  29  -6.631   5.299  -5.497
  235   2HD   ARG  29          1HD       ARG  29  -6.067   6.971  -5.296
  236    HE   ARG  29           HE       ARG  29  -5.477   7.022  -7.627
  237   1HH1  ARG  29          1HH2      ARG  29  -8.095   5.661  -7.977
  238   2HH1  ARG  29          2HH2      ARG  29  -7.677   4.279  -8.935
  239   1HH2  ARG  29          1HH1      ARG  29  -4.285   4.501  -8.252
  240   2HH2  ARG  29          2HH1      ARG  29  -5.519   3.624  -9.091
  241    H    SER  30           H        SER  30  -5.399   9.630  -5.037
  242    HA   SER  30           HA       SER  30  -3.429  11.609  -4.067
  243   1HB   SER  30          2HB       SER  30  -5.981  11.589  -5.300
  244   2HB   SER  30          1HB       SER  30  -6.205  12.319  -3.713
  245    HG   SER  30           HG       SER  30  -5.205  14.012  -4.433
  246    H    TYR  31           H        TYR  31  -3.010  11.936  -1.921
  247    HA   TYR  31           HA       TYR  31  -3.627  10.241   0.171
  248   1HB   TYR  31          2HB       TYR  31  -2.685  12.963  -0.224
  249   2HB   TYR  31          1HB       TYR  31  -3.571  12.809   1.293
  250    HD1  TYR  31           1HD      TYR  31  -1.385  10.400  -0.588
  251    HD2  TYR  31           2HD      TYR  31  -2.032  12.613   3.038
  252    HE1  TYR  31           1HE      TYR  31   0.572   9.273   0.448
  253    HE2  TYR  31           2HE      TYR  31  -0.080  11.489   4.072
  254    HH   TYR  31           HH       TYR  31   1.139   9.170   3.652
  255    H    GLN  32           H        GLN  32  -5.788  12.585  -1.281
  256    HA   GLN  32           HA       GLN  32  -7.639  12.646   0.964
  257   1HB   GLN  32          2HB       GLN  32  -7.525  13.727  -1.839
  258   2HB   GLN  32          1HB       GLN  32  -8.999  13.874  -0.881
  259   1HG   GLN  32          2HG       GLN  32  -7.278  14.753   0.959
  260   2HG   GLN  32          1HG       GLN  32  -6.337  15.168  -0.474
  261   1HE2  GLN  32          1HE2      GLN  32  -7.693  16.395  -2.231
  262   2HE2  GLN  32          2HE2      GLN  32  -8.800  17.547  -1.659
  263    H    ASP  33           H        ASP  33  -7.543  11.111  -2.233
  264    HA   ASP  33           HA       ASP  33 -10.025  10.082  -2.662
  265   1HB   ASP  33          2HB       ASP  33  -8.490   9.305  -4.176
  266   2HB   ASP  33          1HB       ASP  33  -7.242   9.091  -2.952
  267    HA   PRO  34           HA       PRO  34 -11.333   7.615   0.738
  268   1HB   PRO  34          2HB       PRO  34 -12.667   5.594  -0.550
  269   2HB   PRO  34          1HB       PRO  34 -13.310   7.243  -0.408
  270   1HG   PRO  34          2HG       PRO  34 -11.911   5.952  -2.704
  271   2HG   PRO  34          1HG       PRO  34 -13.322   7.024  -2.703
  272   1HD   PRO  34          2HD       PRO  34 -10.842   7.898  -3.326
  273   2HD   PRO  34          1HD       PRO  34 -12.042   8.932  -2.521
  274    H    SER  35           H        SER  35 -10.001   5.664  -1.967
  275    HA   SER  35           HA       SER  35  -9.288   3.318  -0.660
  276   1HB   SER  35          2HB       SER  35  -8.521   4.816  -2.979
  277   2HB   SER  35          1HB       SER  35  -7.053   4.217  -2.211
  278    HG   SER  35           HG       SER  35  -8.017   2.722  -3.699
  279    H    ASN  36           H        ASN  36  -8.025   6.534  -0.194
  280    HA   ASN  36           HA       ASN  36  -5.559   5.976   1.099
  281   1HB   ASN  36          2HB       ASN  36  -7.591   8.194   1.484
  282   2HB   ASN  36          1HB       ASN  36  -5.909   8.266   2.004
  283   1HD2  ASN  36          1HD2      ASN  36  -4.284   8.617   0.391
  284   2HD2  ASN  36          2HD2      ASN  36  -4.655   8.947  -1.231
  285    H    ALA  37           H        ALA  37  -8.733   5.227   2.078
  286    HA   ALA  37           HA       ALA  37  -8.588   5.615   4.898
  287   1HB   ALA  37          1HB       ALA  37 -10.592   4.391   4.867
  288   2HB   ALA  37          2HB       ALA  37 -10.033   3.334   3.569
  289   3HB   ALA  37          3HB       ALA  37 -10.518   4.995   3.208
  290    H    GLN  38           H        GLN  38  -8.284   2.560   3.068
  291    HA   GLN  38           HA       GLN  38  -6.788   1.318   5.286
  292   1HB   GLN  38          2HB       GLN  38  -8.527   0.364   3.463
  293   2HB   GLN  38          1HB       GLN  38  -7.030   0.075   2.576
  294   1HG   GLN  38          2HG       GLN  38  -7.247  -1.918   3.795
  295   2HG   GLN  38          1HG       GLN  38  -6.207  -0.961   4.851
  296   1HE2  GLN  38          1HE2      GLN  38  -8.727   0.802   5.421
  297   2HE2  GLN  38          2HE2      GLN  38  -9.569  -0.098   6.587
  298    H    PHE  39           H        PHE  39  -6.194   2.725   2.120
  299    HA   PHE  39           HA       PHE  39  -3.509   1.818   1.724
  300   1HB   PHE  39          2HB       PHE  39  -5.228   3.000   0.165
  301   2HB   PHE  39          1HB       PHE  39  -4.608   4.492   0.868
  302    HD1  PHE  39           1HD      PHE  39  -4.366   2.897  -2.027
  303    HD2  PHE  39           2HD      PHE  39  -1.749   3.920   1.227
  304    HE1  PHE  39           1HE      PHE  39  -2.425   2.821  -3.562
  305    HE2  PHE  39           2HE      PHE  39   0.190   3.839  -0.312
  306    HZ   PHE  39           HZ       PHE  39  -0.146   3.288  -2.706
  307    H    LEU  40           H        LEU  40  -4.644   5.012   2.829
  308    HA   LEU  40           HA       LEU  40  -2.079   5.869   3.722
  309   1HB   LEU  40          2HB       LEU  40  -4.488   6.942   3.119
  310   2HB   LEU  40          1HB       LEU  40  -4.512   7.017   4.870
  311    HG   LEU  40           HG       LEU  40  -2.930   8.653   4.954
  312   1HD1  LEU  40          1HD1      LEU  40  -1.067   7.280   4.288
  313   2HD1  LEU  40          2HD1      LEU  40  -1.006   8.740   3.301
  314   3HD1  LEU  40          3HD1      LEU  40  -1.625   7.237   2.615
  315   1HD2  LEU  40          1HD2      LEU  40  -2.782   9.764   2.506
  316   2HD2  LEU  40          2HD2      LEU  40  -4.222   9.894   3.518
  317   3HD2  LEU  40          3HD2      LEU  40  -4.147   8.676   2.241
  318    H    GLU  41           H        GLU  41  -4.958   4.939   5.610
  319    HA   GLU  41           HA       GLU  41  -3.601   5.074   8.133
  320   1HB   GLU  41          2HB       GLU  41  -6.090   3.507   7.470
  321   2HB   GLU  41          1HB       GLU  41  -5.689   4.310   8.989
  322   1HG   GLU  41          2HG       GLU  41  -5.627   6.485   7.588
  323   2HG   GLU  41          1HG       GLU  41  -6.491   5.554   6.364
  324    H    SER  42           H        SER  42  -4.823   2.235   6.351
  325    HA   SER  42           HA       SER  42  -3.667   0.305   8.069
  326   1HB   SER  42          2HB       SER  42  -5.263   0.397   5.800
  327   2HB   SER  42          1HB       SER  42  -3.842  -0.503   5.276
  328    HG   SER  42           HG       SER  42  -5.601  -1.033   7.430
  329    H    ILE  43           H        ILE  43  -2.272   1.943   5.232
  330    HA   ILE  43           HA       ILE  43   0.046   0.312   5.004
  331    HB   ILE  43           HB       ILE  43  -0.789   3.041   4.242
  332   1HG1  ILE  43          2HG1      ILE  43  -0.112   0.441   2.908
  333   2HG1  ILE  43          1HG1      ILE  43  -1.572   1.413   2.748
  334   1HG2  ILE  43          1HG2      ILE  43   1.386   3.380   3.110
  335   2HG2  ILE  43          2HG2      ILE  43   1.992   1.919   3.892
  336   3HG2  ILE  43          3HG2      ILE  43   1.553   3.324   4.863
  337   1HD1  ILE  43          1HD1      ILE  43   1.108   1.800   1.466
  338   2HD1  ILE  43          2HD1      ILE  43   0.084   3.206   1.761
  339   3HD1  ILE  43          3HD1      ILE  43  -0.498   1.888   0.745
  340    H    ARG  44           H        ARG  44  -0.506   3.377   6.724
  341    HA   ARG  44           HA       ARG  44   2.020   3.787   7.863
  342   1HB   ARG  44          2HB       ARG  44  -0.825   4.295   8.624
  343   2HB   ARG  44          1HB       ARG  44   0.393   4.530   9.879
  344   1HG   ARG  44          2HG       ARG  44   1.556   5.759   7.704
  345   2HG   ARG  44          1HG       ARG  44  -0.152   6.138   7.480
  346   1HD   ARG  44          2HD       ARG  44   0.294   6.513  10.229
  347   2HD   ARG  44          1HD       ARG  44   1.708   7.230   9.430
  348    HE   ARG  44           HE       ARG  44   0.240   8.927   8.714
  349   1HH1  ARG  44          1HH1      ARG  44  -1.969   7.579  10.425
  350   2HH1  ARG  44          2HH1      ARG  44  -3.233   7.453   9.247
  351   1HH2  ARG  44          1HH2      ARG  44  -1.138   8.047   6.548
  352   2HH2  ARG  44          2HH2      ARG  44  -2.762   7.717   7.053
  353    H    ARG  45           H        ARG  45  -0.601   1.660   8.940
  354    HA   ARG  45           HA       ARG  45   0.884   0.605  11.202
  355   1HB   ARG  45          2HB       ARG  45  -1.762   0.659  10.200
  356   2HB   ARG  45          1HB       ARG  45  -1.302  -1.042  10.289
  357   1HG   ARG  45          2HG       ARG  45  -0.351   0.279  12.648
  358   2HG   ARG  45          1HG       ARG  45  -2.056   0.675  12.431
  359   1HD   ARG  45          2HD       ARG  45  -1.533  -1.491  13.740
  360   2HD   ARG  45          1HD       ARG  45  -2.686  -1.644  12.399
  361    HE   ARG  45           HE       ARG  45  -0.014  -1.989  11.412
  362   1HH1  ARG  45          1HH2      ARG  45  -1.374  -3.550  14.029
  363   2HH1  ARG  45          2HH2      ARG  45  -1.342  -5.137  13.338
  364   1HH2  ARG  45          1HH1      ARG  45  -0.434  -4.031  10.180
  365   2HH2  ARG  45          2HH1      ARG  45  -0.809  -5.409  11.158
  366    H    GLY  46           H        GLY  46   0.396  -0.262   7.836
  367   1HA   GLY  46          2HA       GLY  46   2.265  -1.601   6.835
  368   2HA   GLY  46          1HA       GLY  46   2.107  -2.638   8.240
  369    H    GLU  47           H        GLU  47  -0.031  -1.315   5.717
  370    HA   GLU  47           HA       GLU  47  -0.979  -4.062   5.126
  371   1HB   GLU  47          2HB       GLU  47  -2.337  -3.146   7.006
  372   2HB   GLU  47          1HB       GLU  47  -2.813  -1.803   5.966
  373   1HG   GLU  47          2HG       GLU  47  -3.226  -4.245   4.530
  374   2HG   GLU  47          1HG       GLU  47  -3.981  -4.392   6.115
  375    H    VAL  48           H        VAL  48  -1.976  -4.222   3.059
  376    HA   VAL  48           HA       VAL  48  -1.310  -2.080   1.188
  377    HB   VAL  48           HB       VAL  48  -2.223  -4.948   1.043
  378   1HG1  VAL  48          1HG1      VAL  48  -3.210  -3.353  -0.796
  379   2HG1  VAL  48          2HG1      VAL  48  -2.448  -4.866  -1.286
  380   3HG1  VAL  48          3HG1      VAL  48  -1.560  -3.349  -1.418
  381   1HG2  VAL  48          1HG2      VAL  48   0.245  -3.511   0.024
  382   2HG2  VAL  48          2HG2      VAL  48  -0.035  -5.250  -0.011
  383   3HG2  VAL  48          3HG2      VAL  48   0.158  -4.420   1.532
  384    HA   PRO  49           HA       PRO  49  -5.423  -0.549   0.877
  385   1HB   PRO  49          2HB       PRO  49  -5.211   0.685  -1.543
  386   2HB   PRO  49          1HB       PRO  49  -4.438   1.301  -0.069
  387   1HG   PRO  49          2HG       PRO  49  -3.252  -0.162  -2.352
  388   2HG   PRO  49          1HG       PRO  49  -2.546   1.088  -1.322
  389   1HD   PRO  49          2HD       PRO  49  -2.051  -1.631  -1.105
  390   2HD   PRO  49          1HD       PRO  49  -1.755  -0.429   0.163
  391    H    ALA  50           H        ALA  50  -4.450  -1.578  -2.411
  392    HA   ALA  50           HA       ALA  50  -7.160  -2.773  -2.761
  393   1HB   ALA  50          1HB       ALA  50  -6.208  -2.814  -5.201
  394   2HB   ALA  50          2HB       ALA  50  -4.953  -1.767  -4.540
  395   3HB   ALA  50          3HB       ALA  50  -6.644  -1.265  -4.480
  396    H    GLU  51           H        GLU  51  -3.868  -3.653  -3.885
  397    HA   GLU  51           HA       GLU  51  -4.238  -6.295  -4.572
  398   1HB   GLU  51          2HB       GLU  51  -2.111  -4.559  -3.915
  399   2HB   GLU  51          1HB       GLU  51  -1.844  -6.021  -2.963
  400   1HG   GLU  51          2HG       GLU  51  -2.631  -6.357  -5.825
  401   2HG   GLU  51          1HG       GLU  51  -0.984  -5.827  -5.484
  402    H    LEU  52           H        LEU  52  -4.373  -4.958  -1.335
  403    HA   LEU  52           HA       LEU  52  -4.098  -7.506   0.016
  404   1HB   LEU  52          2HB       LEU  52  -3.898  -6.083   1.788
  405   2HB   LEU  52          1HB       LEU  52  -3.897  -4.805   0.580
  406    HG   LEU  52           HG       LEU  52  -6.498  -5.873   1.556
  407   1HD1  LEU  52          1HD1      LEU  52  -4.503  -4.270   3.075
  408   2HD1  LEU  52          2HD1      LEU  52  -5.733  -5.383   3.679
  409   3HD1  LEU  52          3HD1      LEU  52  -6.187  -3.752   3.177
  410   1HD2  LEU  52          1HD2      LEU  52  -5.615  -3.823  -0.163
  411   2HD2  LEU  52          2HD2      LEU  52  -6.265  -3.023   1.269
  412   3HD2  LEU  52          3HD2      LEU  52  -7.270  -4.144   0.354
  413    H    ARG  53           H        ARG  53  -6.757  -5.336  -0.911
  414    HA   ARG  53           HA       ARG  53  -8.921  -6.708   0.254
  415   1HB   ARG  53          2HB       ARG  53  -8.604  -4.562  -1.365
  416   2HB   ARG  53          1HB       ARG  53  -9.166  -5.732  -2.561
  417   1HG   ARG  53          2HG       ARG  53 -11.169  -6.178  -1.267
  418   2HG   ARG  53          1HG       ARG  53 -10.588  -5.164   0.055
  419   1HD   ARG  53          2HD       ARG  53 -11.928  -3.607  -1.021
  420   2HD   ARG  53          1HD       ARG  53 -10.442  -3.366  -1.960
  421    HE   ARG  53           HE       ARG  53 -12.725  -5.092  -2.820
  422   1HH1  ARG  53          1HH1      ARG  53 -11.142  -2.416  -3.805
  423   2HH1  ARG  53          2HH1      ARG  53 -10.607  -3.024  -5.336
  424   1HH2  ARG  53          1HH2      ARG  53 -11.460  -6.311  -4.628
  425   2HH2  ARG  53          2HH2      ARG  53 -10.787  -5.229  -5.802
  426    H    ARG  54           H        ARG  54  -6.895  -7.445  -2.492
  427    HA   ARG  54           HA       ARG  54  -8.487  -9.557  -3.614
  428   1HB   ARG  54          2HB       ARG  54  -5.701  -8.504  -3.798
  429   2HB   ARG  54          1HB       ARG  54  -6.018 -10.107  -4.463
  430   1HG   ARG  54          2HG       ARG  54  -8.127  -8.795  -5.502
  431   2HG   ARG  54          1HG       ARG  54  -6.993  -7.449  -5.380
  432   1HD   ARG  54          2HD       ARG  54  -5.640  -8.284  -7.029
  433   2HD   ARG  54          1HD       ARG  54  -5.855  -9.959  -6.486
  434    HE   ARG  54           HE       ARG  54  -7.475 -10.068  -8.199
  435   1HH1  ARG  54          1HH1      ARG  54  -6.921  -6.805  -7.833
  436   2HH1  ARG  54          2HH1      ARG  54  -8.542  -6.299  -8.175
  437   1HH2  ARG  54          1HH2      ARG  54  -9.838  -9.515  -8.122
  438   2HH2  ARG  54          2HH2      ARG  54 -10.194  -7.834  -8.337
  439    H    LEU  55           H        LEU  55  -5.447  -9.718  -1.732
  440    HA   LEU  55           HA       LEU  55  -6.143 -12.481  -0.971
  441   1HB   LEU  55          2HB       LEU  55  -3.676 -10.823  -1.195
  442   2HB   LEU  55          1HB       LEU  55  -3.654 -12.206  -0.100
  443    HG   LEU  55           HG       LEU  55  -4.407 -12.299  -3.036
  444   1HD1  LEU  55          1HD1      LEU  55  -1.936 -11.949  -2.346
  445   2HD1  LEU  55          2HD1      LEU  55  -2.298 -13.288  -3.435
  446   3HD1  LEU  55          3HD1      LEU  55  -2.022 -13.595  -1.720
  447   1HD2  LEU  55          1HD2      LEU  55  -4.115 -14.839  -2.473
  448   2HD2  LEU  55          2HD2      LEU  55  -5.621 -14.038  -2.024
  449   3HD2  LEU  55          3HD2      LEU  55  -4.379 -14.323  -0.806
  450    H    ALA  56           H        ALA  56  -5.229  -9.387   0.510
  451    HA   ALA  56           HA       ALA  56  -4.968  -9.928   3.184
  452   1HB   ALA  56          1HB       ALA  56  -5.746  -7.716   3.550
  453   2HB   ALA  56          2HB       ALA  56  -6.885  -7.812   2.208
  454   3HB   ALA  56          3HB       ALA  56  -5.155  -7.703   1.890
  455    H    HIS  57           H        HIS  57  -8.206  -9.031   2.014
  456    HA   HIS  57           HA       HIS  57 -10.323  -9.961   2.519
  457   1HB   HIS  57          2HB       HIS  57 -10.128 -12.204   2.368
  458   2HB   HIS  57          1HB       HIS  57  -8.397 -12.046   2.628
  459    HD1  HIS  57           1HD      HIS  57  -7.747 -11.808   5.329
  460    HD2  HIS  57           2HD      HIS  57 -11.368 -13.637   4.371
  461    HE1  HIS  57           1HE      HIS  57  -8.447 -13.124   7.375
  462    H    GLY  58           H        GLY  58  -9.094  -8.045   4.224
  463   1HA   GLY  58          2HA       GLY  58 -10.755  -7.993   6.452
  464   2HA   GLY  58          1HA       GLY  58  -9.300  -8.831   6.985
  465    H    GLY  59           H        GLY  59  -7.784  -7.137   4.911
  466   1HA   GLY  59          2HA       GLY  59  -7.114  -4.811   4.744
  467   2HA   GLY  59          1HA       GLY  59  -7.866  -4.538   6.307
  468    H    GLN  60           H        GLN  60  -5.536  -6.964   5.228
  469    HA   GLN  60           HA       GLN  60  -3.451  -5.858   6.965
  470   1HB   GLN  60          2HB       GLN  60  -4.130  -7.206   8.664
  471   2HB   GLN  60          1HB       GLN  60  -5.215  -8.102   7.603
  472   1HG   GLN  60          2HG       GLN  60  -3.440  -9.554   8.541
  473   2HG   GLN  60          1HG       GLN  60  -3.338  -9.449   6.785
  474   1HE2  GLN  60          1HE2      GLN  60  -2.309  -6.800   8.914
  475   2HE2  GLN  60          2HE2      GLN  60  -0.653  -6.936   8.569
  476    H    VAL  61           H        VAL  61  -1.863  -5.758   5.352
  477    HA   VAL  61           HA       VAL  61  -1.044  -8.298   4.128
  478    HB   VAL  61           HB       VAL  61  -2.193  -5.917   2.713
  479   1HG1  VAL  61          1HG1      VAL  61   0.038  -6.310   1.719
  480   2HG1  VAL  61          2HG1      VAL  61  -1.248  -6.767   0.603
  481   3HG1  VAL  61          3HG1      VAL  61  -0.368  -8.010   1.492
  482   1HG2  VAL  61          1HG2      VAL  61  -3.244  -7.858   1.418
  483   2HG2  VAL  61          2HG2      VAL  61  -3.739  -7.690   3.100
  484   3HG2  VAL  61          3HG2      VAL  61  -2.558  -8.917   2.647
  485    H    ASN  62           H        ASN  62   1.140  -8.265   3.343
  486    HA   ASN  62           HA       ASN  62   2.837  -6.202   4.586
  487   1HB   ASN  62          2HB       ASN  62   3.017  -8.920   3.530
  488   2HB   ASN  62          1HB       ASN  62   4.379  -7.926   3.009
  489   1HD2  ASN  62          1HD2      ASN  62   5.985  -7.444   4.562
  490   2HD2  ASN  62          2HD2      ASN  62   5.874  -7.869   6.201
  491    H    LEU  63           H        LEU  63   3.493  -4.385   3.461
  492    HA   LEU  63           HA       LEU  63   3.397  -4.472   0.504
  493   1HB   LEU  63          2HB       LEU  63   2.876  -1.988   0.853
  494   2HB   LEU  63          1HB       LEU  63   1.611  -3.126   1.302
  495    HG   LEU  63           HG       LEU  63   3.557  -2.544   3.441
  496   1HD1  LEU  63          1HD1      LEU  63   1.534  -0.410   2.767
  497   2HD1  LEU  63          2HD1      LEU  63   3.185  -0.331   2.153
  498   3HD1  LEU  63          3HD1      LEU  63   2.889  -0.322   3.892
  499   1HD2  LEU  63          1HD2      LEU  63   1.801  -3.318   4.621
  500   2HD2  LEU  63          2HD2      LEU  63   0.899  -3.490   3.114
  501   3HD2  LEU  63          3HD2      LEU  63   0.799  -1.991   4.037
  502    H    ASP  64           H        ASP  64   4.974  -3.105  -0.581
  503    HA   ASP  64           HA       ASP  64   7.448  -2.709   0.984
  504   1HB   ASP  64          2HB       ASP  64   7.101  -4.071  -1.258
  505   2HB   ASP  64          1HB       ASP  64   7.223  -2.474  -1.997
  506    H    MET  65           H        MET  65   7.580  -0.614   1.768
  507    HA   MET  65           HA       MET  65   6.136   1.593   0.537
  508   1HB   MET  65          2HB       MET  65   7.017   1.019   3.009
  509   2HB   MET  65          1HB       MET  65   8.373   2.010   2.470
  510   1HG   MET  65          2HG       MET  65   7.159   3.877   2.782
  511   2HG   MET  65          1HG       MET  65   5.929   3.282   1.667
  512   1HE   MET  65          1HE       MET  65   3.305   2.743   2.731
  513   2HE   MET  65          2HE       MET  65   4.201   4.232   2.438
  514   3HE   MET  65          3HE       MET  65   3.322   4.024   3.951
  515    H    GLU  66           H        GLU  66   6.892   2.201  -1.492
  516    HA   GLU  66           HA       GLU  66   9.710   2.210  -2.171
  517   1HB   GLU  66          2HB       GLU  66   7.091   2.635  -3.416
  518   2HB   GLU  66          1HB       GLU  66   8.346   3.689  -4.068
  519   1HG   GLU  66          2HG       GLU  66   8.138   1.457  -5.243
  520   2HG   GLU  66          1HG       GLU  66   9.749   1.812  -4.620
  521    H    ASP  67           H        ASP  67  11.088   3.848  -1.625
  522    HA   ASP  67           HA       ASP  67  10.080   6.363  -0.554
  523   1HB   ASP  67          2HB       ASP  67  12.557   6.731  -0.235
  524   2HB   ASP  67          1HB       ASP  67  11.953   5.244   0.496
  525    H    HIS  68           H        HIS  68   9.253   7.645  -2.246
  526    HA   HIS  68           HA       HIS  68  11.219   8.399  -4.377
  527   1HB   HIS  68          2HB       HIS  68   8.326   7.561  -4.537
  528   2HB   HIS  68          1HB       HIS  68   9.037   8.572  -5.795
  529    HD1  HIS  68           1HD      HIS  68  10.265   7.358  -7.601
  530    HD2  HIS  68           2HD      HIS  68   9.922   5.044  -4.151
  531    HE1  HIS  68           1HE      HIS  68  11.231   5.086  -8.164
  532    H    ARG  69           H        ARG  69  10.911   9.896  -2.030
  533    HA   ARG  69           HA       ARG  69   8.936  11.987  -2.398
  534   1HB   ARG  69          2HB       ARG  69  11.328  12.291  -0.639
  535   2HB   ARG  69          1HB       ARG  69   9.646  12.686  -0.303
  536   1HG   ARG  69          2HG       ARG  69  10.996   9.992  -0.230
  537   2HG   ARG  69          1HG       ARG  69  10.066  10.787   1.038
  538   1HD   ARG  69          2HD       ARG  69   9.107   9.204  -1.307
  539   2HD   ARG  69          1HD       ARG  69   8.417   9.344   0.318
  540    HE   ARG  69           HE       ARG  69   7.659  10.963  -1.928
  541   1HH1  ARG  69          1HH1      ARG  69   6.959  10.502   1.247
  542   2HH1  ARG  69          2HH1      ARG  69   6.641  12.158   1.640
  543   1HH2  ARG  69          1HH2      ARG  69   7.896  13.387  -1.350
  544   2HH2  ARG  69          2HH2      ARG  69   7.177  13.792   0.172
  545    H    ASP  70           H        ASP  70  12.441  11.693  -2.879
  546    HA   ASP  70           HA       ASP  70  13.014  14.365  -3.626
  547   1HB   ASP  70          2HB       ASP  70  14.083  11.632  -4.160
  548   2HB   ASP  70          1HB       ASP  70  14.627  12.908  -5.250
  549    H    GLU  71           H        GLU  71  11.163  11.892  -5.149
  550    HA   GLU  71           HA       GLU  71  10.691  13.657  -7.518
  551   1HB   GLU  71          2HB       GLU  71  10.855  11.719  -8.934
  552   2HB   GLU  71          1HB       GLU  71  12.255  11.666  -7.863
  553   1HG   GLU  71          2HG       GLU  71  10.540  10.288  -6.334
  554   2HG   GLU  71          1HG       GLU  71   9.842   9.917  -7.912
  555    H    ASP  72           H        ASP  72   8.877  14.083  -5.721
  556    HA   ASP  72           HA       ASP  72   6.839  12.086  -5.360
  557   1HB   ASP  72          2HB       ASP  72   5.605  14.110  -4.474
  558   2HB   ASP  72          1HB       ASP  72   7.198  13.859  -3.760
  559    H    PHE  73           H        PHE  73   4.970  11.755  -6.557
  560    HA   PHE  73           HA       PHE  73   4.708  12.239  -9.249
  561   1HB   PHE  73          2HB       PHE  73   2.608  11.361  -8.914
  562   2HB   PHE  73          1HB       PHE  73   3.220  11.104  -7.285
  563    HD1  PHE  73           1HD      PHE  73   1.460  13.664  -9.383
  564    HD2  PHE  73           2HD      PHE  73   2.119  12.057  -5.456
  565    HE1  PHE  73           1HE      PHE  73  -0.299  15.158  -8.477
  566    HE2  PHE  73           2HE      PHE  73   0.361  13.553  -4.548
  567    HZ   PHE  73           HZ       PHE  73  -0.848  15.104  -6.060
  568    H    VAL  74           H        VAL  74   4.592  14.081 -10.456
  569    HA   VAL  74           HA       VAL  74   2.842  16.252 -10.060
  570    HB   VAL  74           HB       VAL  74   5.052  16.150  -8.221
  571   1HG1  VAL  74          1HG1      VAL  74   5.023  18.552 -10.073
  572   2HG1  VAL  74          2HG1      VAL  74   6.341  17.395  -9.887
  573   3HG1  VAL  74          3HG1      VAL  74   5.911  18.466  -8.552
  574   1HG2  VAL  74          1HG2      VAL  74   2.822  16.810  -7.568
  575   2HG2  VAL  74          2HG2      VAL  74   2.813  18.125  -8.743
  576   3HG2  VAL  74          3HG2      VAL  74   3.875  18.205  -7.338
  577    H    LYS  75           H        LYS  75   2.869  17.370 -11.984
  578    HA   LYS  75           HA       LYS  75   4.376  16.756 -14.218
  579   1HB   LYS  75          2HB       LYS  75   3.755  19.038 -14.984
  580   2HB   LYS  75          1HB       LYS  75   2.417  18.249 -14.149
  581   1HG   LYS  75          2HG       LYS  75   2.350  19.915 -12.640
  582   2HG   LYS  75          1HG       LYS  75   4.032  19.608 -12.207
  583   1HD   LYS  75          2HD       LYS  75   3.801  20.966 -14.778
  584   2HD   LYS  75          1HD       LYS  75   3.062  21.894 -13.471
  585   1HE   LYS  75          2HE       LYS  75   5.223  21.430 -12.140
  586   2HE   LYS  75          1HE       LYS  75   5.925  20.942 -13.695
  587   1HZ   LYS  75          1HZ       LYS  75   4.353  23.387 -13.705
  588   2HZ   LYS  75          2HZ       LYS  75   5.797  23.021 -14.522
  589   3HZ   LYS  75          3HZ       LYS  75   5.836  23.474 -12.885
  590    HA   PRO  76           HA       PRO  76   8.462  18.173 -13.408
  591   1HB   PRO  76          2HB       PRO  76   9.327  18.535 -15.979
  592   2HB   PRO  76          1HB       PRO  76   9.108  16.931 -15.251
  593   1HG   PRO  76          2HG       PRO  76   7.340  18.416 -17.126
  594   2HG   PRO  76          1HG       PRO  76   7.706  16.688 -17.050
  595   1HD   PRO  76          2HD       PRO  76   5.397  17.797 -16.093
  596   2HD   PRO  76          1HD       PRO  76   6.098  16.286 -15.476
  Start of MODEL   10
    1    H    GLU   1           1HT      GLU   1  -2.282 -17.875 -16.456
    2    HA   GLU   1           HA       GLU   1  -4.358 -19.249 -15.696
    3   1HB   GLU   1          2HB       GLU   1  -2.579 -21.061 -17.314
    4   2HB   GLU   1          1HB       GLU   1  -3.519 -21.725 -15.978
    5   1HG   GLU   1          2HG       GLU   1  -4.857 -19.967 -18.017
    6   2HG   GLU   1          1HG       GLU   1  -4.577 -21.673 -18.374
    7    H    ARG   2           H        ARG   2  -4.047 -19.775 -13.518
    8    HA   ARG   2           HA       ARG   2  -2.893 -19.971 -11.464
    9   1HB   ARG   2          2HB       ARG   2  -1.926 -21.813 -13.253
   10   2HB   ARG   2          1HB       ARG   2  -0.448 -20.969 -12.789
   11   1HG   ARG   2          2HG       ARG   2  -1.589 -21.267 -10.353
   12   2HG   ARG   2          1HG       ARG   2  -2.229 -22.698 -11.161
   13   1HD   ARG   2          2HD       ARG   2   0.702 -21.933 -10.899
   14   2HD   ARG   2          1HD       ARG   2  -0.110 -23.319 -10.145
   15    HE   ARG   2           HE       ARG   2  -0.694 -23.697 -12.791
   16   1HH1  ARG   2          1HH2      ARG   2   1.861 -21.986 -13.143
   17   2HH1  ARG   2          2HH2      ARG   2   3.041 -23.234 -13.363
   18   1HH2  ARG   2          1HH1      ARG   2   0.979 -25.760 -12.185
   19   2HH2  ARG   2          2HH1      ARG   2   2.542 -25.370 -12.820
   20    H    ARG   3           H        ARG   3  -2.466 -17.832 -10.851
   21    HA   ARG   3           HA       ARG   3  -0.541 -16.123 -12.161
   22   1HB   ARG   3          2HB       ARG   3  -2.184 -16.156  -9.657
   23   2HB   ARG   3          1HB       ARG   3  -0.881 -14.973  -9.776
   24   1HG   ARG   3          2HG       ARG   3  -1.814 -14.234 -11.977
   25   2HG   ARG   3          1HG       ARG   3  -3.172 -15.333 -11.728
   26   1HD   ARG   3          2HD       ARG   3  -2.507 -13.366  -9.556
   27   2HD   ARG   3          1HD       ARG   3  -3.400 -12.807 -10.986
   28    HE   ARG   3           HE       ARG   3  -5.052 -14.639 -10.519
   29   1HH1  ARG   3          1HH1      ARG   3  -4.209 -12.590  -8.138
   30   2HH1  ARG   3          2HH1      ARG   3  -4.564 -13.634  -6.802
   31   1HH2  ARG   3          1HH2      ARG   3  -4.921 -16.468  -8.769
   32   2HH2  ARG   3          2HH2      ARG   3  -4.967 -15.830  -7.160
   33    H    ARG   4           H        ARG   4   1.205 -17.940 -12.100
   34    HA   ARG   4           HA       ARG   4   3.307 -18.619 -11.259
   35   1HB   ARG   4          2HB       ARG   4   2.717 -15.965 -10.351
   36   2HB   ARG   4          1HB       ARG   4   3.542 -16.823  -9.049
   37   1HG   ARG   4          2HG       ARG   4   5.506 -16.723 -10.145
   38   2HG   ARG   4          1HG       ARG   4   4.784 -17.420 -11.595
   39   1HD   ARG   4          2HD       ARG   4   4.940 -15.394 -12.593
   40   2HD   ARG   4          1HD       ARG   4   3.814 -14.746 -11.385
   41    HE   ARG   4           HE       ARG   4   5.686 -14.021 -10.065
   42   1HH1  ARG   4          1HH1      ARG   4   7.339 -16.529 -10.803
   43   2HH1  ARG   4          2HH1      ARG   4   8.670 -15.792 -11.631
   44   1HH2  ARG   4          1HH2      ARG   4   7.074 -12.739 -12.029
   45   2HH2  ARG   4          2HH2      ARG   4   8.520 -13.646 -12.325
   46    H    HIS   5           H        HIS   5   1.893 -17.435  -8.211
   47    HA   HIS   5           HA       HIS   5   0.961 -19.953  -7.221
   48   1HB   HIS   5          2HB       HIS   5   2.985 -20.374  -5.715
   49   2HB   HIS   5          1HB       HIS   5   3.239 -20.687  -7.432
   50    HD1  HIS   5           1HD      HIS   5   3.536 -17.621  -5.158
   51    HD2  HIS   5           2HD      HIS   5   5.575 -19.502  -8.270
   52    HE1  HIS   5           1HE      HIS   5   5.613 -16.238  -5.593
   53    H    SER   6           H        SER   6  -0.333 -17.728  -6.819
   54    HA   SER   6           HA       SER   6   0.557 -16.178  -4.499
   55   1HB   SER   6          2HB       SER   6  -1.748 -15.181  -4.829
   56   2HB   SER   6          1HB       SER   6  -0.731 -15.140  -6.266
   57    HG   SER   6           HG       SER   6  -2.811 -15.929  -6.746
   58    H    GLY   7           H        GLY   7  -0.123 -16.461  -2.373
   59   1HA   GLY   7          2HA       GLY   7  -2.444 -17.908  -1.562
   60   2HA   GLY   7          1HA       GLY   7  -1.053 -18.989  -1.483
   61    H    GLN   8           H        GLN   8   0.971 -17.602  -0.504
   62    HA   GLN   8           HA       GLN   8   0.356 -17.204   2.268
   63   1HB   GLN   8          2HB       GLN   8   2.717 -16.388   2.310
   64   2HB   GLN   8          1HB       GLN   8   2.546 -17.893   1.406
   65   1HG   GLN   8          2HG       GLN   8   2.092 -15.660  -0.359
   66   2HG   GLN   8          1HG       GLN   8   3.632 -15.447   0.477
   67   1HE2  GLN   8          1HE2      GLN   8   4.284 -18.258   0.788
   68   2HE2  GLN   8          2HE2      GLN   8   4.606 -18.884  -0.758
   69    H    ASP   9           H        ASP   9  -1.462 -15.605   2.018
   70    HA   ASP   9           HA       ASP   9  -2.303 -13.393   2.084
   71   1HB   ASP   9          2HB       ASP   9  -0.439 -13.592   3.880
   72   2HB   ASP   9          1HB       ASP   9   0.547 -12.654   2.756
   73    H    VAL  10           H        VAL  10  -1.825 -11.091   1.155
   74    HA   VAL  10           HA       VAL  10  -0.878 -11.436  -1.603
   75    HB   VAL  10           HB       VAL  10  -2.893  -9.963  -0.187
   76   1HG1  VAL  10          1HG1      VAL  10  -1.239  -8.254  -2.056
   77   2HG1  VAL  10          2HG1      VAL  10  -1.131  -8.153  -0.301
   78   3HG1  VAL  10          3HG1      VAL  10  -2.644  -7.765  -1.114
   79   1HG2  VAL  10          1HG2      VAL  10  -2.604  -9.612  -3.111
   80   2HG2  VAL  10          2HG2      VAL  10  -3.977 -10.215  -2.181
   81   3HG2  VAL  10          3HG2      VAL  10  -2.628 -11.288  -2.562
   82    H    HIS  11           H        HIS  11   0.904 -10.315  -2.437
   83    HA   HIS  11           HA       HIS  11   2.377  -8.476  -0.571
   84   1HB   HIS  11          2HB       HIS  11   3.091 -11.062  -1.695
   85   2HB   HIS  11          1HB       HIS  11   4.241  -9.824  -2.201
   86    HD1  HIS  11           1HD      HIS  11   6.137  -9.684  -0.606
   87    HD2  HIS  11           2HD      HIS  11   2.567 -10.567   1.355
   88    HE1  HIS  11           1HE      HIS  11   6.696  -9.845   1.861
   89    H    VAL  12           H        VAL  12   2.989  -6.561  -1.591
   90    HA   VAL  12           HA       VAL  12   3.419  -6.471  -4.503
   91    HB   VAL  12           HB       VAL  12   1.002  -5.350  -3.093
   92   1HG1  VAL  12          1HG1      VAL  12   2.129  -4.443  -5.760
   93   2HG1  VAL  12          2HG1      VAL  12   2.062  -3.469  -4.292
   94   3HG1  VAL  12          3HG1      VAL  12   0.569  -3.963  -5.091
   95   1HG2  VAL  12          1HG2      VAL  12   1.606  -7.200  -5.361
   96   2HG2  VAL  12          2HG2      VAL  12   0.142  -6.221  -5.474
   97   3HG2  VAL  12          3HG2      VAL  12   0.364  -7.322  -4.114
   98    H    VAL  13           H        VAL  13   3.984  -4.168  -5.176
   99    HA   VAL  13           HA       VAL  13   5.703  -2.947  -3.108
  100    HB   VAL  13           HB       VAL  13   5.244  -2.248  -6.025
  101   1HG1  VAL  13          1HG1      VAL  13   7.899  -1.771  -5.210
  102   2HG1  VAL  13          2HG1      VAL  13   6.884  -1.140  -3.913
  103   3HG1  VAL  13          3HG1      VAL  13   6.665  -0.561  -5.564
  104   1HG2  VAL  13          1HG2      VAL  13   7.600  -3.830  -5.092
  105   2HG2  VAL  13          2HG2      VAL  13   6.755  -3.882  -6.640
  106   3HG2  VAL  13          3HG2      VAL  13   6.058  -4.674  -5.227
  107    H    LEU  14           H        LEU  14   5.582  -0.652  -2.602
  108    HA   LEU  14           HA       LEU  14   3.086   0.773  -3.387
  109   1HB   LEU  14          2HB       LEU  14   2.533  -0.491  -1.380
  110   2HB   LEU  14          1HB       LEU  14   3.995   0.079  -0.575
  111    HG   LEU  14           HG       LEU  14   2.047   2.100  -1.626
  112   1HD1  LEU  14          1HD1      LEU  14   1.143   0.080   0.020
  113   2HD1  LEU  14          2HD1      LEU  14   0.452   1.702  -0.056
  114   3HD1  LEU  14          3HD1      LEU  14   1.646   1.309   1.180
  115   1HD2  LEU  14          1HD2      LEU  14   4.454   2.229  -0.297
  116   2HD2  LEU  14          2HD2      LEU  14   3.301   2.357   1.031
  117   3HD2  LEU  14          3HD2      LEU  14   3.244   3.513  -0.301
  118    H    LYS  15           H        LYS  15   3.512   2.988  -3.617
  119    HA   LYS  15           HA       LYS  15   6.086   3.986  -2.538
  120   1HB   LYS  15          2HB       LYS  15   6.483   3.983  -4.810
  121   2HB   LYS  15          1HB       LYS  15   4.764   4.094  -5.200
  122   1HG   LYS  15          2HG       LYS  15   4.707   6.394  -4.942
  123   2HG   LYS  15          1HG       LYS  15   6.107   6.418  -3.871
  124   1HD   LYS  15          2HD       LYS  15   6.325   5.613  -6.777
  125   2HD   LYS  15          1HD       LYS  15   6.487   7.289  -6.253
  126   1HE   LYS  15          2HE       LYS  15   8.677   6.828  -5.866
  127   2HE   LYS  15          1HE       LYS  15   8.134   5.836  -4.499
  128   1HZ   LYS  15          1HZ       LYS  15   8.626   4.995  -7.294
  129   2HZ   LYS  15          2HZ       LYS  15   7.657   4.073  -6.247
  130   3HZ   LYS  15          3HZ       LYS  15   9.290   4.353  -5.871
  131    H    LEU  16           H        LEU  16   6.076   6.266  -1.902
  132    HA   LEU  16           HA       LEU  16   3.312   7.387  -1.531
  133   1HB   LEU  16          2HB       LEU  16   4.804   6.374   0.450
  134   2HB   LEU  16          1HB       LEU  16   5.507   7.991   0.403
  135    HG   LEU  16           HG       LEU  16   2.593   8.050   0.234
  136   1HD1  LEU  16          1HD1      LEU  16   2.872   7.544   2.950
  137   2HD1  LEU  16          2HD1      LEU  16   3.847   6.281   2.200
  138   3HD1  LEU  16          3HD1      LEU  16   2.145   6.453   1.771
  139   1HD2  LEU  16          1HD2      LEU  16   4.103   9.192   2.530
  140   2HD2  LEU  16          2HD2      LEU  16   2.892   9.945   1.490
  141   3HD2  LEU  16          3HD2      LEU  16   4.555   9.773   0.927
  142    H    TRP  17           H        TRP  17   3.232   9.098  -2.937
  143    HA   TRP  17           HA       TRP  17   5.621  10.662  -3.606
  144   1HB   TRP  17          2HB       TRP  17   2.727  11.195  -4.325
  145   2HB   TRP  17          1HB       TRP  17   4.167  11.625  -5.240
  146    HD1  TRP  17           HD       TRP  17   1.923   8.667  -4.406
  147    HE1  TRP  17           1HE      TRP  17   2.445   6.757  -6.016
  148    HE3  TRP  17           3HE      TRP  17   5.989  10.528  -6.792
  149    HZ2  TRP  17           2HZ      TRP  17   4.282   6.068  -8.054
  150    HZ3  TRP  17           3HZ      TRP  17   7.121   9.240  -8.580
  151    HH2  TRP  17           HH       TRP  17   6.263   6.998  -9.212
  152    H    LYS  18           H        LYS  18   5.352  13.149  -3.510
  153    HA   LYS  18           HA       LYS  18   5.470  14.214  -1.012
  154   1HB   LYS  18          2HB       LYS  18   5.245  15.133  -3.621
  155   2HB   LYS  18          1HB       LYS  18   3.909  15.933  -2.789
  156   1HG   LYS  18          2HG       LYS  18   5.303  17.120  -1.390
  157   2HG   LYS  18          1HG       LYS  18   6.552  15.875  -1.404
  158   1HD   LYS  18          2HD       LYS  18   6.580  16.618  -4.019
  159   2HD   LYS  18          1HD       LYS  18   6.131  18.145  -3.259
  160   1HE   LYS  18          2HE       LYS  18   8.326  18.441  -2.766
  161   2HE   LYS  18          1HE       LYS  18   8.192  17.070  -1.646
  162   1HZ   LYS  18          1HZ       LYS  18   9.687  16.180  -3.081
  163   2HZ   LYS  18          2HZ       LYS  18   9.178  17.130  -4.394
  164   3HZ   LYS  18          3HZ       LYS  18   8.281  15.763  -3.931
  165    H    THR  19           H        THR  19   2.350  14.026  -2.806
  166    HA   THR  19           HA       THR  19   0.984  14.068  -0.135
  167    HB   THR  19           HB       THR  19   0.856  16.295  -1.055
  168    HG1  THR  19           1HG      THR  19  -1.461  16.290  -1.681
  169   1HG2  THR  19          1HG2      THR  19   1.411  16.201  -3.297
  170   2HG2  THR  19          2HG2      THR  19  -0.337  16.389  -3.426
  171   3HG2  THR  19          3HG2      THR  19   0.392  14.793  -3.596
  172    H    GLY  20           H        GLY  20   1.637  12.050  -2.419
  173   1HA   GLY  20          2HA       GLY  20  -0.985  10.761  -2.344
  174   2HA   GLY  20          1HA       GLY  20  -0.384  11.133  -3.952
  175    H    PHE  21           H        PHE  21  -0.830   8.494  -2.813
  176    HA   PHE  21           HA       PHE  21   1.994   7.483  -2.941
  177   1HB   PHE  21          2HB       PHE  21   0.812   5.558  -1.515
  178   2HB   PHE  21          1HB       PHE  21   1.435   7.012  -0.744
  179    HD1  PHE  21           1HD      PHE  21   0.008   7.775   0.921
  180    HD2  PHE  21           2HD      PHE  21  -1.694   6.216  -2.684
  181    HE1  PHE  21           1HE      PHE  21  -2.248   8.315   1.751
  182    HE2  PHE  21           2HE      PHE  21  -3.947   6.756  -1.859
  183    HZ   PHE  21           HZ       PHE  21  -4.209   7.803   0.354
  184    H    SER  22           H        SER  22   2.289   5.534  -4.163
  185    HA   SER  22           HA       SER  22  -0.015   4.876  -5.959
  186   1HB   SER  22          2HB       SER  22   1.877   5.590  -7.209
  187   2HB   SER  22          1HB       SER  22   2.989   4.684  -6.192
  188    HG   SER  22           HG       SER  22   2.095   3.869  -8.413
  189    H    LEU  23           H        LEU  23   0.230   2.493  -6.761
  190    HA   LEU  23           HA       LEU  23   1.236   0.555  -4.835
  191   1HB   LEU  23          2HB       LEU  23  -1.083   1.774  -4.186
  192   2HB   LEU  23          1HB       LEU  23  -1.684   0.433  -5.147
  193    HG   LEU  23           HG       LEU  23  -1.591  -0.388  -2.942
  194   1HD1  LEU  23          1HD1      LEU  23   0.731  -1.232  -4.655
  195   2HD1  LEU  23          2HD1      LEU  23  -0.748  -2.117  -4.277
  196   3HD1  LEU  23          3HD1      LEU  23   0.515  -1.944  -3.057
  197   1HD2  LEU  23          1HD2      LEU  23   0.732  -0.251  -1.742
  198   2HD2  LEU  23          2HD2      LEU  23  -0.321   1.163  -1.730
  199   3HD2  LEU  23          3HD2      LEU  23   1.030   1.079  -2.861
  200    H    ASP  24           H        ASP  24   1.999  -0.948  -6.283
  201    HA   ASP  24           HA       ASP  24   1.919  -2.594  -7.984
  202   1HB   ASP  24          2HB       ASP  24  -0.575  -2.465  -6.897
  203   2HB   ASP  24          1HB       ASP  24  -0.934  -2.034  -8.570
  204    H    ASN  25           H        ASN  25  -0.102  -2.229 -10.239
  205    HA   ASN  25           HA       ASN  25   1.500  -0.261 -11.775
  206   1HB   ASN  25          2HB       ASN  25   0.196  -2.754 -12.227
  207   2HB   ASN  25          1HB       ASN  25  -0.520  -1.555 -13.303
  208   1HD2  ASN  25          1HD2      ASN  25   1.100  -3.632 -14.375
  209   2HD2  ASN  25          2HD2      ASN  25   2.545  -2.956 -14.954
  210    H    GLY  26           H        GLY  26  -1.465  -0.417 -10.097
  211   1HA   GLY  26          2HA       GLY  26  -3.242   1.075 -11.681
  212   2HA   GLY  26          1HA       GLY  26  -3.212   1.145  -9.920
  213    H    ASP  27           H        ASP  27  -3.786   3.418 -11.477
  214    HA   ASP  27           HA       ASP  27  -1.527   5.088 -11.997
  215   1HB   ASP  27          2HB       ASP  27  -3.340   6.879 -11.809
  216   2HB   ASP  27          1HB       ASP  27  -3.674   5.573 -12.946
  217    H    LEU  28           H        LEU  28  -1.816   7.408 -10.605
  218    HA   LEU  28           HA       LEU  28  -0.730   6.736  -7.974
  219   1HB   LEU  28          2HB       LEU  28   0.333   8.478  -9.138
  220   2HB   LEU  28          1HB       LEU  28  -1.201   9.192  -9.601
  221    HG   LEU  28           HG       LEU  28  -1.387   9.280  -6.872
  222   1HD1  LEU  28          1HD1      LEU  28   1.296   8.684  -7.357
  223   2HD1  LEU  28          2HD1      LEU  28   0.629   9.339  -5.862
  224   3HD1  LEU  28          3HD1      LEU  28   1.283  10.426  -7.087
  225   1HD2  LEU  28          1HD2      LEU  28  -1.868  11.353  -7.624
  226   2HD2  LEU  28          2HD2      LEU  28  -0.892  11.115  -9.074
  227   3HD2  LEU  28          3HD2      LEU  28  -0.135  11.684  -7.586
  228    H    ARG  29           H        ARG  29  -1.714   7.251  -5.965
  229    HA   ARG  29           HA       ARG  29  -4.650   7.826  -6.120
  230   1HB   ARG  29          2HB       ARG  29  -2.845   6.182  -4.383
  231   2HB   ARG  29          1HB       ARG  29  -4.333   6.815  -3.676
  232   1HG   ARG  29          2HG       ARG  29  -5.693   5.548  -5.046
  233   2HG   ARG  29          1HG       ARG  29  -4.512   5.505  -6.356
  234   1HD   ARG  29          2HD       ARG  29  -3.200   4.168  -4.306
  235   2HD   ARG  29          1HD       ARG  29  -4.880   3.619  -4.143
  236    HE   ARG  29           HE       ARG  29  -3.270   3.416  -6.655
  237   1HH1  ARG  29          1HH2      ARG  29  -6.350   3.162  -5.234
  238   2HH1  ARG  29          2HH2      ARG  29  -6.759   1.672  -6.017
  239   1HH2  ARG  29          1HH1      ARG  29  -3.625   1.251  -7.439
  240   2HH2  ARG  29          2HH1      ARG  29  -5.216   0.592  -7.266
  241    H    SER  30           H        SER  30  -5.454   9.591  -4.984
  242    HA   SER  30           HA       SER  30  -3.487  11.496  -3.868
  243   1HB   SER  30          2HB       SER  30  -5.996  11.551  -5.222
  244   2HB   SER  30          1HB       SER  30  -6.230  12.322  -3.655
  245    HG   SER  30           HG       SER  30  -4.071  13.361  -4.313
  246    H    TYR  31           H        TYR  31  -3.016  11.389  -1.714
  247    HA   TYR  31           HA       TYR  31  -3.927   9.798   0.288
  248   1HB   TYR  31          2HB       TYR  31  -2.800  12.486   0.056
  249   2HB   TYR  31          1HB       TYR  31  -3.729  12.282   1.541
  250    HD1  TYR  31           1HD      TYR  31  -0.798  11.146  -0.378
  251    HD2  TYR  31           2HD      TYR  31  -3.076  10.635   3.229
  252    HE1  TYR  31           1HE      TYR  31   1.072   9.850   0.619
  253    HE2  TYR  31           2HE      TYR  31  -1.209   9.341   4.224
  254    HH   TYR  31           HH       TYR  31   0.735   8.272   3.764
  255    H    GLN  32           H        GLN  32  -5.697  12.604  -0.966
  256    HA   GLN  32           HA       GLN  32  -7.709  12.654   1.085
  257   1HB   GLN  32          2HB       GLN  32  -7.228  14.591  -0.263
  258   2HB   GLN  32          1HB       GLN  32  -7.537  13.692  -1.749
  259   1HG   GLN  32          2HG       GLN  32  -9.737  13.775   0.259
  260   2HG   GLN  32          1HG       GLN  32  -9.402  15.266  -0.621
  261   1HE2  GLN  32          1HE2      GLN  32  -9.390  15.067  -3.076
  262   2HE2  GLN  32          2HE2      GLN  32 -10.399  13.906  -3.796
  263    H    ASP  33           H        ASP  33  -7.497  11.098  -2.089
  264    HA   ASP  33           HA       ASP  33 -10.028  10.246  -2.676
  265   1HB   ASP  33          2HB       ASP  33  -8.475   9.359  -4.110
  266   2HB   ASP  33          1HB       ASP  33  -7.299   9.091  -2.825
  267    HA   PRO  34           HA       PRO  34 -11.612   7.844   0.651
  268   1HB   PRO  34          2HB       PRO  34 -13.117   6.002  -0.704
  269   2HB   PRO  34          1HB       PRO  34 -13.592   7.706  -0.542
  270   1HG   PRO  34          2HG       PRO  34 -12.321   6.308  -2.843
  271   2HG   PRO  34          1HG       PRO  34 -13.576   7.556  -2.833
  272   1HD   PRO  34          2HD       PRO  34 -10.958   8.067  -3.390
  273   2HD   PRO  34          1HD       PRO  34 -12.060   9.266  -2.673
  274    H    SER  35           H        SER  35 -10.487   5.817  -2.092
  275    HA   SER  35           HA       SER  35 -10.035   3.381  -0.843
  276   1HB   SER  35          2HB       SER  35  -9.558   4.123  -3.233
  277   2HB   SER  35          1HB       SER  35  -8.044   4.800  -2.639
  278    HG   SER  35           HG       SER  35  -7.978   2.577  -3.467
  279    H    ASN  36           H        ASN  36  -8.342   6.406  -0.345
  280    HA   ASN  36           HA       ASN  36  -5.980   5.482   0.922
  281   1HB   ASN  36          2HB       ASN  36  -7.601   7.947   1.605
  282   2HB   ASN  36          1HB       ASN  36  -5.853   7.751   1.727
  283   1HD2  ASN  36          1HD2      ASN  36  -5.613   6.315  -0.861
  284   2HD2  ASN  36          2HD2      ASN  36  -5.861   7.479  -2.072
  285    H    ALA  37           H        ALA  37  -9.247   5.259   1.922
  286    HA   ALA  37           HA       ALA  37  -9.070   5.495   4.742
  287   1HB   ALA  37          1HB       ALA  37 -11.187   4.466   4.675
  288   2HB   ALA  37          2HB       ALA  37 -10.734   3.415   3.333
  289   3HB   ALA  37          3HB       ALA  37 -11.048   5.128   3.044
  290    H    GLN  38           H        GLN  38  -8.895   2.539   2.730
  291    HA   GLN  38           HA       GLN  38  -7.824   0.943   4.939
  292   1HB   GLN  38          2HB       GLN  38  -9.269   0.260   2.870
  293   2HB   GLN  38          1HB       GLN  38  -7.736   0.245   2.001
  294   1HG   GLN  38          2HG       GLN  38  -7.428  -1.856   2.780
  295   2HG   GLN  38          1HG       GLN  38  -7.205  -1.147   4.378
  296   1HE2  GLN  38          1HE2      GLN  38  -9.492  -0.576   5.465
  297   2HE2  GLN  38          2HE2      GLN  38 -10.662  -1.797   5.337
  298    H    PHE  39           H        PHE  39  -6.568   3.001   2.446
  299    HA   PHE  39           HA       PHE  39  -3.891   1.873   2.331
  300   1HB   PHE  39          2HB       PHE  39  -5.203   3.406   0.674
  301   2HB   PHE  39          1HB       PHE  39  -4.676   4.719   1.724
  302    HD1  PHE  39           1HD      PHE  39  -3.724   2.529  -0.980
  303    HD2  PHE  39           2HD      PHE  39  -2.167   4.922   2.238
  304    HE1  PHE  39           1HE      PHE  39  -1.502   2.552  -2.067
  305    HE2  PHE  39           2HE      PHE  39   0.056   4.940   1.143
  306    HZ   PHE  39           HZ       PHE  39   0.389   3.755  -1.010
  307    H    LEU  40           H        LEU  40  -4.959   5.044   3.541
  308    HA   LEU  40           HA       LEU  40  -2.721   5.694   5.065
  309   1HB   LEU  40          2HB       LEU  40  -5.077   6.788   4.411
  310   2HB   LEU  40          1HB       LEU  40  -5.413   6.337   6.069
  311    HG   LEU  40           HG       LEU  40  -4.046   7.946   6.925
  312   1HD1  LEU  40          1HD1      LEU  40  -1.970   6.902   6.251
  313   2HD1  LEU  40          2HD1      LEU  40  -1.880   8.606   5.806
  314   3HD1  LEU  40          3HD1      LEU  40  -2.214   7.389   4.575
  315   1HD2  LEU  40          1HD2      LEU  40  -3.573   9.690   4.867
  316   2HD2  LEU  40          2HD2      LEU  40  -5.107   9.568   5.730
  317   3HD2  LEU  40          3HD2      LEU  40  -4.882   8.714   4.201
  318    H    GLU  41           H        GLU  41  -5.548   3.777   5.999
  319    HA   GLU  41           HA       GLU  41  -4.719   3.463   8.744
  320   1HB   GLU  41          2HB       GLU  41  -6.736   2.363   8.937
  321   2HB   GLU  41          1HB       GLU  41  -7.028   3.199   7.415
  322   1HG   GLU  41          2HG       GLU  41  -6.433   1.233   6.141
  323   2HG   GLU  41          1HG       GLU  41  -5.886   0.397   7.596
  324    H    SER  42           H        SER  42  -4.638   1.281   5.930
  325    HA   SER  42           HA       SER  42  -3.207  -0.797   7.326
  326   1HB   SER  42          2HB       SER  42  -4.772  -0.833   5.239
  327   2HB   SER  42          1HB       SER  42  -3.307  -0.435   4.344
  328    HG   SER  42           HG       SER  42  -2.863  -2.476   4.478
  329    H    ILE  43           H        ILE  43  -2.250   1.525   4.792
  330    HA   ILE  43           HA       ILE  43   0.465   0.878   4.580
  331    HB   ILE  43           HB       ILE  43  -1.332   3.034   3.956
  332   1HG1  ILE  43          2HG1      ILE  43   0.617   1.385   2.740
  333   2HG1  ILE  43          1HG1      ILE  43  -0.507   2.486   1.949
  334   1HG2  ILE  43          1HG2      ILE  43   0.043   4.324   5.548
  335   2HG2  ILE  43          2HG2      ILE  43   0.286   4.876   3.891
  336   3HG2  ILE  43          3HG2      ILE  43   1.493   3.848   4.664
  337   1HD1  ILE  43          1HD1      ILE  43   1.665   3.178   1.248
  338   2HD1  ILE  43          2HD1      ILE  43   2.308   3.071   2.886
  339   3HD1  ILE  43          3HD1      ILE  43   1.169   4.350   2.468
  340    H    ARG  44           H        ARG  44  -1.127   3.051   6.891
  341    HA   ARG  44           HA       ARG  44   1.177   3.962   8.273
  342   1HB   ARG  44          2HB       ARG  44  -1.738   3.648   8.777
  343   2HB   ARG  44          1HB       ARG  44  -0.724   3.885  10.200
  344   1HG   ARG  44          2HG       ARG  44   0.308   5.774   8.524
  345   2HG   ARG  44          1HG       ARG  44  -1.383   5.775   8.021
  346   1HD   ARG  44          2HD       ARG  44  -2.128   6.216  10.292
  347   2HD   ARG  44          1HD       ARG  44  -0.473   6.029  10.910
  348    HE   ARG  44           HE       ARG  44  -0.483   7.978   8.808
  349   1HH1  ARG  44          1HH1      ARG  44   0.312   7.804  11.934
  350   2HH1  ARG  44          2HH1      ARG  44  -0.368   9.315  12.438
  351   1HH2  ARG  44          1HH2      ARG  44  -2.149   9.796   9.502
  352   2HH2  ARG  44          2HH2      ARG  44  -1.761  10.443  11.062
  353    H    ARG  45           H        ARG  45  -0.965   1.214   9.004
  354    HA   ARG  45           HA       ARG  45   0.647   0.185  11.151
  355   1HB   ARG  45          2HB       ARG  45  -1.823  -0.340   9.791
  356   2HB   ARG  45          1HB       ARG  45  -0.917  -1.849   9.905
  357   1HG   ARG  45          2HG       ARG  45  -1.069  -0.096  12.327
  358   2HG   ARG  45          1HG       ARG  45  -2.480  -1.066  11.899
  359   1HD   ARG  45          2HD       ARG  45  -1.363  -2.642  13.175
  360   2HD   ARG  45          1HD       ARG  45  -0.543  -2.947  11.629
  361    HE   ARG  45           HE       ARG  45   0.706  -0.760  13.051
  362   1HH1  ARG  45          1HH2      ARG  45   0.196  -3.589  14.556
  363   2HH1  ARG  45          2HH2      ARG  45   1.828  -4.167  14.520
  364   1HH2  ARG  45          1HH1      ARG  45   2.915  -1.756  12.279
  365   2HH2  ARG  45          2HH1      ARG  45   3.368  -3.130  13.231
  366    H    GLY  46           H        GLY  46   1.001   0.135   7.756
  367   1HA   GLY  46          2HA       GLY  46   3.062  -0.651   6.747
  368   2HA   GLY  46          1HA       GLY  46   3.134  -1.881   7.994
  369    H    GLU  47           H        GLU  47   0.401  -0.970   5.930
  370    HA   GLU  47           HA       GLU  47   0.605  -3.556   4.487
  371   1HB   GLU  47          2HB       GLU  47  -1.583  -2.710   6.392
  372   2HB   GLU  47          1HB       GLU  47  -1.846  -3.951   5.168
  373   1HG   GLU  47          2HG       GLU  47  -0.047  -5.308   6.081
  374   2HG   GLU  47          1HG       GLU  47   0.372  -4.037   7.232
  375    H    VAL  48           H        VAL  48  -0.227  -3.368   2.405
  376    HA   VAL  48           HA       VAL  48  -1.247  -0.753   1.567
  377    HB   VAL  48           HB       VAL  48   0.445  -1.724   0.192
  378   1HG1  VAL  48          1HG1      VAL  48   0.587  -3.975   0.730
  379   2HG1  VAL  48          2HG1      VAL  48  -0.228  -4.086  -0.829
  380   3HG1  VAL  48          3HG1      VAL  48  -1.159  -4.202   0.664
  381   1HG2  VAL  48          1HG2      VAL  48  -1.270  -0.740  -1.175
  382   2HG2  VAL  48          2HG2      VAL  48  -2.316  -2.146  -0.982
  383   3HG2  VAL  48          3HG2      VAL  48  -0.840  -2.271  -1.934
  384    HA   PRO  49           HA       PRO  49  -5.458  -1.988   1.728
  385   1HB   PRO  49          2HB       PRO  49  -6.482  -0.112   0.033
  386   2HB   PRO  49          1HB       PRO  49  -5.944   0.252   1.684
  387   1HG   PRO  49          2HG       PRO  49  -4.539   0.691  -0.900
  388   2HG   PRO  49          1HG       PRO  49  -4.610   1.717   0.534
  389   1HD   PRO  49          2HD       PRO  49  -2.488   0.135  -0.068
  390   2HD   PRO  49          1HD       PRO  49  -2.917   0.589   1.593
  391    H    ALA  50           H        ALA  50  -5.178  -0.808  -1.608
  392    HA   ALA  50           HA       ALA  50  -6.868  -2.500  -2.917
  393   1HB   ALA  50          1HB       ALA  50  -4.380  -1.078  -3.535
  394   2HB   ALA  50          2HB       ALA  50  -5.872  -1.174  -4.470
  395   3HB   ALA  50          3HB       ALA  50  -4.663  -2.449  -4.607
  396    H    GLU  51           H        GLU  51  -3.530  -3.328  -1.989
  397    HA   GLU  51           HA       GLU  51  -3.572  -5.983  -3.096
  398   1HB   GLU  51          2HB       GLU  51  -1.986  -4.753  -0.828
  399   2HB   GLU  51          1HB       GLU  51  -1.536  -6.202  -1.723
  400   1HG   GLU  51          2HG       GLU  51  -1.872  -3.427  -2.898
  401   2HG   GLU  51          1HG       GLU  51  -0.336  -4.245  -2.613
  402    H    LEU  52           H        LEU  52  -3.856  -4.898   0.360
  403    HA   LEU  52           HA       LEU  52  -4.552  -7.455   1.372
  404   1HB   LEU  52          2HB       LEU  52  -5.772  -6.013   3.144
  405   2HB   LEU  52          1HB       LEU  52  -4.038  -5.796   2.972
  406    HG   LEU  52           HG       LEU  52  -4.686  -3.903   1.306
  407   1HD1  LEU  52          1HD1      LEU  52  -6.818  -3.043   1.344
  408   2HD1  LEU  52          2HD1      LEU  52  -7.149  -3.659   2.963
  409   3HD1  LEU  52          3HD1      LEU  52  -7.194  -4.751   1.582
  410   1HD2  LEU  52          1HD2      LEU  52  -5.536  -3.027   3.981
  411   2HD2  LEU  52          2HD2      LEU  52  -4.161  -2.501   3.018
  412   3HD2  LEU  52          3HD2      LEU  52  -4.047  -3.970   3.987
  413    H    ARG  53           H        ARG  53  -6.410  -5.151  -0.445
  414    HA   ARG  53           HA       ARG  53  -8.954  -6.281   0.247
  415   1HB   ARG  53          2HB       ARG  53  -7.816  -4.310  -1.658
  416   2HB   ARG  53          1HB       ARG  53  -9.345  -5.044  -2.147
  417   1HG   ARG  53          2HG       ARG  53 -10.192  -4.477   0.206
  418   2HG   ARG  53          1HG       ARG  53  -8.760  -3.458   0.359
  419   1HD   ARG  53          2HD       ARG  53 -10.020  -1.835  -0.629
  420   2HD   ARG  53          1HD       ARG  53  -9.795  -2.751  -2.133
  421    HE   ARG  53           HE       ARG  53 -11.957  -3.733  -0.394
  422   1HH1  ARG  53          1HH1      ARG  53 -12.815  -1.014  -1.163
  423   2HH1  ARG  53          2HH1      ARG  53 -13.579  -1.268  -2.696
  424   1HH2  ARG  53          1HH2      ARG  53 -12.154  -4.389  -3.190
  425   2HH2  ARG  53          2HH2      ARG  53 -13.205  -3.179  -3.845
  426    H    ARG  54           H        ARG  54  -6.459  -6.975  -2.092
  427    HA   ARG  54           HA       ARG  54  -8.001  -8.654  -3.830
  428   1HB   ARG  54          2HB       ARG  54  -5.130  -8.106  -3.210
  429   2HB   ARG  54          1HB       ARG  54  -5.508  -9.539  -4.166
  430   1HG   ARG  54          2HG       ARG  54  -6.986  -7.929  -5.580
  431   2HG   ARG  54          1HG       ARG  54  -6.037  -6.648  -4.823
  432   1HD   ARG  54          2HD       ARG  54  -4.058  -8.394  -5.579
  433   2HD   ARG  54          1HD       ARG  54  -5.232  -8.589  -6.896
  434    HE   ARG  54           HE       ARG  54  -3.603  -6.313  -6.612
  435   1HH1  ARG  54          1HH2      ARG  54  -6.766  -7.315  -7.428
  436   2HH1  ARG  54          2HH2      ARG  54  -7.308  -5.733  -7.881
  437   1HH2  ARG  54          1HH1      ARG  54  -4.370  -4.160  -6.920
  438   2HH2  ARG  54          2HH1      ARG  54  -5.952  -3.947  -7.594
  439    H    LEU  55           H        LEU  55  -5.550  -9.565  -1.394
  440    HA   LEU  55           HA       LEU  55  -6.875 -12.197  -1.156
  441   1HB   LEU  55          2HB       LEU  55  -4.149 -11.092  -0.604
  442   2HB   LEU  55          1HB       LEU  55  -4.642 -12.612   0.130
  443    HG   LEU  55           HG       LEU  55  -4.441 -11.964  -2.816
  444   1HD1  LEU  55          1HD1      LEU  55  -2.766 -13.604  -2.867
  445   2HD1  LEU  55          2HD1      LEU  55  -3.329 -14.361  -1.376
  446   3HD1  LEU  55          3HD1      LEU  55  -2.476 -12.819  -1.315
  447   1HD2  LEU  55          1HD2      LEU  55  -5.211 -14.525  -2.847
  448   2HD2  LEU  55          2HD2      LEU  55  -6.389 -13.212  -2.885
  449   3HD2  LEU  55          3HD2      LEU  55  -6.036 -14.037  -1.367
  450    H    ALA  56           H        ALA  56  -5.407  -9.762   0.980
  451    HA   ALA  56           HA       ALA  56  -6.136 -10.772   3.466
  452   1HB   ALA  56          1HB       ALA  56  -6.487  -7.860   3.080
  453   2HB   ALA  56          2HB       ALA  56  -4.969  -8.528   2.483
  454   3HB   ALA  56          3HB       ALA  56  -5.413  -8.726   4.177
  455    H    HIS  57           H        HIS  57  -8.113  -8.592   1.455
  456    HA   HIS  57           HA       HIS  57 -10.456  -8.249   1.439
  457   1HB   HIS  57          2HB       HIS  57  -9.918 -11.002   2.339
  458   2HB   HIS  57          1HB       HIS  57 -11.496 -10.386   2.823
  459    HD1  HIS  57           1HD      HIS  57 -10.751 -12.543   0.467
  460    HD2  HIS  57           2HD      HIS  57 -12.004  -8.594   0.000
  461    HE1  HIS  57           1HE      HIS  57 -11.744 -12.377  -1.857
  462    H    GLY  58           H        GLY  58  -8.994  -6.942   3.476
  463   1HA   GLY  58          2HA       GLY  58 -11.013  -6.177   5.289
  464   2HA   GLY  58          1HA       GLY  58 -10.005  -7.370   6.103
  465    H    GLY  59           H        GLY  59  -7.528  -6.699   4.943
  466   1HA   GLY  59          2HA       GLY  59  -6.412  -4.359   4.644
  467   2HA   GLY  59          1HA       GLY  59  -7.053  -4.099   6.255
  468    H    GLN  60           H        GLN  60  -5.230  -6.661   4.603
  469    HA   GLN  60           HA       GLN  60  -3.127  -6.488   6.648
  470   1HB   GLN  60          2HB       GLN  60  -5.055  -8.761   6.251
  471   2HB   GLN  60          1HB       GLN  60  -3.438  -9.077   6.885
  472   1HG   GLN  60          2HG       GLN  60  -3.935  -7.186   8.574
  473   2HG   GLN  60          1HG       GLN  60  -5.621  -7.380   8.092
  474   1HE2  GLN  60          1HE2      GLN  60  -3.267  -8.546  10.245
  475   2HE2  GLN  60          2HE2      GLN  60  -4.036  -9.992  10.690
  476    H    VAL  61           H        VAL  61  -1.715  -5.937   4.842
  477    HA   VAL  61           HA       VAL  61  -0.861  -8.286   3.300
  478    HB   VAL  61           HB       VAL  61  -2.267  -5.888   2.257
  479   1HG1  VAL  61          1HG1      VAL  61  -0.022  -7.268   0.754
  480   2HG1  VAL  61          2HG1      VAL  61   0.017  -5.613   1.353
  481   3HG1  VAL  61          3HG1      VAL  61  -1.117  -6.063   0.083
  482   1HG2  VAL  61          1HG2      VAL  61  -3.084  -7.542   0.628
  483   2HG2  VAL  61          2HG2      VAL  61  -3.268  -8.159   2.270
  484   3HG2  VAL  61          3HG2      VAL  61  -1.948  -8.737   1.257
  485    H    ASN  62           H        ASN  62   1.295  -8.092   2.482
  486    HA   ASN  62           HA       ASN  62   2.957  -6.069   3.866
  487   1HB   ASN  62          2HB       ASN  62   3.161  -8.765   2.851
  488   2HB   ASN  62          1HB       ASN  62   4.464  -7.783   2.182
  489   1HD2  ASN  62          1HD2      ASN  62   3.675  -9.663   4.850
  490   2HD2  ASN  62          2HD2      ASN  62   4.760  -8.999   5.973
  491    H    LEU  63           H        LEU  63   3.538  -4.183   2.783
  492    HA   LEU  63           HA       LEU  63   3.464  -4.198  -0.172
  493   1HB   LEU  63          2HB       LEU  63   2.954  -1.794   0.120
  494   2HB   LEU  63          1HB       LEU  63   1.774  -2.816   0.927
  495    HG   LEU  63           HG       LEU  63   4.124  -2.097   2.561
  496   1HD1  LEU  63          1HD1      LEU  63   3.139  -0.040   1.050
  497   2HD1  LEU  63          2HD1      LEU  63   3.850   0.163   2.651
  498   3HD1  LEU  63          3HD1      LEU  63   2.100   0.052   2.471
  499   1HD2  LEU  63          1HD2      LEU  63   2.645  -2.614   4.180
  500   2HD2  LEU  63          2HD2      LEU  63   1.532  -3.088   2.895
  501   3HD2  LEU  63          3HD2      LEU  63   1.473  -1.453   3.557
  502    H    ASP  64           H        ASP  64   5.205  -3.145  -1.278
  503    HA   ASP  64           HA       ASP  64   7.675  -2.827   0.289
  504   1HB   ASP  64          2HB       ASP  64   7.391  -2.454  -2.684
  505   2HB   ASP  64          1HB       ASP  64   8.754  -3.117  -1.783
  506    H    MET  65           H        MET  65   7.797  -0.778   1.212
  507    HA   MET  65           HA       MET  65   6.460   1.520   0.035
  508   1HB   MET  65          2HB       MET  65   7.599   0.708   2.498
  509   2HB   MET  65          1HB       MET  65   8.454   2.174   2.015
  510   1HG   MET  65          2HG       MET  65   6.008   3.023   1.450
  511   2HG   MET  65          1HG       MET  65   5.546   1.790   2.622
  512   1HE   MET  65          1HE       MET  65   4.829   2.385   4.321
  513   2HE   MET  65          2HE       MET  65   5.059   3.867   5.247
  514   3HE   MET  65          3HE       MET  65   6.026   2.442   5.621
  515    H    GLU  66           H        GLU  66   7.286   2.894  -1.464
  516    HA   GLU  66           HA       GLU  66  10.173   2.761  -2.094
  517   1HB   GLU  66          2HB       GLU  66   7.676   2.983  -3.581
  518   2HB   GLU  66          1HB       GLU  66   8.842   4.216  -4.061
  519   1HG   GLU  66          2HG       GLU  66   9.722   2.592  -5.380
  520   2HG   GLU  66          1HG       GLU  66  10.430   1.981  -3.884
  521    H    ASP  67           H        ASP  67  11.389   4.493  -1.440
  522    HA   ASP  67           HA       ASP  67  10.032   6.915  -0.480
  523   1HB   ASP  67          2HB       ASP  67  12.507   5.421   0.015
  524   2HB   ASP  67          1HB       ASP  67  12.731   7.171   0.009
  525    H    HIS  68           H        HIS  68   9.594   8.215  -2.282
  526    HA   HIS  68           HA       HIS  68  11.982   9.200  -3.788
  527   1HB   HIS  68          2HB       HIS  68   9.320   8.226  -4.868
  528   2HB   HIS  68          1HB       HIS  68  10.489   9.123  -5.837
  529    HD1  HIS  68           1HD      HIS  68  12.643   7.903  -6.553
  530    HD2  HIS  68           2HD      HIS  68  10.142   5.566  -4.173
  531    HE1  HIS  68           1HE      HIS  68  13.542   5.539  -6.675
  532    H    ARG  69           H        ARG  69  10.851  10.537  -1.635
  533    HA   ARG  69           HA       ARG  69   8.730  12.333  -2.353
  534   1HB   ARG  69          2HB       ARG  69  10.704  13.189  -0.322
  535   2HB   ARG  69          1HB       ARG  69   8.957  13.033  -0.184
  536   1HG   ARG  69          2HG       ARG  69  11.042  10.855   0.043
  537   2HG   ARG  69          1HG       ARG  69   9.886  11.376   1.263
  538   1HD   ARG  69          2HD       ARG  69   9.477   9.571  -1.079
  539   2HD   ARG  69          1HD       ARG  69   8.713   9.539   0.519
  540    HE   ARG  69           HE       ARG  69   7.719  10.979  -1.795
  541   1HH1  ARG  69          1HH2      ARG  69   6.678   9.895   1.067
  542   2HH1  ARG  69          2HH2      ARG  69   5.867  11.335   1.587
  543   1HH2  ARG  69          1HH1      ARG  69   7.253  13.327  -0.888
  544   2HH2  ARG  69          2HH1      ARG  69   6.193  13.276   0.480
  545    H    ASP  70           H        ASP  70  12.255  12.544  -2.471
  546    HA   ASP  70           HA       ASP  70  12.416  15.327  -3.177
  547   1HB   ASP  70          2HB       ASP  70  14.212  12.926  -3.649
  548   2HB   ASP  70          1HB       ASP  70  14.708  14.593  -3.946
  549    H    GLU  71           H        GLU  71  11.142  12.695  -4.883
  550    HA   GLU  71           HA       GLU  71  11.138  14.275  -7.395
  551   1HB   GLU  71          2HB       GLU  71  12.436  12.777  -8.592
  552   2HB   GLU  71          1HB       GLU  71  13.160  12.577  -6.996
  553   1HG   GLU  71          2HG       GLU  71  11.283  10.751  -6.696
  554   2HG   GLU  71          1HG       GLU  71  11.281  10.753  -8.460
  555    H    ASP  72           H        ASP  72   9.044  13.422  -5.495
  556    HA   ASP  72           HA       ASP  72   7.560  11.445  -7.124
  557   1HB   ASP  72          2HB       ASP  72   7.868  12.064  -4.274
  558   2HB   ASP  72          1HB       ASP  72   6.196  11.792  -4.758
  559    H    PHE  73           H        PHE  73   5.036  11.882  -6.795
  560    HA   PHE  73           HA       PHE  73   4.252  14.120  -8.279
  561   1HB   PHE  73          2HB       PHE  73   3.116  11.923  -6.962
  562   2HB   PHE  73          1HB       PHE  73   2.296  13.319  -6.267
  563    HD1  PHE  73           1HD      PHE  73   1.957  10.973  -8.737
  564    HD2  PHE  73           2HD      PHE  73   1.930  15.243  -8.265
  565    HE1  PHE  73           1HE      PHE  73   0.595  11.195 -10.798
  566    HE2  PHE  73           2HE      PHE  73   0.568  15.463 -10.325
  567    HZ   PHE  73           HZ       PHE  73  -0.099  13.440 -11.592
  568    H    VAL  74           H        VAL  74   4.763  16.216  -7.709
  569    HA   VAL  74           HA       VAL  74   5.021  17.104  -4.953
  570    HB   VAL  74           HB       VAL  74   4.678  18.795  -7.440
  571   1HG1  VAL  74          1HG1      VAL  74   5.576  19.194  -4.687
  572   2HG1  VAL  74          2HG1      VAL  74   5.135  20.390  -5.904
  573   3HG1  VAL  74          3HG1      VAL  74   6.771  19.736  -5.864
  574   1HG2  VAL  74          1HG2      VAL  74   7.364  18.453  -7.254
  575   2HG2  VAL  74          2HG2      VAL  74   6.338  17.471  -8.300
  576   3HG2  VAL  74          3HG2      VAL  74   6.816  16.865  -6.714
  577    H    LYS  75           H        LYS  75   3.721  19.342  -4.526
  578    HA   LYS  75           HA       LYS  75   1.125  18.836  -3.773
  579   1HB   LYS  75          2HB       LYS  75   2.718  21.201  -4.557
  580   2HB   LYS  75          1HB       LYS  75   0.972  21.451  -4.572
  581   1HG   LYS  75          2HG       LYS  75   0.799  21.280  -2.308
  582   2HG   LYS  75          1HG       LYS  75   1.995  19.986  -2.218
  583   1HD   LYS  75          2HD       LYS  75   3.535  21.475  -1.539
  584   2HD   LYS  75          1HD       LYS  75   3.356  22.338  -3.067
  585   1HE   LYS  75          2HE       LYS  75   1.347  22.757  -0.854
  586   2HE   LYS  75          1HE       LYS  75   2.877  23.658  -0.867
  587   1HZ   LYS  75          1HZ       LYS  75   0.918  23.495  -3.099
  588   2HZ   LYS  75          2HZ       LYS  75   2.420  24.287  -3.174
  589   3HZ   LYS  75          3HZ       LYS  75   1.209  24.853  -2.126
  590    HA   PRO  76           HA       PRO  76  -0.638  20.214  -7.999
  591   1HB   PRO  76          2HB       PRO  76   1.124  20.720 -10.030
  592   2HB   PRO  76          1HB       PRO  76   0.600  21.961  -8.876
  593   1HG   PRO  76          2HG       PRO  76   3.127  20.397  -8.952
  594   2HG   PRO  76          1HG       PRO  76   2.861  22.092  -8.517
  595   1HD   PRO  76          2HD       PRO  76   3.237  20.095  -6.689
  596   2HD   PRO  76          1HD       PRO  76   2.331  21.587  -6.352