*HEADER    BLOOD CLOTTING, HYDROLASE               19-AUG-03   1Q7I              
*TITLE     STRUCTURAL ANALYSIS OF INTEGRIN ALPHA IIB BETA 3-                     
*TITLE    2 DISINTEGRIN WITH THE AKGDWN MOTIF                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEMORRHAGIC PROTEIN-RHODOSTOMIN;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DISINTEGRIN RHODOSTOMIN;                                   
*COMPND   5 SYNONYM: DISINTEGRIN KISTRIN, PLATELET AGGREGATION                   
*COMPND   6 ACTIVATION INHIBITOR;                                                
*COMPND   7 EC: 3.4.24.-;                                                        
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA;                        
*SOURCE   3 ORGANISM_COMMON: MALAYAN PIT VIPER;                                  
*SOURCE   4 GENE: RHOD;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: FUNGI;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: X-33;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PPICZALPHAA                               
*KEYWDS    DISINTEGRIN, INTEGRIN, NMR, RHODOSTOMIN                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    W.J.CHUANG, C.Y.CHEN, J.H.SHIU, Y.C.CHEN                              
*REVDAT   1   21-SEP-04 1Q7I    0                                                

assign ( resid 2 and name hn ) ( resid 3 and name hn ) 2.50 0.00 3.50
assign ( resid 3 and name hn ) ( resid 4 and name hn ) 1.80 0.00 3.20
assign ( resid 4 and name hn ) ( resid 5 and name hn ) 1.80 0.00 3.20
assign ( resid 5 and name hn ) ( resid 6 and name hn ) 1.80 0.00 3.20
assign ( resid 6 and name hn ) ( resid 7 and name hn ) 2.50 0.00 3.50
assign ( resid 7 and name hn ) ( resid 8 and name hn ) 1.80 0.00 3.20
assign ( resid 10 and name hn ) ( resid 11 and name hn ) 1.80 0.00 1.00
assign ( resid 13 and name hn ) ( resid 14 and name hn ) 1.80 0.00 3.20
assign ( resid 14 and name hn ) ( resid 15 and name hn ) 2.50 0.00 3.50
assign ( resid 15 and name hn ) ( resid 16 and name hn ) 1.80 0.00 3.20
assign ( resid 16 and name hn ) ( resid 17 and name hn ) 1.80 0.00 3.20
assign ( resid 17 and name hn ) ( resid 18 and name hn ) 1.80 0.00 1.00
assign ( resid 18 and name hn ) ( resid 19 and name hn ) 1.80 0.00 1.00
assign ( resid 19 and name hn ) ( resid 20 and name hn ) 1.80 0.00 3.20
assign ( resid 20 and name hn ) ( resid 21 and name hn ) 2.50 0.00 3.50
assign ( resid 21 and name hn ) ( resid 22 and name hn ) 2.50 0.00 3.50
assign ( resid 24 and name hn ) ( resid 25 and name hn ) 1.80 0.00 3.20
assign ( resid 25 and name hn ) ( resid 26 and name hn ) 1.80 0.00 3.20
assign ( resid 26 and name hn ) ( resid 27 and name hn ) 1.80 0.00 1.00
assign ( resid 27 and name hn ) ( resid 28 and name hn ) 2.50 0.00 3.50
assign ( resid 28 and name hn ) ( resid 29 and name hn ) 1.80 0.00 1.00
assign ( resid 29 and name hn ) ( resid 30 and name hn ) 2.50 0.00 3.50
assign ( resid 30 and name hn ) ( resid 31 and name hn ) 2.50 0.00 3.50
assign ( resid 31 and name hn ) ( resid 32 and name hn ) 1.80 0.00 3.20
assign ( resid 32 and name hn ) ( resid 33 and name hn ) 1.80 0.00 3.20
assign ( resid 33 and name hn ) ( resid 34 and name hn ) 2.50 0.00 3.50
assign ( resid 34 and name hn ) ( resid 35 and name hn ) 2.50 0.00 3.50
assign ( resid 35 and name hn ) ( resid 36 and name hn ) 1.80 0.00 3.20
assign ( resid 36 and name hn ) ( resid 37 and name hn ) 1.80 0.00 3.20
assign ( resid 37 and name hn ) ( resid 38 and name hn ) 2.50 0.00 3.50
assign ( resid 38 and name hn ) ( resid 39 and name hn ) 2.50 0.00 3.50
assign ( resid 39 and name hn ) ( resid 40 and name hn ) 2.50 0.00 3.50
assign ( resid 42 and name hn ) ( resid 43 and name hn ) 1.80 0.00 3.20
assign ( resid 43 and name hn ) ( resid 44 and name hn ) 2.50 0.00 3.50
assign ( resid 44 and name hn ) ( resid 45 and name hn ) 2.50 0.00 3.50
assign ( resid 45 and name hn ) ( resid 46 and name hn ) 1.80 0.00 3.20
assign ( resid 46 and name hn ) ( resid 47 and name hn ) 1.80 0.00 3.20
assign ( resid 47 and name hn ) ( resid 48 and name hn ) 2.50 0.00 3.50
assign ( resid 48 and name hn ) ( resid 49 and name hn ) 2.50 0.00 3.50
assign ( resid 50 and name hn ) ( resid 51 and name hn ) 2.50 0.00 3.50
assign ( resid 51 and name hn ) ( resid 52 and name hn ) 2.50 0.00 3.50
assign ( resid 52 and name hn ) ( resid 53 and name hn ) 1.80 0.00 3.20
assign ( resid 53 and name hn ) ( resid 54 and name hn ) 1.80 0.00 3.20
assign ( resid 54 and name hn ) ( resid 55 and name hn ) 1.80 0.00 3.20
assign ( resid 56 and name hn ) ( resid 57 and name hn ) 2.50 0.00 3.50
assign ( resid 57 and name hn ) ( resid 58 and name hn ) 2.50 0.00 3.50
assign ( resid 58 and name hn ) ( resid 59 and name hn ) 1.80 0.00 3.20
assign ( resid 59 and name hn ) ( resid 60 and name hn ) 1.80 0.00 3.20
assign ( resid 60 and name hn ) ( resid 61 and name hn ) 1.80 0.00 1.00
assign ( resid 61 and name hn ) ( resid 62 and name hn ) 2.50 0.00 3.50
assign ( resid 62 and name hn ) ( resid 63 and name hn ) 1.80 0.00 3.20
assign ( resid 63 and name hn ) ( resid 64 and name hn ) 2.50 0.00 3.50
assign ( resid 66 and name hn ) ( resid 67 and name hn ) 1.80 0.00 3.20
assign ( resid 67 and name hn ) ( resid 68 and name hn ) 1.80 0.00 3.20
assign ( resid 3 and name hn ) ( resid 2 and name ha ) 1.80 0.00 1.50
assign ( resid 4 and name hn ) ( resid 3 and name ha ) 1.80 0.00 1.00
assign ( resid 5 and name hn ) ( resid 4 and name ha ) 1.80 0.00 1.00 
assign ( resid 7 and name hn ) ( resid 6 and name ha ) 1.80 0.00 3.20
assign ( resid 8 and name hn ) ( resid 7 and name ha ) 1.80 0.00 3.20
assign ( resid 10 and name hn ) ( resid 9 and name ha ) 1.80 0.00 3.20
assign ( resid 11 and name hn ) ( resid 10 and name ha ) 1.80 0.00 3.20
assign ( resid 13 and name hn ) ( resid 12 and name ha ) 1.80 0.00 3.20
assign ( resid 14 and name hn ) ( resid 13 and name ha ) 1.80 0.00 3.20
assign ( resid 15 and name hn ) ( resid 14 and name ha ) 1.80 0.00 1.00
assign ( resid 16 and name hn ) ( resid 15 and name ha ) 1.80 0.00 1.00
assign ( resid 17 and name hn ) ( resid 16 and name ha ) 1.80 0.00 3.20
assign ( resid 20 and name hn ) ( resid 19 and name ha ) 1.80 0.00 3.20
assign ( resid 21 and name hn ) ( resid 20 and name ha ) 1.80 0.00 1.00 
assign ( resid 22 and name hn ) ( resid 21 and name ha ) 1.80 0.00 3.20
assign ( resid 24 and name hn ) ( resid 23 and name ha ) 1.80 0.00 1.00
assign ( resid 26 and name hn ) ( resid 25 and name ha ) 1.80 0.00 1.00
assign ( resid 27 and name hn ) ( resid 26 and name ha ) 1.80 0.00 3.20
assign ( resid 28 and name hn ) ( resid 27 and name ha ) 1.80 0.00 1.00
assign ( resid 30 and name hn ) ( resid 29 and name ha ) 1.80 0.00 1.00
assign ( resid 32 and name hn ) ( resid 31 and name ha ) 1.80 0.00 3.20
assign ( resid 33 and name hn ) ( resid 32 and name ha ) 1.80 0.00 3.20
assign ( resid 34 and name hn ) ( resid 33 and name ha ) 1.80 0.00 1.00
assign ( resid 35 and name hn ) ( resid 34 and name ha ) 1.80 0.00 1.00 
assign ( resid 36 and name hn ) ( resid 35 and name ha ) 1.80 0.00 3.20
assign ( resid 37 and name hn ) ( resid 36 and name ha ) 1.80 0.00 3.20
assign ( resid 38 and name hn ) ( resid 37 and name ha ) 1.80 0.00 1.00
assign ( resid 39 and name hn ) ( resid 38 and name ha ) 1.80 0.00 1.00
assign ( resid 40 and name hn ) ( resid 39 and name ha ) 1.80 0.00 1.00
assign ( resid 41 and name hn ) ( resid 40 and name ha ) 1.80 0.00 3.20
assign ( resid 42 and name hn ) ( resid 41 and name ha ) 1.80 0.00 1.00
!assign ( resid 44 and name hn ) ( resid 43 and name ha ) 1.80 0.00 1.00
assign ( resid 44 and name hn ) ( resid 43 and name ha ) 1.80 0.00 3.20
assign ( resid 45 and name hn ) ( resid 44 and name ha ) 1.80 0.00 1.00
assign ( resid 46 and name hn ) ( resid 45 and name ha ) 1.80 0.00 3.20
assign ( resid 47 and name hn ) ( resid 46 and name ha ) 1.80 0.00 3.20
assign ( resid 48 and name hn ) ( resid 47 and name ha ) 1.80 0.00 1.00
assign ( resid 49 and name hn ) ( resid 48 and name ha ) 1.80 0.00 1.50
assign ( resid 50 and name hn ) ( resid 49 and name ha ) 1.80 0.00 1.50
assign ( resid 52 and name hn ) ( resid 51 and name ha ) 1.80 0.00 1.00
assign ( resid 53 and name hn ) ( resid 52 and name ha ) 1.80 0.00 1.00
assign ( resid 54 and name hn ) ( resid 53 and name ha ) 1.80 0.00 1.00
assign ( resid 55 and name hn ) ( resid 54 and name ha ) 1.80 0.00 1.00
assign ( resid 56 and name hn ) ( resid 55 and name ha ) 1.80 0.00 1.00
assign ( resid 57 and name hn ) ( resid 56 and name ha ) 1.80 0.00 1.00
assign ( resid 58 and name hn ) ( resid 57 and name ha ) 1.80 0.00 1.00
assign ( resid 61 and name hn ) ( resid 60 and name ha ) 1.80 0.00 3.20
assign ( resid 62 and name hn ) ( resid 61 and name ha ) 1.80 0.00 3.20
assign ( resid 64 and name hn ) ( resid 63 and name ha ) 1.80 0.00 1.00
!assign ( resid 68 and name hn ) ( resid 67 and name ha ) 1.80 0.00 1.00
assign ( resid 68 and name hn ) ( resid 67 and name ha ) 1.80 0.00 3.20
assign ( resid 25 and name hn ) ( resid 24 and name ha2 ) 1.80 0.00 3.20
assign ( resid 29 and name hn ) ( resid 28 and name ha2 ) 1.80 0.00 3.20
assign ( resid 31 and name hn ) ( resid 30 and name ha2 ) 1.80 0.00 1.00
assign ( resid 43 and name hn ) ( resid 42 and name ha2 ) 1.80 0.00 3.20
assign ( resid 25 and name hn ) ( resid 24 and name ha1 ) 1.80 0.00 3.20
assign ( resid 29 and name hn ) ( resid 28 and name ha1 ) 1.80 0.00 3.20
assign ( resid 31 and name hn ) ( resid 30 and name ha1 ) 1.80 0.00 1.00
assign ( resid 2 and name hn ) ( resid 1 and name ha* ) 1.80 0.00 1.00
assign ( resid 51 and name hn ) ( resid 50 and name ha1 ) 1.80 0.00 2.00
assign ( resid 51 and name hn ) ( resid 50 and name ha2 ) 1.80 0.00 2.00
assign ( resid 43 and name hn ) ( resid 42 and name ha1 ) 1.80 0.00 3.20

!remote (i-i+5~~~~~~~~)

 assign ( resid 5 and name hn ) ( resid 20 and name hn ) 2.50 0.00 3.50
 assign ( resid 5 and name hn ) ( resid 21 and name hn ) 2.50 0.00 3.50 
 assign ( resid 6 and name hn ) ( resid 21 and name hn ) 2.50 0.00 3.50
 assign ( resid 15 and name hn ) ( resid 22 and name hn ) 1.80 0.00 3.20
 assign ( resid 20 and name hn ) ( resid 15 and name hn ) 2.50 0.00 3.50
!assign ( resid 22 and name hn ) ( resid 13 and name hn ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 14 and name hn ) 2.50 0.00 3.50
 assign ( resid 26 and name hn ) ( resid 38 and name hn ) 2.50 0.00 3.50
 assign ( resid 27 and name hn ) ( resid 36 and name hn ) 2.50 0.00 3.50
 assign ( resid 27 and name hn ) ( resid 38 and name hn ) 2.50 0.00 3.50
 assign ( resid 33 and name hn ) ( resid 39 and name hn ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 39 and name hn ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 26 and name hn ) 2.50 0.00 3.50
!assign ( resid 41 and name hn ) ( resid 59 and name hn ) 1.80 0.00 1.00
 assign ( resid 42 and name hn ) ( resid 57 and name hn ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 56 and name hn ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 57 and name hn ) 1.80 0.00 3.20
!assign ( resid 45 and name hn ) ( resid 56 and name hn ) 2.50 0.00 3.50
 assign ( resid 48 and name hn ) ( resid 55 and name hn ) 2.50 0.00 3.50
 assign ( resid 48 and name hn ) ( resid 54 and name ha ) 1.80 0.00 3.20
 assign ( resid 48 and name hn ) ( resid 54 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 48 and name hn ) ( resid 54 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 53 and name hb1 ) ( resid 48 and name hb* ) 2.50 0.00 4.50
 assign ( resid 53 and name hb2 ) ( resid 48 and name hb* ) 2.50 0.00 4.50
 assign ( resid 55 and name hn ) ( resid 46 and name hn ) 2.50 0.00 3.50
 assign ( resid 7 and name hn ) ( resid 29 and name hg2 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 26 and name hg2 ) 1.80 0.00 3.20 
 assign ( resid 38 and name hn ) ( resid 26 and name hg1 ) 1.80 0.00 3.20
 assign ( resid 58 and name hn ) ( resid 65 and name hg* ) 2.50 0.00 4.50
 assign ( resid 13 and name hn ) ( resid 25 and name hb* ) 2.50 0.00 4.50 
 assign ( resid 27 and name hn ) ( resid 21 and name hg ) 1.80 0.00 3.20  
 assign ( resid 28 and name hn ) ( resid 21 and name hg ) 2.50 0.00 3.50
 assign ( resid 29 and name hn ) ( resid 21 and name hg ) 2.50 0.00 3.50  
!assign ( resid 5 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50 
 assign ( resid 6 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50
 assign ( resid 13 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50
 assign ( resid 14 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50
 assign ( resid 15 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50
 assign ( resid 27 and name hn ) ( resid 21 and name hd2* ) 1.80 0.00 4.20
 assign ( resid 29 and name hn ) ( resid 21 and name hd2* ) 1.80 0.00 4.20
 assign ( resid 44 and name hn ) ( resid 56 and name hd2 ) 2.50 0.00 3.50
!assign ( resid 5 and name hn ) ( resid 21 and name hd1* ) 2.50 0.00 4.50
 assign ( resid 27 and name hn ) ( resid 21 and name hd1* ) 1.80 0.00 4.20
 assign ( resid 28 and name hn ) ( resid 21 and name hd1* ) 1.80 0.00 4.20
 assign ( resid 29 and name hn ) ( resid 21 and name hd1* ) 2.50 0.00 4.50
 assign ( resid 58 and name hn ) ( resid 65 and name hd1 ) 2.50 0.00 3.50
 assign ( resid 46 and name hn ) ( resid 31 and name hd* ) 2.50 0.00 4.50
!assign ( resid 54 and name hn ) ( resid 44 and name hd* ) 2.50 0.00 4.50
 assign ( resid 62 and name hn ) ( resid 27 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 62 and name hn ) ( resid 27 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 64 and name hn ) ( resid 31 and name hd* ) 1.80 0.00 5.60
 assign ( resid 5 and name hn ) ( resid 19 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 5 and name hn ) ( resid 20 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 6 and name hn ) ( resid 19 and name hb2 ) 2.50 0.00 3.50 
 assign ( resid 22 and name hn ) ( resid 14 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 25 and name hn ) ( resid 36 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 26 and name hn ) ( resid 36 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 26 and name hn ) ( resid 38 and name hb2 ) 2.50 0.00 3.50  
 assign ( resid 28 and name hn ) ( resid 13 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 45 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 63 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 64 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 64 and name hb2 ) 2.50 0.00 3.50
!assign ( resid 37 and name hn ) ( resid 26 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 39 and name hn ) ( resid 32 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 39 and name hn ) ( resid 33 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 41 and name hn ) ( resid 57 and name hb2 ) 2.50 0.00 3.50 
 assign ( resid 42 and name hn ) ( resid 56 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 43 and name hn ) ( resid 57 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 45 and name hn ) ( resid 56 and name hb* ) 1.80 0.00 4.20 
 assign ( resid 61 and name hn ) ( resid 38 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 64 and name hn ) ( resid 31 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 67 and name hn ) ( resid 66 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 5 and name hn ) ( resid 19 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 5 and name hn ) ( resid 20 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 6 and name hn ) ( resid 19 and name hb1 ) 2.50 0.00 3.50  
 assign ( resid 7 and name hn ) ( resid 29 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 14 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 25 and name hn ) ( resid 36 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 26 and name hn ) ( resid 36 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 27 and name hn ) ( resid 36 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 31 and name hn ) ( resid 45 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 63 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 64 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 32 and name hn ) ( resid 64 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 33 and name hn ) ( resid 62 and name hb* ) 1.80 0.00 4.20
 assign ( resid 37 and name hn ) ( resid 26 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 57 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 45 and name hn ) ( resid 56 and name hg* ) 1.80 0.00 4.20
!assign ( resid 58 and name hn ) ( resid 65 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 61 and name hn ) ( resid 38 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 64 and name hn ) ( resid 31 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 15 and name hn ) ( resid 21 and name hb* ) 2.50 0.00 4.50
 assign ( resid 20 and name hn ) ( resid 5 and name hb* ) 2.50 0.00 4.50
 assign ( resid 20 and name hn ) ( resid 14 and name hb* ) 2.50 0.00 4.50
 assign ( resid 20 and name hn ) ( resid 15 and name hb* ) 1.80 0.00 4.20
 assign ( resid 21 and name hn ) ( resid 5 and name hb* ) 1.80 0.00 4.20
 assign ( resid 27 and name hn ) ( resid 21 and name hb* ) 2.50 0.00 4.50
!assign ( resid 27 and name hn ) ( resid 62 and name hb* ) 2.50 0.00 4.50
 assign ( resid 28 and name hn ) ( resid 21 and name hb* ) 2.50 0.00 4.50
 assign ( resid 28 and name hn ) ( resid 62 and name hb* ) 1.80 0.00 4.20
 assign ( resid 29 and name hn ) ( resid 62 and name hb* ) 1.80 0.00 4.20
 assign ( resid 46 and name hn ) ( resid 54 and name hb1 ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 54 and name hb2 ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 55 and name hb2 ) 1.80 0.00 4.20
 assign ( resid 59 and name hn ) ( resid 41 and name hb* ) 1.80 0.00 4.20
 assign ( resid 60 and name hn ) ( resid 41 and name hb* ) 2.50 0.00 4.50
!assign ( resid 68 and name hn ) ( resid 54 and name hb* ) 2.50 0.00 4.50
 assign ( resid 13 and name hn ) ( resid 28 and name ha2 ) 2.50 0.00 3.50 
!assign ( resid 33 and name hn ) ( resid 28 and name ha* ) 2.50 0.00 4.50
 assign ( resid 57 and name hn ) ( resid 42 and name ha* ) 2.50 0.00 4.50
 assign ( resid 5 and name hn ) ( resid 19 and name ha ) 2.50 0.00 3.50  
 assign ( resid 6 and name hn ) ( resid 19 and name ha ) 2.50 0.00 4.50  
 assign ( resid 14 and name hn ) ( resid 21 and name ha ) 2.50 0.00 3.50 
!assign ( resid 20 and name hn ) ( resid 5 and name ha ) 1.80 0.0 3.20
 assign ( resid 20 and name hn ) ( resid 14 and name ha ) 2.50 0.00 3.50
 assign ( resid 21 and name hn ) ( resid 14 and name ha ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 14 and name ha ) 1.80 0.00 1.00 
 assign ( resid 26 and name hn ) ( resid 37 and name ha ) 1.80 0.00 3.20
 assign ( resid 27 and name hn ) ( resid 37 and name ha ) 1.80 0.00 3.20
!assign ( resid 28 and name hn ) ( resid 21 and name ha ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 64 and name ha ) 2.50 0.00 3.50
 assign ( resid 32 and name hn ) ( resid 63 and name ha ) 1.80 0.00 3.20
 assign ( resid 34 and name hn ) ( resid 39 and name ha ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 25 and name ha ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 26 and name ha ) 2.50 0.00 3.50 
!assign ( resid 38 and name hn ) ( resid 27 and name ha ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 33 and name ha ) 2.50 0.00 3.50
 assign ( resid 39 and name hn ) ( resid 33 and name ha ) 1.80 0.00 3.20
 assign ( resid 43 and name hn ) ( resid 57 and name ha ) 1.80 0.00 3.20
 assign ( resid 44 and name hn ) ( resid 56 and name ha ) 2.50 0.00 3.50
 assign ( resid 45 and name hn ) ( resid 56 and name ha ) 1.80 0.00 3.20
 assign ( resid 46 and name hn ) ( resid 54 and name ha ) 2.50 0.00 3.50
 assign ( resid 46 and name hn ) ( resid 55 and name ha ) 2.50 0.00 3.50 
 assign ( resid 46 and name hn ) ( resid 56 and name ha ) 2.50 0.00 3.50
 assign ( resid 55 and name hn ) ( resid 44 and name ha ) 2.50 0.00 3.50
 assign ( resid 55 and name hn ) ( resid 46 and name hb* ) 2.50 0.00 4.50
 assign ( resid 55 and name hn ) ( resid 48 and name hb* ) 2.50 0.00 3.50
 assign ( resid 55 and name hn ) ( resid 44 and name hg1* ) 2.50 0.00 4.00 
 assign ( resid 55 and name hn ) ( resid 44 and name hd1* ) 2.50 0.00 4.00
 assign ( resid 55 and name hn ) ( resid 44 and name hg* ) 2.50 0.00 4.00
 assign ( resid 53 and name hn ) ( resid 48 and name hb* ) 2.50 0.00 4.00
 assign ( resid 56 and name hn ) ( resid 44 and name ha ) 2.50 0.00 3.50
 assign ( resid 57 and name hn ) ( resid 41 and name ha ) 2.50 0.00 3.50
 assign ( resid 57 and name hn ) ( resid 44 and name ha ) 1.80 0.00 3.20
 assign ( resid 58 and name hn ) ( resid 41 and name ha ) 2.50 0.00 3.50
 assign ( resid 58 and name hn ) ( resid 64 and name ha ) 2.50 0.00 3.50
 assign ( resid 60 and name hn ) ( resid 41 and name ha ) 2.50 0.00 3.50
 assign ( resid 64 and name hn ) ( resid 31 and name ha ) 2.50 0.00 3.50
!assign ( resid 64 and name hn ) ( resid 41 and name ha ) 2.50 0.00 3.50
!assign ( resid 67 and name hn ) ( resid 55 and name ha ) 2.50 0.00 3.50
 assign ( resid 28 and name hn ) ( resid 21 and name hd2* ) 1.80 0.00 4.20
 assign ( resid 3 and name ha ) ( resid 20 and name hd* ) 1.80 0 4.20
 assign ( resid 3 and name ha ) ( resid 20 and name hg* ) 1.80 0 2.00 
 assign ( resid 4 and name ha ) ( resid 19 and name ha ) 2.50 0 3.50
 assign ( resid 4 and name ha ) ( resid 19 and name hb1 ) 1.80 0 3.20
 assign ( resid 4 and name ha ) ( resid 19 and name hb2 ) 1.80 0 3.20
 assign ( resid 4 and name ha ) ( resid 20 and name hb1 ) 2.50 0 4.50
 assign ( resid 4 and name ha ) ( resid 20 and name hb2 ) 1.80 0 3.20
 assign ( resid 4 and name ha ) ( resid 20 and name hg* ) 1.80 0 3.20 
 assign ( resid 4 and name hb1 ) ( resid 19 and name hb2 ) 1.80 0 3.20
 assign ( resid 5 and name ha ) ( resid 20 and name hb1 ) 2.50 0 3.50 
 assign ( resid 5 and name ha ) ( resid 21 and name hd2* ) 2.5 0 4.5
!assign ( resid 5 and name ha ) ( resid 21 and name hd1* ) 2.5 0 4.5
 assign ( resid 5 and name hb* ) ( resid 20 and name hb1 ) 1.80 0 2.00 
 assign ( resid 5 and name hb* ) ( resid 21 and name hg ) 2.50 0 4.50
 assign ( resid 5 and name hb* ) ( resid 21 and name hd1* ) 1.80 0 5.20
 assign ( resid 5 and name hb* ) ( resid 21 and name hd2* ) 1.80 0 5.20
 assign ( resid 6 and name ha ) ( resid 28 and name ha1 ) 2.50 0 3.50
 assign ( resid 6 and name ha ) ( resid 28 and name ha2 ) 2.50 0 4.50
 assign ( resid 6 and name ha ) ( resid 14 and name hb* ) 2.50 0 4.50
 assign ( resid 6 and name ha ) ( resid 29 and name hb1 ) 1.80 0 3.20
 assign ( resid 6 and name ha ) ( resid 29 and name hg* ) 1.80 0 4.20
 assign ( resid 6 and name hb2 ) ( resid 21 and name hd2* ) 2.50 0 4.50
!assign ( resid 7 and name ha ) ( resid 19 and name hb2 ) 2.50 0 3.50
 assign ( resid 9 and name ha ) ( resid 16 and name ha ) 1.80 0 3.20  
 assign ( resid 9 and name ha ) ( resid 14 and name hb* ) 2.50 0 4.50 
 assign ( resid 9 and name ha ) ( resid 16 and name hb* ) 1.80 0 4.20 
 assign ( resid 9 and name hb1 ) ( resid 16 and name hb* ) 1.80 0 4.20
 assign ( resid 13 and name ha ) ( resid 36 and name hb1 ) 2.50 0 3.50
 assign ( resid 13 and name ha ) ( resid 21 and name hg ) 2.5 0 3.5
 assign ( resid 13 and name ha ) ( resid 21 and name hb* ) 2.50 0 4.50
 assign ( resid 13 and name ha ) ( resid 21 and name hd1* ) 2.50 0 4.50 
 assign ( resid 13 and name ha ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 13 and name hb1 ) ( resid 29 and name hb1 ) 2.50 0 3.50 
!assign ( resid 13 and name hb1 ) ( resid 29 and name hb2 ) 2.50 0 3.50
 assign ( resid 13 and name hb1 ) ( resid 29 and name hg* ) 2.50 0 4.50
 assign ( resid 13 and name hb1 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 13 and name hb1 ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 13 and name hb2 ) ( resid 25 and name hb* ) 1.80 0 4.20
 assign ( resid 14 and name ha ) ( resid 22 and name ha ) 1.80 0 3.20  
 assign ( resid 14 and name ha ) ( resid 21 and name ha ) 1.80 0 3.20
 assign ( resid 14 and name ha ) ( resid 6 and name hb1 ) 2.50 0 3.50
 assign ( resid 14 and name ha ) ( resid 22 and name hb* ) 1.80 0 4.20
 assign ( resid 14 and name ha ) ( resid 21 and name hg ) 1.80 0 3.20
 assign ( resid 14 and name ha ) ( resid 21 and name hb* ) 1.80 0 4.20
 assign ( resid 14 and name ha ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 14 and name ha ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 14 and name hb* ) ( resid 21 and name hg ) 2.50 0 4.50
 assign ( resid 14 and name hb* ) ( resid 21 and name hd2* ) 2.50 0 5.50
 assign ( resid 15 and name hb2 ) ( resid 20 and name hb* ) 1.80 0 4.20
 assign ( resid 15 and name hb2 ) ( resid 20 and name hg* ) 2.50 0 4.50
 assign ( resid 15 and name hb2 ) ( resid 21 and name hb* ) 2.50 0 4.50
 assign ( resid 16 and name ha ) ( resid 9 and name hb1 ) 1.80 0 3.20
 assign ( resid 19 and name ha ) ( resid 4 and name hb1 ) 1.80 0 3.20
 assign ( resid 19 and name hb1 ) ( resid 4 and name hb1 ) 1.80 0 3.20
!assign ( resid 19 and name ha ) ( resid 14 and name hb* ) 1.80 0 4.20
 assign ( resid 19 and name hb2 ) ( resid 4 and name hb2 ) 1.80 0 3.20
 assign ( resid 20 and name ha ) ( resid 4 and name hb1 ) 2.50 0 4.50 
 assign ( resid 20 and name ha ) ( resid 5 and name hb* ) 1.80 0 3.20 
 assign ( resid 21 and name ha ) ( resid 15 and name hb1 ) 2.50 0 3.50
 assign ( resid 21 and name ha ) ( resid 15 and name hb2 ) 2.50 0 3.50 
 assign ( resid 21 and name ha ) ( resid 14 and name hb* ) 2.50 0 4.50
 assign ( resid 25 and name ha ) ( resid 36 and name hb1 ) 1.80 0 3.20
 assign ( resid 25 and name ha ) ( resid 36 and name hb2 ) 1.80 0 3.20 
 assign ( resid 25 and name ha ) ( resid 37 and name he* ) 1.80 0 4.20 
!assign ( resid 26 and name ha ) ( resid 21 and name hb* ) 2.50 0 4.50 
 assign ( resid 26 and name ha ) ( resid 21 and name hg ) 2.50 0 3.50
 assign ( resid 27 and name ha ) ( resid 21 and name ha ) 2.50 0 3.50
 assign ( resid 27 and name ha ) ( resid 33 and name hb1 ) 2.50 0 3.50
!assign ( resid 27 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50
 assign ( resid 27 and name ha ) ( resid 62 and name hb* ) 1.80 0 4.20
 assign ( resid 27 and name ha ) ( resid 21 and name hb* ) 1.80 0 4.20
 assign ( resid 27 and name ha ) ( resid 21 and name hd1* ) 1.80 0 3.20  
 assign ( resid 27 and name ha ) ( resid 21 and name hd2* ) 1.80 0 2.00  
 assign ( resid 27 and name hb1 ) ( resid 33 and name hb2 ) 1.80 0 3.20
 assign ( resid 27 and name hb1 ) ( resid 62 and name hb* ) 1.80 0 2.00
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 27 and name hb2 ) ( resid 62 and name hb* ) 1.80 0 2.00
 assign ( resid 27 and name hb2 ) ( resid 21 and name hd1* ) 1.80 0 4.20 
 assign ( resid 27 and name hb2 ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 28 and name ha1 ) ( resid 13 and name hb2 ) 1.80 0 3.20
 assign ( resid 28 and name ha1 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 28 and name ha1 ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 28 and name ha2 ) ( resid 13 and name hb1 ) 1.80 0 3.20
 assign ( resid 28 and name ha2 ) ( resid 5 and name hb* ) 2.50 0 4.50  
 assign ( resid 28 and name ha2 ) ( resid 13 and name hb2 ) 1.80 0 3.20
 assign ( resid 28 and name ha2 ) ( resid 21 and name hg ) 2.50 0 3.50
 assign ( resid 28 and name ha2 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 28 and name ha2 ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 30 and name ha1 ) ( resid 62 and name hb* ) 1.80 0 2.00
 assign ( resid 30 and name ha2 ) ( resid 62 and name hb* ) 1.80 0 4.20
 assign ( resid 31 and name ha ) ( resid 64 and name hb2 ) 2.50 0 3.50
!assign ( resid 31 and name ha ) ( resid 47 and name hd* ) 2.50 0 4.50
 assign ( resid 32 and name ha ) ( resid 62 and name ha ) 1.80 0 3.20
 assign ( resid 32 and name ha ) ( resid 39 and name hb1 ) 1.80 0 3.20
 assign ( resid 32 and name ha ) ( resid 39 and name hb2 ) 1.80 0 3.20
 assign ( resid 32 and name ha ) ( resid 43 and name he* ) 2.50 0 4.50
 assign ( resid 32 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50
!assign ( resid 32 and name ha ) ( resid 60 and name hg* ) 2.50 0 4.50
 assign ( resid 32 and name hb2 ) ( resid 62 and name hb* ) 1.80 0 4.20 
 assign ( resid 32 and name hb2 ) ( resid 43 and name hg1 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 38 and name ha ) 1.80 0 3.20
 assign ( resid 33 and name ha ) ( resid 62 and name ha ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 39 and name ha ) 2.50 0 3.50 
 assign ( resid 33 and name ha ) ( resid 27 and name hb1 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 27 and name hb2 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 39 and name hb2 ) 2.50 0 3.50
!assign ( resid 33 and name ha ) ( resid 57 and name hb1 ) 2.50 0 3.50
!assign ( resid 33 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50
 assign ( resid 36 and name hb1 ) ( resid 13 and name hb1 ) 1.80 0 3.20
 assign ( resid 36 and name hb1 ) ( resid 13 and name hb2 ) 2.50 0 3.50
 assign ( resid 36 and name hb1 ) ( resid 25 and name hb* ) 1.80 0 2.00
 assign ( resid 36 and name hb1 ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 36 and name hb2 ) ( resid 25 and name hb* ) 1.80 0 2.00
!assign ( resid 36 and name hb2 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 36 and name hb2 ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 37 and name ha ) ( resid 26 and name ha ) 1.80 0 3.20  
 assign ( resid 37 and name ha ) ( resid 26 and name hb1 ) 1.80 0 3.20
 assign ( resid 37 and name ha ) ( resid 26 and name hb2 ) 1.80 0 3.20
 assign ( resid 38 and name ha ) ( resid 33 and name ha ) 1.80 0 3.20
 assign ( resid 38 and name ha ) ( resid 26 and name hb1 ) 2.50 0 3.50 
 assign ( resid 38 and name ha ) ( resid 26 and name hb2 ) 2.50 0 3.50
 assign ( resid 38 and name hb2 ) ( resid 60 and name hg* ) 2.50 0 4.50
 assign ( resid 39 and name ha ) ( resid 34 and name hg* ) 1.80 0 4.20
 assign ( resid 39 and name ha ) ( resid 34 and name hb1 ) 2.50 0 3.50
 assign ( resid 39 and name ha ) ( resid 34 and name hb2 ) 1.80 0 3.20
!assign ( resid 39 and name ha ) ( resid 62 and name hb* ) 1.80 0 4.20
 assign ( resid 39 and name hb2 ) ( resid 57 and name hb2 ) 1.80 0 3.20
 assign ( resid 39 and name hb2 ) ( resid 32 and name hb2 ) 1.80 0 3.20
 assign ( resid 40 and name ha ) ( resid 59 and name ha1 ) 1.80 0 3.20 
 assign ( resid 41 and name ha ) ( resid 57 and name hb2 ) 1.80 0 3.20
 assign ( resid 42 and name ha1 ) ( resid 56 and name hd1 ) 1.80 0 3.20
 assign ( resid 42 and name ha1 ) ( resid 56 and name hd2 ) 1.80 0 3.20
 assign ( resid 42 and name ha2 ) ( resid 56 and name hb1 ) 1.80 0 3.20
 assign ( resid 42 and name ha2 ) ( resid 56 and name hb2 ) 1.80 0 3.20
 assign ( resid 43 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50 
 assign ( resid 44 and name ha ) ( resid 56 and name hd1 ) 1.80 0 3.20
 assign ( resid 44 and name ha ) ( resid 54 and name hb1 ) 2.50 0 3.50
 assign ( resid 44 and name ha ) ( resid 54 and name hb2 ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 31 and name ha ) 2.50 0 4.50
 assign ( resid 45 and name ha ) ( resid 64 and name hb1 ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 64 and name hb2 ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 31 and name hg ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 31 and name hb1 ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 31 and name hb2 ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 31 and name hd* ) 1.80 0 5.60
 assign ( resid 45 and name hb1 ) ( resid 64 and name hb2 ) 1.80 0 3.20
 assign ( resid 45 and name hb1 ) ( resid 31 and name hd* ) 1.80 0 5.60
 assign ( resid 46 and name hd* ) ( resid 55 and name hb1 ) 2.50 0 3.50
 assign ( resid 46 and name hd* ) ( resid 31 and name hd* ) 2.50 0 5.90
 assign ( resid 46 and name hd* ) ( resid 55 and name hb2 ) 2.50 0 3.50
 assign ( resid 47 and name ha ) ( resid 54 and name hb2 ) 2.50 0 3.50
 assign ( resid 47 and name ha ) ( resid 54 and name hb1 ) 1.80 0 3.70
 assign ( resid 52 and name hd1 ) ( resid 68 and name hb1 ) 2.50 0 3.50
 assign ( resid 52 and name hd1 ) ( resid 68 and name hb2 ) 2.50 0 3.50
 assign ( resid 52 and name hz2 ) ( resid 68 and name hb1 ) 2.50 0 4.50
 assign ( resid 52 and name hz2 ) ( resid 68 and name hb2 ) 2.50 0 4.50
 assign ( resid 54 and name ha ) ( resid 48 and name ha ) 1.80 0 3.20
 assign ( resid 54 and name ha ) ( resid 48 and name hb* ) 1.80 0 3.20
 assign ( resid 54 and name ha ) ( resid 47 and name ha ) 2.50 0 4.00
 !assign ( resid 54 and name ha ) ( resid 47 and name hb ) 2.50 0 3.50
 !assign ( resid 54 and name ha ) ( resid 47 and name hg11 ) 2.50 0 3.50
 !assign ( resid 54 and name ha ) ( resid 47 and name hg12 ) 2.50 0 3.50
 assign ( resid 54 and name ha ) ( resid 44 and name hd* ) 1.80 0 4.20
 !assign ( resid 54 and name ha ) ( resid 47 and name hd* ) 2.50 0 4.50
 assign ( resid 54 and name ha ) ( resid 44 and name hg1* ) 2.50 0 4.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hb* ) 2.50 0 3.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hg1* ) 2.50 0 3.50
 assign ( resid 54 and name hb2 ) ( resid 44 and name hg1* ) 2.50 0 3.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hb* ) 2.50 0 3.50
 assign ( resid 54 and name hb2 ) ( resid 48 and name hb* ) 2.50 0 4.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hd* ) 1.80 0 2.00
 assign ( resid 54 and name hb2 ) ( resid 44 and name hd* ) 1.80 0 2.00
!assign ( resid 55 and name ha ) ( resid 44 and name hd* ) 2.50 0 4.50
 assign ( resid 55 and name ha ) ( resid 66 and name ha ) 2.50 0 4.50  
 assign ( resid 55 and name ha ) ( resid 46 and name hb* ) 1.80 0 4.20
 assign ( resid 55 and name hb1 ) ( resid 46 and name hb* ) 1.80 0 4.20
 assign ( resid 55 and name hb2 ) ( resid 46 and name hb* ) 1.80 0 4.20
!assign ( resid 55 and name hb1 ) ( resid 44 and name hd* ) 2.50 0 4.50
 assign ( resid 56 and name ha ) ( resid 42 and name ha1 ) 2.50 0 3.50
 assign ( resid 56 and name ha ) ( resid 42 and name ha2 ) 2.50 0 3.50
 assign ( resid 56 and name ha ) ( resid 44 and name ha ) 1.80 0 1.00
 assign ( resid 56 and name ha ) ( resid 41 and name ha ) 2.50 0 3.50  
!assign ( resid 56 and name ha ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 56 and name ha ) ( resid 44 and name hg2* ) 1.80 0 4.20
 assign ( resid 56 and name ha ) ( resid 44 and name hd* ) 1.80 0 4.20
 assign ( resid 56 and name hd1 ) ( resid 44 and name hd* ) 1.80 0 4.20
 assign ( resid 57 and name ha ) ( resid 64 and name ha ) 1.80 0 3.20
 assign ( resid 57 and name ha ) ( resid 65 and name hd1 ) 1.80 0 3.20
 assign ( resid 57 and name ha ) ( resid 65 and name hd2 ) 1.80 0 3.20
 assign ( resid 57 and name ha ) ( resid 45 and name hb1 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 65 and name hg1 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 65 and name hg2 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 43 and name hg1 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 41 and name hb* ) 2.50 0 4.50
 assign ( resid 57 and name hb1 ) ( resid 43 and name hg1 ) 1.80 0 3.20
!assign ( resid 57 and name hb1 ) ( resid 31 and name hd* ) 1.80 0 4.20
 assign ( resid 57 and name hb1 ) ( resid 41 and name hb* ) 2.50 0 4.50 
 assign ( resid 57 and name hb2 ) ( resid 43 and name hb* ) 1.80 0 4.20
 assign ( resid 57 and name hb2 ) ( resid 43 and name hg1 ) 1.80 0 3.20
 assign ( resid 57 and name hb2 ) ( resid 43 and name hg2 ) 1.80 0 3.20
 assign ( resid 57 and name hb2 ) ( resid 41 and name hb* ) 2.50 0 4.50
 assign ( resid 58 and name hb) ( resid 41 and name hb* ) 1.80 0 4.20
 assign ( resid 59 and name ha1 ) ( resid 41 and name ha ) 1.80 0 3.20
 assign ( resid 59 and name ha1 ) ( resid 41 and name hb* ) 1.80 0 2.00 
 assign ( resid 62 and name ha ) ( resid 33 and name ha ) 2.50 0 3.50
 assign ( resid 62 and name ha ) ( resid 32 and name ha ) 1.80 0 3.20
 assign ( resid 62 and name ha ) ( resid 32 and name hb1 ) 1.80 0 3.20
 assign ( resid 62 and name ha ) ( resid 32 and name hb2 ) 1.80 0 3.20
!assign ( resid 63 and name ha ) ( resid 31 and name ha ) 2.50 0 3.50
!assign ( resid 61 and name ha ) ( resid 31 and name hd* ) 2.50 0 4.50
!assign ( resid 61 and name ha ) ( resid 31 and name hb1 ) 2.50 0 3.50
 assign ( resid 63 and name ha ) ( resid 31 and name hg ) 1.80 0 3.20
 assign ( resid 63 and name hb1 ) ( resid 31 and name hb1 ) 2.50 0 3.50
 assign ( resid 63 and name hb1 ) ( resid 31 and name hd* ) 2.50 0 5.90
 assign ( resid 64 and name ha ) ( resid 45 and name hb1 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 31 and name hb2 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 58 and name hg2* ) 2.50 0 4.50
 assign ( resid 64 and name ha ) ( resid 31 and name hd* ) 1.80 0 5.60
 assign ( resid 64 and name ha ) ( resid 57 and name ha ) 1.80 0 3.20
 assign ( resid 64 and name hb2 ) ( resid 31 and name hg ) 1.80 0 3.20
 assign ( resid 64 and name hb2 ) ( resid 31 and name hb1 ) 1.80 0 3.20
 assign ( resid 64 and name hb2 ) ( resid 31 and name hb2 ) 1.80 0 3.20
 assign ( resid 64 and name hb2 ) ( resid 31 and name hd* ) 1.80 0 3.40
 assign ( resid 65 and name hd1 ) ( resid 58 and name hg2* ) 1.80 0 4.20
 assign ( resid 65 and name hd2 ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 65 and name hd2 ) ( resid 58 and name hg2 ) 1.80 0 4.20
 assign ( resid 65 and name hd1 ) ( resid 45 and name hb1 ) 2.50 0 3.50
 assign ( resid 65 and name hd1 ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 26 and name he21 ) ( resid 38 and name he* ) 2.50 0 5.90
 assign ( resid 38 and name hd* ) ( resid 26 and name ha ) 2.50 0 4.50 
 assign ( resid 38 and name hd* ) ( resid 26 and name hg1 ) 2.50 0 5.90
 assign ( resid 38 and name hd* ) ( resid 26 and name hg2 ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 26 and name hb1 ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 26 and name hb2 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 26 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name he* ) ( resid 26 and name he21 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 26 and name hg2 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 26 and name hb1 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 26 and name hb2 ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 27 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 27 and name ha ) 2.50 0 4.50 
 assign ( resid 38 and name hd* ) ( resid 27 and name hb1 ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 27 and name hb2 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 27 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name he* ) ( resid 27 and name hb1 ) 1.80 0 3.40
 assign ( resid 38 and name hd* ) ( resid 33 and name ha ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 33 and name hb2 ) 2.50 0 5.90
 assign ( resid 38 and name he* ) ( resid 33 and name hb2 ) 2.50 0 5.90
 assign ( resid 38 and name hd* ) ( resid 60 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 60 and name ha ) 1.80 0 3.40 
 assign ( resid 38 and name he* ) ( resid 60 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 61 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 61 and name hb2 ) 2.50 0 5.90
 assign ( resid 38 and name he* ) ( resid 61 and name ha ) 2.50 0 4.50
 assign ( resid 38 and name he* ) ( resid 61 and name hb2 ) 2.50 0 5.90
 assign ( resid 38 and name hd* ) ( resid 62 and name hn ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 62 and name ha ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 62 and name hn ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 62 and name ha ) 1.80 0 5.60
 assign ( resid 67 and name hd* ) ( resid 53 and name hb2 ) 2.50 0 5.90
 assign ( resid 67 and name hd* ) ( resid 53 and name hb1 ) 2.50 0 5.90
 assign ( resid 67 and name he* ) ( resid 53 and name hb2 ) 2.50 0 5.90
 assign ( resid 67 and name he* ) ( resid 53 and name hb1 ) 2.50 0 5.90
!assign ( resid 67 and name hd* ) ( resid 56 and name hn ) 2.50 0 5.90
 assign ( resid 11 and name hd22 ) ( resid 6 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 6 and name hb2 ) 1.80 0 3.20
 assign ( resid 11 and name hd21 ) ( resid 6 and name ha ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 28 and name ha1 ) 1.80 0 3.20
 assign ( resid 11 and name hd22 ) ( resid 28 and name ha2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 28 and name ha2 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 29 and name hb1 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 29 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 29 and name hg1 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 29 and name hg2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 29 and name hg1 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 29 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 29 and name hb1 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 29 and name hg2 ) 2.50 0 3.50
 assign ( resid 26 and name he22 ) ( resid 38 and name hn ) 2.50 0 3.50



!intermediate NOEs  (i-i+1~~~i-i+4)

 assign ( resid 4 and name hn ) ( resid 6 and name hn ) 2.50 0.00 3.50
 assign ( resid 8 and name hn ) ( resid 11 and name hn ) 2.50 0.00 3.50
 assign ( resid 13 and name hn ) ( resid 11 and name hn ) 2.50 0.00 3.50
 assign ( resid 16 and name hn ) ( resid 18 and name hn ) 2.50 0.00 3.50
 assign ( resid 18 and name hn ) ( resid 20 and name hn ) 2.50 0.00 3.50
 assign ( resid 19 and name hn ) ( resid 15 and name hn ) 2.50 0.00 3.50
 assign ( resid 19 and name hn ) ( resid 16 and name hn ) 2.50 0.00 3.50
 assign ( resid 25 and name hn ) ( resid 22 and name hn ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 33 and name hn ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 36 and name hn ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 37 and name hn ) 1.80 0.00 3.20
 assign ( resid 34 and name hn ) ( resid 38 and name hn ) 2.50 0.00 3.50
 assign ( resid 35 and name hn ) ( resid 37 and name hn ) 2.50 0.00 3.50
 assign ( resid 40 and name hn ) ( resid 43 and name hn ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 41 and name hn ) 2.50 0.00 3.50
 assign ( resid 46 and name hn ) ( resid 44 and name hn ) 2.50 0.00 3.50
 assign ( resid 50 and name hn ) ( resid 52 and name hn ) 2.50 0.00 3.50
 assign ( resid 58 and name hn ) ( resid 60 and name hn ) 2.50 0.00 3.50
 assign ( resid 58 and name hn ) ( resid 61 and name hn ) 2.50 0.00 3.50
 assign ( resid 59 and name hn ) ( resid 61 and name hn ) 1.80 0.00 3.20
 assign ( resid 45 and name hn ) ( resid 44 and name hg2* ) 2.50 0.00 4.50
 !assign ( resid 49 and name hn ) ( resid 47 and name hg2* ) 1.80 0.00 4.20
 assign ( resid 27 and name hn ) ( resid 26 and name hg2 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 37 and name hg2 ) 2.50 0.00 3.50
 assign ( resid 44 and name hn ) ( resid 43 and name hg2 ) 1.80 0.00 3.20
 assign ( resid 13 and name hn ) ( resid 12 and name hg* ) 1.80 0.00 4.20
 assign ( resid 27 and name hn ) ( resid 26 and name hg1 ) 1.80 0.00 3.20
 assign ( resid 38 and name hn ) ( resid 37 and name hg1 ) 2.50 0.00 3.50
 assign ( resid 44 and name hn ) ( resid 43 and name hg1 ) 1.80 0.00 3.20
 assign ( resid 4 and name hn ) ( resid 2 and name hg* ) 2.50 0.00 4.50
 assign ( resid 15 and name hn ) ( resid 18 and name hg2* ) 2.50 0.00 4.50 
 assign ( resid 17 and name hn ) ( resid 18 and name hg2* ) 1.80 0.00 4.20
 assign ( resid 19 and name hn ) ( resid 18 and name hg2* ) 1.80 0.00 4.20
 assign ( resid 21 and name hn ) ( resid 20 and name hg* ) 1.80 0.00 4.20
 assign ( resid 24 and name hn ) ( resid 23 and name hg* ) 2.50 0.00 4.50
 assign ( resid 30 and name hn ) ( resid 29 and name hg* ) 2.50 0.00 4.50
 assign ( resid 36 and name hn ) ( resid 35 and name hg* ) 2.50 0.00 4.50
 assign ( resid 37 and name hn ) ( resid 34 and name hg* ) 1.80 0.00 4.20
 assign ( resid 47 and name hn ) ( resid 46 and name hg1 ) 1.80 0.00 4.20
 assign ( resid 47 and name hg11 ) ( resid 48 and name hb* ) 1.80 0.00 3.70
 !assign ( resid 47 and name hn ) ( resid 43 and name hn ) 1.80 0.00 4.20
 assign ( resid 47 and name hn ) ( resid 46 and name hb* ) 1.80 0.00 4.20
 assign ( resid 47 and name hn ) ( resid 46 and name hg2 ) 1.80 0.00 4.20
 assign ( resid 48 and name hn ) ( resid 46 and name ha ) 2.50 0.00 4.50
 assign ( resid 48 and name hn ) ( resid 47 and name hb ) 1.80 0.00 3.70
 assign ( resid 48 and name hn ) ( resid 47 and name hg11 ) 1.80 0.00 4.20
 assign ( resid 48 and name hn ) ( resid 47 and name hg2* ) 1.80 0.00 3.70
 assign ( resid 48 and name hn ) ( resid 47 and name hd* ) 1.80 0.00 4.20
 assign ( resid 50 and name hn ) ( resid 49 and name hg* ) 2.50 0.00 4.50
 assign ( resid 51 and name hn ) ( resid 48 and name hb* ) 2.50 0.00 3.50
 assign ( resid 52 and name hn ) ( resid 48 and name hb* ) 1.80 0.00 3.70
 assign ( resid 53 and name hn ) ( resid 52 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 53 and name hn ) ( resid 52 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 54 and name hn ) ( resid 53 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 54 and name hn ) ( resid 53 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 59 and name hn ) ( resid 58 and name hg2* ) 2.50 0.00 4.50
 assign ( resid 60 and name hn ) ( resid 58 and name hg2* ) 2.50 0.00 4.50
 assign ( resid 61 and name hn ) ( resid 58 and name hg2* ) 2.50 0.00 4.50
 assign ( resid 66 and name hn ) ( resid 65 and name hg* ) 2.50 0.00 4.50
 assign ( resid 67 and name hn ) ( resid 66 and name hg* ) 1.80 0.00 4.20
 assign ( resid 68 and name hn ) ( resid 66 and name hg* ) 2.50 0.00 4.50
!assign ( resid 25 and name hn ) ( resid 21 and name hg ) 2.50 0.00 3.50
 assign ( resid 32 and name hn ) ( resid 31 and name hg ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 21 and name hd2* ) 1.80 0.00 4.20
 assign ( resid 57 and name hn ) ( resid 56 and name hd2 ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 21 and name hd1* ) 1.80 0.00 4.20
 assign ( resid 13 and name hn ) ( resid 12 and name hd1 ) 1.80 0.00 3.20
 assign ( resid 13 and name hn ) ( resid 12 and name hd2 ) 1.80 0.00 3.20
 assign ( resid 57 and name hn ) ( resid 56 and name hd1 ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 31 and name hd* ) 2.50 0.00 4.50
 assign ( resid 33 and name hn ) ( resid 31 and name hd* ) 2.50 0.00 4.50
 assign ( resid 38 and name hn ) ( resid 37 and name hd* ) 2.50 0.00 4.50
 assign ( resid 41 and name hn ) ( resid 40 and name hd* ) 1.80 0.00 4.20
 assign ( resid 45 and name hn ) ( resid 44 and name hd* ) 1.80 0.00 4.20
 assign ( resid 46 and name hn ) ( resid 44 and name hd* ) 1.80 0.00 3.20
 !assign ( resid 50 and name hn ) ( resid 49 and name hd* ) 2.50 0.00 4.50
 assign ( resid 4 and name hn ) ( resid 3 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 5 and name hn ) ( resid 4 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 6 and name hn ) ( resid 4 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 7 and name hn ) ( resid 6 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 8 and name hn ) ( resid 6 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 8 and name hn ) ( resid 11 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 10 and name hn ) ( resid 8 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 10 and name hn ) ( resid 11 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 11 and name hn ) ( resid 10 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 14 and name hn ) ( resid 13 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 15 and name hn ) ( resid 14 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 16 and name hn ) ( resid 15 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 17 and name hn ) ( resid 15 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 18 and name hn ) ( resid 15 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 19 and name hn ) ( resid 15 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 20 and name hn ) ( resid 19 and name hb2 ) 2.50 0.00 3.50
!assign ( resid 21 and name hn ) ( resid 20 and name hb2 ) 1.80 0.00 1.00
 assign ( resid 28 and name hn ) ( resid 27 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 28 and name hn ) ( resid 29 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 29 and name hn ) ( resid 27 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 29 and name hn ) ( resid 33 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 30 and name hn ) ( resid 29 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 30 and name hn ) ( resid 33 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 31 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 34 and name hn ) ( resid 33 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 37 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 35 and name hn ) ( resid 34 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 36 and name hn ) ( resid 35 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 35 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 36 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 37 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 39 and name hn ) ( resid 38 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 40 and name hn ) ( resid 39 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 56 and name hn ) ( resid 55 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 57 and name hn ) ( resid 56 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 58 and name hn ) ( resid 57 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 60 and name hn ) ( resid 61 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 61 and name hn ) ( resid 60 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 62 and name hn ) ( resid 61 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 63 and name hn ) ( resid 61 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 68 and name hn ) ( resid 66 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 68 and name hn ) ( resid 67 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 4 and name hn ) ( resid 3 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 5 and name hn ) ( resid 4 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 6 and name hn ) ( resid 4 and name hb1 ) 1.80 0.00 3.20  
 assign ( resid 7 and name hn ) ( resid 6 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 8 and name hn ) ( resid 6 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 8 and name hn ) ( resid 7 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 8 and name hn ) ( resid 11 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 10 and name hn ) ( resid 8 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 10 and name hn ) ( resid 11 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 11 and name hn ) ( resid 10 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 13 and name hn ) ( resid 12 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 13 and name hn ) ( resid 12 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 13 and name hn ) ( resid 14 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 14 and name hn ) ( resid 12 and name hg* ) 2.50 0.00 4.50 
 assign ( resid 14 and name hn ) ( resid 13 and name hb1 ) 1.80 0.00 3.20
!assign ( resid 14 and name hn ) ( resid 15 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 15 and name hn ) ( resid 14 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 16 and name hn ) ( resid 15 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 18 and name hn ) ( resid 15 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 19 and name hn ) ( resid 15 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 20 and name hn ) ( resid 19 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 21 and name hn ) ( resid 20 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 28 and name hn ) ( resid 27 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 28 and name hn ) ( resid 29 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 29 and name hn ) ( resid 27 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 29 and name hn ) ( resid 33 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 32 and name hn ) ( resid 31 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 33 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 33 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 35 and name hn ) ( resid 34 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 36 and name hn ) ( resid 35 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 34 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 35 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 36 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 37 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 39 and name hn ) ( resid 38 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 40 and name hn ) ( resid 39 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 41 and name hn ) ( resid 40 and name hb* ) 1.80 0.00 2.00
 assign ( resid 55 and name hn ) ( resid 54 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 55 and name hn ) ( resid 54 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 56 and name hn ) ( resid 55 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 57 and name hn ) ( resid 56 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 58 and name hn ) ( resid 57 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 60 and name hn ) ( resid 61 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 61 and name hn ) ( resid 60 and name hb1 ) 1.80 0.00 3.20
!assign ( resid 62 and name hn ) ( resid 61 and name hb1 ) 1.80 0.00 1.00
 assign ( resid 63 and name hn ) ( resid 61 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 64 and name hn ) ( resid 63 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 67 and name hn ) ( resid 66 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 68 and name hn ) ( resid 66 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 6 and name hn ) ( resid 5 and name hb* ) 1.80 0.00 4.20
 assign ( resid 11 and name hn ) ( resid 8 and name hb* ) 1.80 0.00 4.20
 assign ( resid 18 and name hn ) ( resid 17 and name hb* ) 1.80 0.00 2.00
 assign ( resid 22 and name hn ) ( resid 21 and name hb* ) 1.80 0.00 2.00
 assign ( resid 24 and name hn ) ( resid 23 and name hb* ) 1.80 0.00 4.20
 assign ( resid 25 and name hn ) ( resid 21 and name hb* ) 1.80 0.00 4.20
 assign ( resid 25 and name hn ) ( resid 23 and name hb* ) 2.50 0.00 4.50
 assign ( resid 26 and name hn ) ( resid 25 and name hb* ) 1.80 0.00 4.20
 assign ( resid 27 and name hn ) ( resid 26 and name hb* ) 1.80 0.00 4.20
 assign ( resid 42 and name hn ) ( resid 41 and name hb* ) 1.80 0.00 4.20
 assign ( resid 46 and name hn ) ( resid 43 and name hg1 ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 43 and name hg2 ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 45 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 46 and name hn ) ( resid 45 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 49 and name hn ) ( resid 48 and name hb* ) 1.80 0.00 3.70
 assign ( resid 50 and name hn ) ( resid 48 and name ha ) 2.50 0.00 4.50
 assign ( resid 50 and name hn ) ( resid 48 and name hb* ) 2.50 0.00 3.70
 assign ( resid 50 and name hn ) ( resid 49 and name hb1 ) 1.80 0.00 4.20
 assign ( resid 50 and name hn ) ( resid 49 and name hb2 ) 1.80 0.00 4.20
 assign ( resid 52 and name hn ) ( resid 51 and name hb1 ) 2.50 0.00 3.70
 assign ( resid 52 and name hn ) ( resid 51 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name he1 ) ( resid 53 and name hn ) 2.50 0.00 4.20
 assign ( resid 52 and name he1 ) ( resid 49 and name hn ) 1.80 0.00 3.20
 assign ( resid 52 and name he1 ) ( resid 48 and name ha ) 1.80 0.00 3.20
 assign ( resid 52 and name he1 ) ( resid 48 and name hb* ) 1.80 0.00 3.70
 assign ( resid 52 and name hd1 ) ( resid 48 and name ha ) 1.80 0.00 3.70
 assign ( resid 52 and name hd1 ) ( resid 50 and name ha1 ) 2.50 0.00 4.20
 assign ( resid 52 and name hd1 ) ( resid 51 and name hb1 ) 2.50 0.00 3.20
 assign ( resid 52 and name hd1 ) ( resid 51 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hd1 ) ( resid 49 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hd1 ) ( resid 49 and name hg* ) 2.50 0.00 4.20
 assign ( resid 52 and name hd1 ) ( resid 48 and name hb* ) 1.80 0.00 3.20
 assign ( resid 52 and name he3 ) ( resid 48 and name hb* ) 2.50 0.00 4.20
 assign ( resid 52 and name he3 ) ( resid 51 and name ha ) 2.50 0.00 4.20
 assign ( resid 52 and name he3 ) ( resid 48 and name hb* ) 2.50 0.00 4.20
 assign ( resid 52 and name he3 ) ( resid 51 and name hb1 ) 2.50 0.00 3.20
 assign ( resid 52 and name he3 ) ( resid 51 and name hb2 ) 2.50 0.00 4.20
 assign ( resid 52 and name he3 ) ( resid 50 and name ha1 ) 2.50 0.00 4.50
 assign ( resid 52 and name hh2 ) ( resid 50 and name ha1 ) 2.50 0.00 3.70
 assign ( resid 52 and name hh2 ) ( resid 50 and name ha2 ) 2.50 0.00 3.20
 assign ( resid 52 and name hh2 ) ( resid 49 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 49 and name ha ) 2.50 0.00 3.20
 assign ( resid 52 and name hz2 ) ( resid 48 and name ha ) 2.50 0.00 4.00
 assign ( resid 52 and name hz2 ) ( resid 50 and name ha1 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 50 and name ha2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb1 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 49 and name hg* ) 2.50 0.00 4.50
 assign ( resid 52 and name hz2 ) ( resid 48 and name hb* ) 2.50 0.00 4.50
 assign ( resid 63 and name hn ) ( resid 62 and name hb* ) 1.80 0.00 4.20
 assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 1.80 0.00 4.20
 assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 1.80 0.00 4.20
 assign ( resid 20 and name hn ) ( resid 18 and name hb ) 1.80 0.00 3.20  
 assign ( resid 45 and name hn ) ( resid 44 and name hb ) 1.80 0.00 3.20
 assign ( resid 46 and name hn ) ( resid 44 and name hb ) 2.50 0.00 3.50
 assign ( resid 60 and name hn ) ( resid 58 and name hb ) 1.80 0.00 3.20
 assign ( resid 61 and name hn ) ( resid 58 and name hb ) 2.50 0.00 3.50
!assign ( resid 27 and name hn ) ( resid 28 and name ha2 ) 2.50 0.00 3.50
!assign ( resid 27 and name hn ) ( resid 28 and name ha1 ) 1.80 0.00 3.20
 assign ( resid 61 and name hn ) ( resid 58 and name ha ) 1.80 0.00 3.20 
!assign ( resid 7 and name hn ) ( resid 5 and name ha ) 1.80 0.00 1.00
 assign ( resid 7 and name hn ) ( resid 8 and name ha ) 2.50 0.00 3.50
 assign ( resid 8 and name hn ) ( resid 6 and name ha ) 1.80 0.00 3.20
 assign ( resid 10 and name hn ) ( resid 8 and name ha ) 2.50 0.00 3.50
 assign ( resid 11 and name hn ) ( resid 9 and name ha ) 1.80 0.00 3.20
 assign ( resid 14 and name hn ) ( resid 12 and name ha ) 2.50 0.00 3.50
!assign ( resid 15 and name hn ) ( resid 19 and name ha ) 2.50 0.00 3.50
 assign ( resid 17 and name hn ) ( resid 15 and name ha ) 1.80 0.00 3.20
 assign ( resid 19 and name hn ) ( resid 16 and name ha ) 1.80 0.00 3.20
 assign ( resid 25 and name hn ) ( resid 23 and name ha ) 1.80 0.00 3.20
 assign ( resid 28 and name hn ) ( resid 29 and name ha ) 2.50 0.00 3.50
 assign ( resid 29 and name hn ) ( resid 27 and name ha ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 33 and name ha ) 2.50 0.00 3.50
 assign ( resid 33 and name hn ) ( resid 30 and name ha2 ) 2.50 0.00 3.50
 assign ( resid 33 and name hn ) ( resid 30 and name ha1 ) 1.80 0.00 3.20
 assign ( resid 34 and name hn ) ( resid 35 and name ha ) 2.50 0.00 3.50
!assign ( resid 34 and name hn ) ( resid 36 and name ha ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 38 and name ha ) 2.50 0.00 3.50 
 assign ( resid 36 and name hn ) ( resid 34 and name ha ) 1.80 0.00 3.20
 assign ( resid 37 and name hn ) ( resid 33 and name ha ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 35 and name ha ) 2.50 0.00 3.50
 assign ( resid 39 and name hn ) ( resid 37 and name ha ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 41 and name ha ) 1.80 0.00 3.20
 assign ( resid 43 and name hn ) ( resid 41 and name hb* ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 44 and name ha ) 1.80 0.00 3.20
!assign ( resid 47 and name hn ) ( resid 45 and name ha ) 2.50 0.00 3.50
!assign ( resid 55 and name hn ) ( resid 56 and name ha ) 2.50 0.00 3.50
 assign ( resid 60 and name hn ) ( resid 58 and name ha ) 1.80 0.00 3.20
 assign ( resid 63 and name hn ) ( resid 61 and name ha ) 1.80 0.00 3.20 
 assign ( resid 4 and name ha ) ( resid 3 and name ha ) 2.50 0 3.50
 assign ( resid 6 and name ha ) ( resid 7 and name ha ) 2.50 0 3.50
 assign ( resid 7 and name ha ) ( resid 4 and name hb1 ) 2.50 0 3.50
 assign ( resid 7 and name ha ) ( resid 4 and name hb2 ) 2.50 0 3.50 
!assign ( resid 7 and name ha ) ( resid 6 and name hb1 ) 1.80 0 3.20 
 assign ( resid 8 and name ha ) ( resid 9 and name ha ) 1.80 0 3.20
 assign ( resid 8 and name ha ) ( resid 9 and name hb* ) 1.80 0 4.20
 assign ( resid 8 and name ha ) ( resid 10 and name hb* ) 2.50 0 4.50
 assign ( resid 8 and name hb2 ) ( resid 11 and name hb1 ) 1.80 0 3.20
 assign ( resid 8 and name hb2 ) ( resid 11 and name hb2 ) 1.80 0 3.20
 assign ( resid 8 and name hb2 ) ( resid 10 and name hb* ) 2.50 0 4.50
 assign ( resid 9 and name ha ) ( resid 8 and name ha ) 1.80 0 3.20
 assign ( resid 13 and name ha ) ( resid 14 and name hb* ) 1.80 0 4.20
!assign ( resid 13 and name hb1 ) ( resid 11 and name hb2 ) 2.50 0 3.50
 assign ( resid 14 and name ha ) ( resid 13 and name ha ) 2.50 0 3.50
 assign ( resid 14 and name ha ) ( resid 15 and name ha ) 2.50 0 3.50
 assign ( resid 14 and name ha ) ( resid 15 and name hb1 ) 1.80 0 3.20
 assign ( resid 14 and name ha ) ( resid 15 and name hb2 ) 2.50 0 3.50
 assign ( resid 15 and name ha ) ( resid 14 and name hb* ) 2.50 0 3.50
 assign ( resid 15 and name hb1 ) ( resid 18 and name hg2* ) 1.80 0 4.20
 assign ( resid 15 and name hb2 ) ( resid 18 and name hg2* ) 1.80 0 4.20
 assign ( resid 16 and name ha ) ( resid 14 and name hb* ) 2.50 0 4.50
 assign ( resid 19 and name ha ) ( resid 16 and name ha ) 2.50 0 4.50 
 assign ( resid 20 and name ha ) ( resid 21 and name hd1* ) 2.50 0 4.50 
 assign ( resid 20 and name ha ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 23 and name ha ) ( resid 21 and name hb* ) 2.50 0 4.50
!assign ( resid 23 and name ha ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 23 and name ha ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 23 and name hd2 ) ( resid 22 and name hd1 ) 2.50 0 3.50
 assign ( resid 23 and name hd2 ) ( resid 22 and name hd2 ) 2.50 0 3.50
!assign ( resid 23 and name hd2 ) ( resid 25 and name hb* ) 2.50 0 4.50
 assign ( resid 23 and name hd2 ) ( resid 21 and name hb* ) 1.80 0 4.20
 assign ( resid 24 and name ha2 ) ( resid 25 and name hb* ) 2.50 0 4.50
 assign ( resid 25 and name ha ) ( resid 26 and name hg1 ) 2.50 0 3.50
 assign ( resid 25 and name ha ) ( resid 26 and name ha ) 2.50 0 3.50
 assign ( resid 27 and name ha ) ( resid 28 and name ha2 ) 1.80 0 3.20
 assign ( resid 27 and name hb1 ) ( resid 26 and name hg1 ) 2.50 0 3.50
 assign ( resid 27 and name hb1 ) ( resid 26 and name hb1 ) 2.50 0 3.50
 assign ( resid 27 and name hb1 ) ( resid 26 and name hb2 ) 2.50 0 3.50
 assign ( resid 28 and name ha2 ) ( resid 29 and name hb1 ) 2.50 0 3.50
 assign ( resid 28 and name ha2 ) ( resid 29 and name hb2 ) 2.50 0 3.50
 assign ( resid 28 and name ha2 ) ( resid 29 and name hg* ) 2.50 0 4.50
 assign ( resid 29 and name ha ) ( resid 33 and name hb1 ) 2.50 0 3.50 
 assign ( resid 29 and name ha ) ( resid 33 and name hb2 ) 2.50 0 3.50
 assign ( resid 30 and name ha1 ) ( resid 31 and name hb2 ) 2.50 0 3.50
 assign ( resid 30 and name ha1 ) ( resid 31 and name hd* ) 1.80 0 5.60
 assign ( resid 30 and name ha2 ) ( resid 33 and name hb1 ) 2.50 0 3.50 
 assign ( resid 32 and name ha ) ( resid 31 and name ha ) 2.50 0 3.50
 assign ( resid 32 and name ha ) ( resid 31 and name hd* ) 2.50 0 4.50
 assign ( resid 33 and name ha ) ( resid 34 and name hb1 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 34 and name hb2 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 34 and name hg* ) 2.50 0 4.50
 assign ( resid 34 and name ha ) ( resid 33 and name ha ) 2.50 0 3.50
 assign ( resid 38 and name ha ) ( resid 37 and name ha ) 2.50 0 3.50
 assign ( resid 38 and name ha ) ( resid 39 and name ha ) 1.80 0 3.20
 assign ( resid 39 and name hb1 ) ( resid 43 and name he* ) 2.50 0 4.50
 assign ( resid 39 and name hb2 ) ( resid 43 and name hd* ) 1.80 0 4.20
 assign ( resid 39 and name hb2 ) ( resid 43 and name hg1 ) 1.80 0 3.20
 assign ( resid 39 and name hb2 ) ( resid 43 and name hg2 ) 2.50 0 3.50
 assign ( resid 40 and name ha ) ( resid 41 and name ha ) 1.80 0 3.20
!assign ( resid 40 and name ha ) ( resid 37 and name he* ) 2.50 0 4.50
 assign ( resid 40 and name ha ) ( resid 38 and name hb2 ) 2.50 0 3.50
 assign ( resid 40 and name ha ) ( resid 41 and name hb* ) 1.80 0 4.20
 assign ( resid 42 and name ha2 ) ( resid 41 and name hb* ) 2.50 0 4.50
 assign ( resid 44 and name ha ) ( resid 42 and name ha2 ) 2.50 0 3.50 
 assign ( resid 44 and name ha ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 46 and name ha ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 44 and name ha ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 43 and name hg1 ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 43 and name hg2 ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 44 and name hd* ) 1.80 0 4.20
 assign ( resid 46 and name hn ) ( resid 47 and name ha ) 2.50 0 4.50
 assign ( resid 46 and name hn ) ( resid 44 and name hg1* ) 2.50 0 4.50
 assign ( resid 46 and name ha ) ( resid 44 and name ha ) 1.80 0 4.20
 assign ( resid 46 and name ha ) ( resid 47 and name hg2* ) 1.80 0 4.20
 assign ( resid 46 and name ha ) ( resid 47 and name hd* ) 2.50 0 4.50
 assign ( resid 49 and name ha ) ( resid 47 and name hg2* ) 2.5 0 4.5
 assign ( resid 49 and name ha ) ( resid 47 and name hd* ) 2.50 0 4.50
 assign ( resid 49 and name ha ) ( resid 50 and name ha1 ) 2.50 0 3.50
 assign ( resid 49 and name hd* ) ( resid 47 and name hg2* ) 2.50 0 5.50
 assign ( resid 49 and name hd* ) ( resid 47 and name hd* ) 2.50 0 5.50
 assign ( resid 49 and name hd* ) ( resid 48 and name hb* ) 2.50 0 4.50
 assign ( resid 49 and name hg* ) ( resid 48 and name hb* ) 2.50 0 4.50
 assign ( resid 50 and name ha2 ) ( resid 51 and name hb2 ) 2.50 0 4.50
 assign ( resid 51 and name ha ) ( resid 50 and name ha1 ) 2.50 0 4.50
 !assign ( resid 51 and name ha ) ( resid 48 and name hb* ) 2.50 0 4.50
 !assign ( resid 51 and name hb1 ) ( resid 47 and name hb ) 2.50 0 4.50
 assign ( resid 52 and name ha ) ( resid 48 and name hb* ) 2.50 0 4.00
 assign ( resid 52 and name hb1 ) ( resid 48 and name hb* ) 2.50 0 4.00
 assign ( resid 52 and name hb2 ) ( resid 48 and name hb* ) 2.50 0 4.00
!assign ( resid 54 and name hb1 ) ( resid 56 and name hg* ) 2.50 0 4.50
 assign ( resid 56 and name ha ) ( resid 57 and name ha ) 2.50 0 3.50
 assign ( resid 56 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50
!assign ( resid 56 and name ha ) ( resid 54 and name hb1 ) 2.50 0 3.50
!assign ( resid 56 and name ha ) ( resid 54 and name hb2 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 56 and name ha ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 58 and name hg2* ) 1.80 0 4.20
 assign ( resid 58 and name hb ) ( resid 60 and name hb* ) 1.80 0 4.20 
 assign ( resid 58 and name hb ) ( resid 60 and name hg* ) 1.80 0 4.20
!assign ( resid 59 and name ha1 ) ( resid 57 and name hb2 ) 1.80 0 3.20
 assign ( resid 59 and name ha1 ) ( resid 60 and name hg* ) 1.80 0 4.20
 assign ( resid 63 and name ha ) ( resid 64 and name hb1 ) 2.50 0 3.50
 assign ( resid 63 and name ha ) ( resid 64 and name hb2 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 65 and name ha ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 65 and name hd1 ) 1.80 0 1.00
 assign ( resid 64 and name ha ) ( resid 65 and name hd2 ) 1.80 0 1.00
 assign ( resid 64 and name ha ) ( resid 63 and name hb1 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 63 and name hb2 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 65 and name hb1 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 65 and name hb2 ) 1.80 0 3.20
 assign ( resid 64 and name ha ) ( resid 65 and name hg1 ) 1.80 0 3.20
 assign ( resid 64 and name ha ) ( resid 65 and name hg2 ) 1.80 0 3.20
 assign ( resid 65 and name ha ) ( resid 63 and name hb1 ) 2.50 0 3.50
 assign ( resid 65 and name ha ) ( resid 63 and name hb2 ) 2.50 0 3.50
 assign ( resid 65 and name hd1 ) ( resid 64 and name hb1 ) 2.50 0 3.50
 assign ( resid 65 and name hd1 ) ( resid 64 and name hb2 ) 2.50 0 3.50
 assign ( resid 65 and name ha ) ( resid 64 and name ha ) 2.50 0 3.50
 assign ( resid 65 and name hd2 ) ( resid 64 and name hb1 ) 2.50 0 3.50 
 assign ( resid 65 and name hd2 ) ( resid 64 and name hb2 ) 2.50 0 3.50
 assign ( resid 38 and name hd* ) ( resid 34 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 37 and name ha ) 2.50 0 4.50
 assign ( resid 67 and name hd* ) ( resid 66 and name ha ) 2.50 0 4.50
 assign ( resid 67 and name hd* ) ( resid 67 and name hn ) 1.80 0 5.60
 assign ( resid 67 and name hd* ) ( resid 68 and name hn ) 1.80 0 5.60
 assign ( resid 11 and name hd22 ) ( resid 8 and name hn ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 8 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 8 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 8 and name hn ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 13 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 13 and name hn ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 13 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 13 and name hn ) 2.50 0 3.50
!assign ( resid 22 and name hh* ) ( resid 21 and name hb* ) 2.50 0 3.50



!disulfide bonds
assign (resid 4 and name sg) (resid 19 and name sg) 2.02 0.1 0.1
assign (resid 6 and name sg) (resid 14 and name sg) 2.02 0.1 0.1
assign (resid 13 and name sg) (resid 36 and name sg) 2.02 0.1 0.1
assign (resid 27 and name sg) (resid 33 and name sg) 2.02 0.1 0.1
assign (resid 32 and name sg) (resid 57 and name sg) 2.02 0.1 0.1
assign (resid 45 and name sg) (resid 64 and name sg) 2.02 0.1 0.1

!H-bond
!assign ( resid 13 and name hn ) ( resid 22 and name o ) 2.0 0.5 0.5
assign ( resid 22 and name hn ) ( resid 13 and name o ) 2.0 0.5 0.5
assign ( resid 15 and name hn ) ( resid 20 and name o ) 2.0 0.5 0.5
assign ( resid 20 and name hn ) ( resid 15 and name o ) 2.0 0.5 0.5

assign ( resid 34 and name hn ) ( resid 37 and name o ) 2.0 0.5 0.5
assign ( resid 37 and name hn ) ( resid 34 and name o ) 2.0 0.5 0.5
assign ( resid 39 and name hn ) ( resid 32 and name o ) 2.0 0.5 0.5

assign ( resid 45 and name hn ) ( resid 55 and name o ) 2.0 0.5 0.5
assign ( resid 57 and name hn ) ( resid 43 and name o ) 2.0 0.5 0.5
assign ( resid 43 and name hn ) ( resid 57 and name o ) 2.0 0.5 0.5

! intra-residue NOEs

  assign ( resid 24 and name hn ) ( resid 24 and name ha2 ) 1.80 0.00 3.20
  assign ( resid 28 and name hn ) ( resid 28 and name ha2 ) 1.80 0.00 3.20
  assign ( resid 30 and name hn ) ( resid 30 and name ha2 ) 1.80 0.00 1.00
  assign ( resid 42 and name hn ) ( resid 42 and name ha2 ) 1.80 0.00 3.20
  assign ( resid 24 and name hn ) ( resid 24 and name ha1 ) 1.80 0.00 3.20
  assign ( resid 28 and name hn ) ( resid 28 and name ha1 ) 1.80 0.00 3.20
  assign ( resid 30 and name hn ) ( resid 30 and name ha1 ) 1.80 0.00 3.20
  assign ( resid 42 and name hn ) ( resid 42 and name ha1 ) 1.80 0.00 1.00
  assign ( resid 50 and name hn ) ( resid 50 and name ha1 ) 1.80 0.00 1.00
  assign ( resid 50 and name hn ) ( resid 50 and name ha2 ) 1.80 0.00 1.00
  assign ( resid 59 and name hn ) ( resid 59 and name ha* ) 1.80 0.00 1.00
  assign ( resid 4 and name hn ) ( resid 4 and name ha ) 1.80 0.00 3.20
  assign ( resid 5 and name hn ) ( resid 5 and name ha ) 1.80 0.00 3.20
  assign ( resid 6 and name hn ) ( resid 6 and name ha ) 1.80 0.00 3.20
  assign ( resid 7 and name hn ) ( resid 7 and name ha ) 1.80 0.00 3.20
  assign ( resid 8 and name hn ) ( resid 8 and name ha ) 1.80 0.00 3.20
  assign ( resid 10 and name hn ) ( resid 10 and name ha ) 1.80 0.00 3.20
  assign ( resid 11 and name hn ) ( resid 11 and name ha ) 1.80 0.00 1.00
  assign ( resid 13 and name hn ) ( resid 13 and name ha ) 1.80 0.00 3.20
  assign ( resid 14 and name hn ) ( resid 14 and name ha ) 1.80 0.00 3.20
  assign ( resid 15 and name hn ) ( resid 15 and name ha ) 1.80 0.00 3.20
  assign ( resid 16 and name hn ) ( resid 16 and name ha ) 1.80 0.00 1.00
  assign ( resid 18 and name hn ) ( resid 18 and name ha ) 1.80 0.00 3.20
  assign ( resid 19 and name hn ) ( resid 19 and name ha ) 1.80 0.00 1.00
  assign ( resid 20 and name hn ) ( resid 20 and name ha ) 1.80 0.00 3.20
  assign ( resid 21 and name hn ) ( resid 21 and name ha ) 1.80 0.00 3.20
  assign ( resid 25 and name hn ) ( resid 25 and name ha ) 1.80 0.00 1.00
  assign ( resid 27 and name hn ) ( resid 27 and name ha ) 1.80 0.00 1.00
  assign ( resid 29 and name hn ) ( resid 29 and name ha ) 1.80 0.00 3.20
  assign ( resid 31 and name hn ) ( resid 31 and name ha ) 1.80 0.00 3.20
  assign ( resid 32 and name hn ) ( resid 32 and name ha ) 1.80 0.00 3.20
  assign ( resid 33 and name hn ) ( resid 31 and name ha ) 2.50 0.00 3.50
  assign ( resid 33 and name hn ) ( resid 33 and name ha ) 1.80 0.00 3.20
  assign ( resid 34 and name hn ) ( resid 34 and name ha ) 1.80 0.00 3.20
  assign ( resid 35 and name hn ) ( resid 35 and name ha ) 1.80 0.00 1.00
  assign ( resid 36 and name hn ) ( resid 36 and name ha ) 1.80 0.00 1.00
  assign ( resid 37 and name hn ) ( resid 37 and name ha ) 1.80 0.00 3.20
  assign ( resid 38 and name hn ) ( resid 38 and name ha ) 1.80 0.00 3.20
  assign ( resid 39 and name hn ) ( resid 39 and name ha ) 1.80 0.00 3.20
  assign ( resid 40 and name hn ) ( resid 40 and name ha ) 1.80 0.00 1.00
  assign ( resid 41 and name hn ) ( resid 41 and name ha ) 1.80 0.00 3.20
  assign ( resid 43 and name hn ) ( resid 43 and name ha ) 1.80 0.00 1.00
 !assign ( resid 44 and name hn ) ( resid 44 and name ha ) 1.80 0.00 1.00
  assign ( resid 45 and name hn ) ( resid 45 and name ha ) 1.80 0.00 3.20
  assign ( resid 46 and name hn ) ( resid 46 and name ha ) 1.80 0.00 3.20
  assign ( resid 47 and name hn ) ( resid 47 and name ha ) 1.80 0.00 3.20
  assign ( resid 48 and name hn ) ( resid 48 and name ha ) 1.80 0.00 1.00
  assign ( resid 49 and name hn ) ( resid 49 and name ha ) 1.80 0.00 2.00
  assign ( resid 51 and name hn ) ( resid 51 and name ha ) 1.80 0.00 1.00
  assign ( resid 52 and name hn ) ( resid 52 and name ha ) 1.80 0.00 3.20
  assign ( resid 52 and name hn ) ( resid 52 and name he3 ) 2.50 0.00 3.50
  assign ( resid 52 and name hn ) ( resid 52 and name hd1 ) 2.50 0.00 3.50
  assign ( resid 54 and name hn ) ( resid 54 and name ha ) 1.80 0.00 3.20
  assign ( resid 55 and name hn ) ( resid 55 and name ha ) 1.80 0.00 3.20
  assign ( resid 56 and name hn ) ( resid 56 and name ha ) 1.80 0.00 3.20
  assign ( resid 57 and name hn ) ( resid 57 and name ha ) 1.80 0.00 3.20
  assign ( resid 58 and name hn ) ( resid 58 and name ha ) 1.80 0.00 3.20
  assign ( resid 60 and name hn ) ( resid 60 and name ha ) 1.80 0.00 3.20
  assign ( resid 61 and name hn ) ( resid 61 and name ha ) 1.80 0.00 3.20
  assign ( resid 62 and name hn ) ( resid 62 and name ha ) 1.80 0.00 3.20
  assign ( resid 63 and name hn ) ( resid 63 and name ha ) 1.80 0.00 3.20
  assign ( resid 64 and name hn ) ( resid 64 and name ha ) 1.80 0.00 3.20
  assign ( resid 66 and name hn ) ( resid 66 and name ha ) 1.80 0.00 1.00
  assign ( resid 67 and name hn ) ( resid 67 and name ha ) 1.80 0.00 1.00
  assign ( resid 68 and name hn ) ( resid 68 and name ha ) 1.80 0.00 3.20
  assign ( resid 3 and name ha ) ( resid 3 and name hb1 ) 1.80 0 1.00
  assign ( resid 3 and name ha ) ( resid 3 and name hb2 ) 1.80 0 1.00
  assign ( resid 4 and name ha ) ( resid 4 and name hb1 ) 1.80 0 1.00
  assign ( resid 4 and name ha ) ( resid 4 and name hb2 ) 1.80 0 3.20
  assign ( resid 5 and name ha ) ( resid 5 and name hb* ) 1.80 0 3.20
  assign ( resid 6 and name ha ) ( resid 6 and name hb1 ) 1.80 0 1.00
  assign ( resid 6 and name ha ) ( resid 6 and name hb2 ) 1.80 0 3.20
  assign ( resid 7 and name ha ) ( resid 7 and name hb1 ) 1.80 0 1.00
  assign ( resid 7 and name ha ) ( resid 7 and name hb2 ) 1.80 0 1.00
  assign ( resid 8 and name ha ) ( resid 8 and name hb1 ) 1.80 0 1.00
  assign ( resid 8 and name ha ) ( resid 8 and name hb2 ) 1.80 0 1.00
  assign ( resid 9 and name ha ) ( resid 9 and name hb1 ) 1.80 0 1.00
  assign ( resid 10 and name ha ) ( resid 10 and name hb* ) 1.80 0 1.00
  assign ( resid 12 and name ha ) ( resid 12 and name hb1 ) 1.80 0 1.00
  assign ( resid 13 and name ha ) ( resid 13 and name hb1 ) 1.80 0 1.00
  assign ( resid 13 and name ha ) ( resid 13 and name hb2 ) 1.80 0 3.20
  assign ( resid 15 and name ha ) ( resid 15 and name hb1 ) 1.80 0 1.00
  assign ( resid 15 and name ha ) ( resid 15 and name hb2 ) 1.80 0 1.00
  assign ( resid 16 and name ha ) ( resid 16 and name hb* ) 1.80 0 1.00
  assign ( resid 17 and name ha ) ( resid 17 and name hb* ) 1.80 0 1.00
  assign ( resid 18 and name ha ) ( resid 18 and name hb ) 1.80 0 1.00
  assign ( resid 19 and name ha ) ( resid 19 and name hb1 ) 1.80 0 1.00
  assign ( resid 19 and name ha ) ( resid 19 and name hb2 ) 1.80 0 1.00
  assign ( resid 20 and name ha ) ( resid 20 and name hb1 ) 1.80 0 1.00
  assign ( resid 20 and name ha ) ( resid 20 and name hb2 ) 1.80 0 3.20
  assign ( resid 21 and name ha ) ( resid 21 and name hb* ) 1.80 0 4.20
  assign ( resid 23 and name ha ) ( resid 23 and name hb1 ) 1.80 0 1.00
  assign ( resid 23 and name ha ) ( resid 23 and name hb2 ) 1.80 0 1.00
  assign ( resid 25 and name ha ) ( resid 25 and name hb* ) 1.80 0 2.00
  assign ( resid 26 and name ha ) ( resid 26 and name hb1 ) 1.80 0 3.20
  assign ( resid 26 and name ha ) ( resid 26 and name hb2 ) 1.80 0 1.00
  assign ( resid 27 and name ha ) ( resid 27 and name hb1 ) 1.80 0 1.00
  assign ( resid 27 and name ha ) ( resid 27 and name hb2 ) 1.80 0 1.00
  assign ( resid 29 and name ha ) ( resid 29 and name hb1 ) 1.80 0 3.20
  assign ( resid 29 and name ha ) ( resid 29 and name hb2 ) 1.80 0 3.20
  assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 1.80 0 1.00
  assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 1.80 0 1.00
  assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 1.80 0 1.00
  assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 1.80 0 1.00
  assign ( resid 33 and name ha ) ( resid 33 and name hb1 ) 1.80 0 3.20
  assign ( resid 33 and name ha ) ( resid 33 and name hb2 ) 1.80 0 3.20
  assign ( resid 34 and name ha ) ( resid 34 and name hb1 ) 1.80 0 1.00
  assign ( resid 34 and name ha ) ( resid 34 and name hb2 ) 1.80 0 1.00
  assign ( resid 36 and name hb1 ) ( resid 36 and name hb2 ) 1.80 0 1.00
  assign ( resid 37 and name ha ) ( resid 37 and name hb1 ) 1.80 0 3.20
  assign ( resid 37 and name ha ) ( resid 37 and name hb2 ) 1.80 0 3.20
  assign ( resid 38 and name ha ) ( resid 38 and name hb1 ) 1.80 0 3.20
  assign ( resid 38 and name ha ) ( resid 38 and name hb2 ) 1.80 0 3.20
  assign ( resid 39 and name ha ) ( resid 39 and name hb1 ) 1.80 0 1.00
  assign ( resid 39 and name ha ) ( resid 39 and name hb2 ) 1.80 0 1.00
  assign ( resid 40 and name ha ) ( resid 40 and name hb1 ) 1.80 0 1.00
  assign ( resid 40 and name ha ) ( resid 40 and name hb2 ) 1.80 0 1.00
  assign ( resid 41 and name ha ) ( resid 41 and name hb* ) 1.80 0 1.00
  assign ( resid 43 and name ha ) ( resid 43 and name hb* ) 1.80 0 2.00
  assign ( resid 44 and name ha ) ( resid 44 and name hb ) 1.80 0 1.00
  assign ( resid 45 and name ha ) ( resid 45 and name hb1 ) 1.80 0 1.00
  assign ( resid 45 and name ha ) ( resid 45 and name hb2 ) 1.80 0 1.00
  assign ( resid 46 and name ha ) ( resid 46 and name hb* ) 1.80 0 2.00
  assign ( resid 47 and name ha ) ( resid 47 and name hb ) 1.80 0 1.00
  assign ( resid 48 and name ha ) ( resid 48 and name hb* ) 1.80 0 1.00
  assign ( resid 49 and name ha ) ( resid 49 and name hb1 ) 1.80 0 1.00
  assign ( resid 49 and name ha ) ( resid 49 and name hb2 ) 1.80 0 1.00
  assign ( resid 51 and name ha ) ( resid 51 and name hb1 ) 1.80 0 1.00
  assign ( resid 51 and name ha ) ( resid 51 and name hb2 ) 1.80 0 1.00
  assign ( resid 52 and name ha ) ( resid 52 and name hb1 ) 1.80 0 3.20
  assign ( resid 52 and name ha ) ( resid 52 and name hb2 ) 1.80 0 3.20
  assign ( resid 53 and name ha ) ( resid 53 and name hb1 ) 1.80 0 2.00
  assign ( resid 53 and name ha ) ( resid 53 and name hb2 ) 1.80 0 2.00
  assign ( resid 54 and name ha ) ( resid 54 and name hb1 ) 1.80 0 1.00
  assign ( resid 54 and name ha ) ( resid 54 and name hb2 ) 1.80 0 1.00
  assign ( resid 55 and name ha ) ( resid 55 and name hb1 ) 1.80 0 1.00
  assign ( resid 55 and name ha ) ( resid 55 and name hb2 ) 1.80 0 1.00
  assign ( resid 56 and name ha ) ( resid 56 and name hb1 ) 1.80 0 3.20
  assign ( resid 56 and name ha ) ( resid 56 and name hb2 ) 1.80 0 1.00
  assign ( resid 57 and name ha ) ( resid 57 and name hb1 ) 1.80 0 3.20
  assign ( resid 57 and name ha ) ( resid 57 and name hb2 ) 1.80 0 3.20
  assign ( resid 61 and name ha ) ( resid 61 and name hb2 ) 1.80 0 1.00
  assign ( resid 62 and name ha ) ( resid 62 and name hb* ) 1.80 0 1.00
  assign ( resid 63 and name ha ) ( resid 63 and name hb1 ) 1.80 0 1.00
  assign ( resid 63 and name ha ) ( resid 63 and name hb2 ) 1.80 0 1.00
  assign ( resid 64 and name ha ) ( resid 64 and name hb1 ) 1.80 0 3.20
  assign ( resid 64 and name ha ) ( resid 64 and name hb2 ) 1.80 0 3.20
  assign ( resid 65 and name ha ) ( resid 65 and name hb1 ) 1.80 0 1.00
  assign ( resid 65 and name ha ) ( resid 65 and name hb2 ) 1.80 0 3.20
  assign ( resid 67 and name ha ) ( resid 67 and name hb1 ) 1.80 0 1.00
  assign ( resid 67 and name ha ) ( resid 67 and name hb2 ) 1.80 0 1.00
  assign ( resid 68 and name ha ) ( resid 68 and name hb1 ) 1.80 0 3.20
  assign ( resid 68 and name ha ) ( resid 68 and name hb2 ) 1.80 0 3.20
  
restraints 
 
  dihedral 

reset
assign (resid 2 and name c) (resid 3 and name n) (resid 3 and name ca) (resid 3 and name c) 1.0 -120.0 60.0 2
assign (resid 3 and name c) (resid 4 and name n) (resid 4 and name ca) (resid 4 and name c) 1.0 -120.0 60.0 2
!assign (resid 4 and name c) (resid 5 and name n) (resid 5 and name ca) (resid 5 and name c) 1.0 -120.0 60.0 2
!assign (resid 5 and name c) (resid 6 and name n) (resid 6 and name ca) (resid 6 and name c) 1.0 -120.0 40.0 2
!assign (resid 8 and name c) (resid 9 and name n) (resid 9 and name ca) (resid 9 and name c) 1.0 -120.0 40.0 2
assign (resid 9 and name c) (resid 10 and name n) (resid 10 and name ca) (resid 10 and name c) 1.0 -120.0 40.0 2
assign (resid 10 and name c) (resid 11 and name n) (resid 11 and name ca) (resid 11 and name c) 1.0 -120.0 60.0 2
!assign (resid 11 and name c) (resid 12 and name n) (resid 12 and name ca) (resid 12 and name c) 1.0 -120.0 60.0 2
!assign (resid 12 and name c) (resid 13 and name n) (resid 13 and name ca) (resid 13 and name c) 1.0 -120.0 60.0 2
!assign (resid 13 and name c) (resid 14 and name n) (resid 14 and name ca) (resid 14 and name c) 1.0 -120.0 60.0 2
!assign (resid 14 and name c) (resid 15 and name n) (resid 15 and name ca) (resid 15 and name c) 1.0 -120.0 60.0 2
assign (resid 15 and name c) (resid 16 and name n) (resid 16 and name ca) (resid 16 and name c) 1.0 -120.0 60.0 2
assign (resid 16 and name c) (resid 17 and name n) (resid 17 and name ca) (resid 17 and name c) 1.0 -120.0 60.0 2
assign (resid 17 and name c) (resid 18 and name n) (resid 18 and name ca) (resid 18 and name c) 1.0 -120.0 60.0 2
!assign (resid 18 and name c) (resid 19 and name n) (resid 19 and name ca) (resid 19 and name c) 1.0 -120.0 60.0 2
assign (resid 19 and name c) (resid 20 and name n) (resid 20 and name ca) (resid 20 and name c) 1.0 -120.0 60.0 2
!assign (resid 20 and name c) (resid 21 and name n) (resid 21 and name ca) (resid 21 and name c) 1.0 -60.0 40.0 2
assign (resid 23 and name c) (resid 24 and name n) (resid 24 and name ca) (resid 24 and name c) 1.0 -120.0 60.0 2
assign (resid 24 and name c) (resid 25 and name n) (resid 25 and name ca) (resid 25 and name c) 1.0 -120.0 60.0 2
assign (resid 25 and name c) (resid 26 and name n) (resid 26 and name ca) (resid 26 and name c) 1.0 -120.0 60.0 2
assign (resid 26 and name c) (resid 27 and name n) (resid 27 and name ca) (resid 27 and name c) 1.0 -120.0 60.0 2
!assign (resid 27 and name c) (resid 28 and name n) (resid 28 and name ca) (resid 28 and name c) 1.0 -120.0 40.0 2
assign (resid 28 and name c) (resid 29 and name n) (resid 29 and name ca) (resid 29 and name c) 1.0 -120.0 60.0 2
assign (resid 29 and name c) (resid 30 and name n) (resid 30 and name ca) (resid 30 and name c) 1.0 -120.0 60.0 2
assign (resid 30 and name c) (resid 31 and name n) (resid 31 and name ca) (resid 31 and name c) 1.0 -120.0 60.0 2
assign (resid 31 and name c) (resid 32 and name n) (resid 32 and name ca) (resid 32 and name c) 1.0 -120.0 40.0 2
assign (resid 32 and name c) (resid 33 and name n) (resid 33 and name ca) (resid 33 and name c) 1.0 -120.0 40.0 2
assign (resid 33 and name c) (resid 34 and name n) (resid 34 and name ca) (resid 34 and name c) 1.0 -120.0 60.0 2
assign (resid 34 and name c) (resid 35 and name n) (resid 35 and name ca) (resid 35 and name c) 1.0 -120.0 60.0 2
!assign (resid 35 and name c) (resid 36 and name n) (resid 36 and name ca) (resid 36 and name c) 1.0 -120.0 60.0 2
assign (resid 36 and name c) (resid 37 and name n) (resid 37 and name ca) (resid 37 and name c) 1.0 -120.0 40.0 2
!assign (resid 37 and name c) (resid 38 and name n) (resid 38 and name ca) (resid 38 and name c) 1.0 -120.0 40.0 2
!assign (resid 38 and name c) (resid 39 and name n) (resid 39 and name ca) (resid 39 and name c) 1.0 -120.0 60.0 2
assign (resid 39 and name c) (resid 40 and name n) (resid 40 and name ca) (resid 40 and name c) 1.0 -60.0 40.0 2
assign (resid 40 and name c) (resid 41 and name n) (resid 41 and name ca) (resid 41 and name c) 1.0 -60.0 40.0 2
!assign (resid 41 and name c) (resid 42 and name n) (resid 42 and name ca) (resid 42 and name c) 1.0 -120.0 40.0 2
assign (resid 42 and name c) (resid 43 and name n) (resid 43 and name ca) (resid 43 and name c) 1.0 -120.0 40.0 2
assign (resid 43 and name c) (resid 44 and name n) (resid 44 and name ca) (resid 44 and name c) 1.0 -120.0 40.0 2
assign (resid 44 and name c) (resid 45 and name n) (resid 45 and name ca) (resid 45 and name c) 1.0 -120.0 40.0 2
assign (resid 45 and name c) (resid 46 and name n) (resid 46 and name ca) (resid 46 and name c) 1.0 -120.0 60.0 2
assign (resid 46 and name c) (resid 47 and name n) (resid 47 and name ca) (resid 47 and name c) 1.0 -120.0 60.0 2
assign (resid 48 and name c) (resid 49 and name n) (resid 49 and name ca) (resid 49 and name c) 1.0 -120.0 60.0 2
assign (resid 49 and name c) (resid 50 and name n) (resid 50 and name ca) (resid 50 and name c) 1.0 -120.0 60.0 2
!assign (resid 51 and name c) (resid 52 and name n) (resid 52 and name ca) (resid 52 and name c) 1.0 -120.0 60.0 2
assign (resid 52 and name c) (resid 53 and name n) (resid 53 and name ca) (resid 53 and name c) 1.0 -120.0 60.0 2
assign (resid 53 and name c) (resid 54 and name n) (resid 54 and name ca) (resid 54 and name c) 1.0 -120.0 60.0 2
assign (resid 54 and name c) (resid 55 and name n) (resid 55 and name ca) (resid 55 and name c) 1.0 -120.0 40.0 2
!assign (resid 56 and name c) (resid 57 and name n) (resid 57 and name ca) (resid 57 and name c) 1.0 -120.0 60.0 2
assign (resid 57 and name c) (resid 58 and name n) (resid 58 and name ca) (resid 58 and name c) 1.0 -120.0 60.0 2
assign (resid 58 and name c) (resid 59 and name n) (resid 59 and name ca) (resid 59 and name c) 1.0 -120.0 60.0 2
assign (resid 59 and name c) (resid 60 and name n) (resid 60 and name ca) (resid 60 and name c) 1.0 -120.0 40.0 2
assign (resid 60 and name c) (resid 61 and name n) (resid 61 and name ca) (resid 61 and name c) 1.0 -120.0 60.0 2
assign (resid 61 and name c) (resid 62 and name n) (resid 62 and name ca) (resid 62 and name c) 1.0 -120.0 60.0 2
assign (resid 62 and name c) (resid 63 and name n) (resid 63 and name ca) (resid 63 and name c) 1.0 -120.0 60.0 2
assign (resid 63 and name c) (resid 64 and name n) (resid 64 and name ca) (resid 64 and name c) 1.0 -120.0 60.0 2
assign (resid 65 and name c) (resid 66 and name n) (resid 66 and name ca) (resid 66 and name c) 1.0 -120.0 60.0 2
assign (resid 66 and name c) (resid 67 and name n) (resid 67 and name ca) (resid 67 and name c) 1.0 -120.0 60.0 2
assign (resid 67 and name c) (resid 68 and name n) (resid 68 and name ca) (resid 68 and name c) 1.0 -120.0 40.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1 -12.811 -15.049   2.357
    2   2H    GLY   1          2HT       GLY   1 -13.742 -13.721   1.851
    3   3H    GLY   1          3HT       GLY   1 -13.216 -13.829   3.463
    4   1HA   GLY   1          1HA       GLY   1 -10.964 -13.482   2.863
    5   2HA   GLY   1          2HA       GLY   1 -11.372 -13.623   1.151
    6    H    LYS   2           H        LYS   2 -10.505 -11.457   0.822
    7    HA   LYS   2           HA       LYS   2 -12.534  -9.378   1.370
    8   1HB   LYS   2          2HB       LYS   2  -9.986  -9.556   2.769
    9   2HB   LYS   2          1HB       LYS   2 -10.124  -8.046   1.868
   10   1HG   LYS   2          2HG       LYS   2 -12.622  -8.227   2.960
   11   2HG   LYS   2          1HG       LYS   2 -11.645  -8.975   4.224
   12   1HD   LYS   2          2HD       LYS   2 -10.246  -7.035   4.412
   13   2HD   LYS   2          1HD       LYS   2 -10.942  -6.319   2.957
   14   1HE   LYS   2          2HE       LYS   2 -12.425  -5.267   4.289
   15   2HE   LYS   2          1HE       LYS   2 -13.140  -6.845   4.617
   16   1HZ   LYS   2          1HZ       LYS   2 -11.639  -7.129   6.464
   17   2HZ   LYS   2          2HZ       LYS   2 -12.502  -5.676   6.649
   18   3HZ   LYS   2          3HZ       LYS   2 -10.883  -5.648   6.130
   19    H    GLU   3           H        GLU   3 -12.896  -8.515  -0.608
   20    HA   GLU   3           HA       GLU   3 -10.557  -8.210  -2.454
   21   1HB   GLU   3          2HB       GLU   3 -12.161  -8.437  -4.314
   22   2HB   GLU   3          1HB       GLU   3 -12.198  -9.862  -3.275
   23   1HG   GLU   3          2HG       GLU   3 -14.166  -8.931  -2.090
   24   2HG   GLU   3          1HG       GLU   3 -14.145  -7.539  -3.173
   25    H    CYS   4           H        CYS   4 -11.012  -6.197  -0.626
   26    HA   CYS   4           HA       CYS   4 -12.720  -4.171  -1.895
   27   1HB   CYS   4          2HB       CYS   4 -11.274  -4.409   0.670
   28   2HB   CYS   4          1HB       CYS   4 -11.497  -2.784   0.031
   29    H    ASP   5           H        ASP   5 -11.169  -4.535  -3.859
   30    HA   ASP   5           HA       ASP   5  -8.599  -3.838  -4.246
   31   1HB   ASP   5          2HB       ASP   5 -10.371  -4.137  -6.036
   32   2HB   ASP   5          1HB       ASP   5 -10.773  -2.434  -5.815
   33    H    CYS   6           H        CYS   6 -11.118  -1.457  -3.408
   34    HA   CYS   6           HA       CYS   6  -8.886   0.450  -2.831
   35   1HB   CYS   6          2HB       CYS   6 -10.102   2.257  -3.687
   36   2HB   CYS   6          1HB       CYS   6 -10.512   0.970  -4.813
   37    H    SER   7           H        SER   7  -9.749   2.234  -1.232
   38    HA   SER   7           HA       SER   7 -11.217   0.797   0.941
   39   1HB   SER   7          2HB       SER   7 -10.041   2.504   2.435
   40   2HB   SER   7          1HB       SER   7  -9.003   1.290   1.691
   41    HG   SER   7           HG       SER   7  -8.029   3.209   1.291
   42    H    SER   8           H        SER   8 -11.310   3.448  -1.227
   43    HA   SER   8           HA       SER   8 -13.223   4.962   0.446
   44   1HB   SER   8          2HB       SER   8 -11.371   5.655  -1.584
   45   2HB   SER   8          1HB       SER   8 -12.978   6.018  -2.203
   46    HG   SER   8           HG       SER   8 -13.345   7.326  -0.469
   47    HA   PRO   9           HA       PRO   9 -16.525   2.823  -1.653
   48   1HB   PRO   9          2HB       PRO   9 -18.557   4.102  -0.314
   49   2HB   PRO   9          1HB       PRO   9 -17.612   2.772   0.380
   50   1HG   PRO   9          2HG       PRO   9 -17.478   5.687   0.991
   51   2HG   PRO   9          1HG       PRO   9 -17.053   4.304   2.014
   52   1HD   PRO   9          2HD       PRO   9 -15.229   5.962   0.611
   53   2HD   PRO   9          1HD       PRO   9 -14.853   4.408   1.384
   54    H    GLU  10           H        GLU  10 -15.485   5.893  -2.161
   55    HA   GLU  10           HA       GLU  10 -17.757   6.509  -4.013
   56   1HB   GLU  10          2HB       GLU  10 -17.017   8.051  -1.880
   57   2HB   GLU  10          1HB       GLU  10 -16.024   8.750  -3.158
   58   1HG   GLU  10          2HG       GLU  10 -18.262   8.668  -4.544
   59   2HG   GLU  10          1HG       GLU  10 -19.015   8.607  -2.950
   60    H    ASN  11           H        ASN  11 -14.648   5.451  -3.905
   61    HA   ASN  11           HA       ASN  11 -13.376   7.088  -5.891
   62   1HB   ASN  11          2HB       ASN  11 -12.603   5.002  -4.215
   63   2HB   ASN  11          1HB       ASN  11 -12.458   4.322  -5.836
   64   1HD2  ASN  11          1HD2      ASN  11 -10.162   4.431  -6.018
   65   2HD2  ASN  11          2HD2      ASN  11  -9.300   5.895  -6.016
   66    HA   PRO  12           HA       PRO  12 -15.417   5.411  -9.446
   67   1HB   PRO  12          2HB       PRO  12 -13.794   6.600 -11.316
   68   2HB   PRO  12          1HB       PRO  12 -15.053   7.468 -10.423
   69   1HG   PRO  12          2HG       PRO  12 -12.096   7.580 -10.081
   70   2HG   PRO  12          1HG       PRO  12 -13.320   8.795  -9.673
   71   1HD   PRO  12          2HD       PRO  12 -12.032   7.029  -7.856
   72   2HD   PRO  12          1HD       PRO  12 -13.438   8.057  -7.509
   73    H    CYS  13           H        CYS  13 -12.059   4.874  -8.691
   74    HA   CYS  13           HA       CYS  13 -11.535   3.095 -10.945
   75   1HB   CYS  13          2HB       CYS  13 -10.047   3.718  -8.394
   76   2HB   CYS  13          1HB       CYS  13  -9.492   2.483  -9.516
   77    H    CYS  14           H        CYS  14 -12.909   2.727  -7.758
   78    HA   CYS  14           HA       CYS  14 -12.850  -0.230  -8.199
   79   1HB   CYS  14          2HB       CYS  14 -13.083  -0.474  -5.756
   80   2HB   CYS  14          1HB       CYS  14 -11.619   0.408  -6.188
   81    H    ASP  15           H        ASP  15 -14.745  -1.081  -6.517
   82    HA   ASP  15           HA       ASP  15 -17.234   0.367  -7.280
   83   1HB   ASP  15          2HB       ASP  15 -16.464  -1.803  -8.637
   84   2HB   ASP  15          1HB       ASP  15 -17.234  -2.593  -7.270
   85    H    ALA  16           H        ALA  16 -18.749   0.427  -5.635
   86    HA   ALA  16           HA       ALA  16 -17.919  -0.520  -3.016
   87   1HB   ALA  16          1HB       ALA  16 -20.310   0.392  -2.445
   88   2HB   ALA  16          2HB       ALA  16 -20.246   1.054  -4.078
   89   3HB   ALA  16          3HB       ALA  16 -19.036   1.529  -2.886
   90    H    ALA  17           H        ALA  17 -20.217  -1.512  -5.489
   91    HA   ALA  17           HA       ALA  17 -21.770  -3.311  -3.914
   92   1HB   ALA  17          1HB       ALA  17 -21.422  -4.381  -6.547
   93   2HB   ALA  17          2HB       ALA  17 -21.525  -2.626  -6.671
   94   3HB   ALA  17          3HB       ALA  17 -22.821  -3.532  -5.891
   95    H    THR  18           H        THR  18 -18.672  -3.713  -5.582
   96    HA   THR  18           HA       THR  18 -18.412  -6.357  -4.210
   97    HB   THR  18           HB       THR  18 -18.684  -6.622  -6.666
   98    HG1  THR  18           HG1      THR  18 -17.313  -8.181  -6.479
   99   1HG2  THR  18          1HG2      THR  18 -16.623  -5.827  -8.019
  100   2HG2  THR  18          2HG2      THR  18 -16.342  -4.728  -6.669
  101   3HG2  THR  18          3HG2      THR  18 -17.842  -4.625  -7.590
  102    H    CYS  19           H        CYS  19 -17.440  -3.334  -3.931
  103    HA   CYS  19           HA       CYS  19 -15.461  -2.270  -3.185
  104   1HB   CYS  19          2HB       CYS  19 -16.018  -4.413  -1.572
  105   2HB   CYS  19          1HB       CYS  19 -14.376  -4.738  -2.060
  106    H    LYS  20           H        LYS  20 -15.233  -3.440  -5.910
  107    HA   LYS  20           HA       LYS  20 -12.278  -3.760  -5.816
  108   1HB   LYS  20          2HB       LYS  20 -14.161  -5.854  -6.457
  109   2HB   LYS  20          1HB       LYS  20 -13.095  -5.526  -7.825
  110   1HG   LYS  20          2HG       LYS  20 -11.537  -5.478  -5.419
  111   2HG   LYS  20          1HG       LYS  20 -12.485  -6.965  -5.447
  112   1HD   LYS  20          2HD       LYS  20 -11.674  -7.432  -7.738
  113   2HD   LYS  20          1HD       LYS  20 -10.705  -5.959  -7.688
  114   1HE   LYS  20          2HE       LYS  20 -10.207  -7.567  -5.333
  115   2HE   LYS  20          1HE       LYS  20  -9.939  -8.518  -6.794
  116   1HZ   LYS  20          1HZ       LYS  20  -8.897  -5.840  -6.941
  117   2HZ   LYS  20          2HZ       LYS  20  -8.158  -7.316  -7.341
  118   3HZ   LYS  20          3HZ       LYS  20  -8.171  -6.779  -5.729
  119    H    LEU  21           H        LEU  21 -11.288  -3.583  -8.026
  120    HA   LEU  21           HA       LEU  21 -11.820  -1.211  -9.295
  121   1HB   LEU  21          2HB       LEU  21 -10.684  -3.775 -10.334
  122   2HB   LEU  21          1HB       LEU  21 -10.939  -2.421 -11.435
  123    HG   LEU  21           HG       LEU  21  -9.406  -2.222  -8.832
  124   1HD1  LEU  21          1HD1      LEU  21  -8.418  -2.457 -11.689
  125   2HD1  LEU  21          2HD1      LEU  21  -8.208  -3.660 -10.416
  126   3HD1  LEU  21          3HD1      LEU  21  -7.400  -2.097 -10.294
  127   1HD2  LEU  21          1HD2      LEU  21 -10.299  -0.326 -10.909
  128   2HD2  LEU  21          2HD2      LEU  21  -8.611  -0.164 -10.427
  129   3HD2  LEU  21          3HD2      LEU  21  -9.888  -0.037  -9.218
  130    H    ARG  22           H        ARG  22 -13.570  -0.432 -10.263
  131    HA   ARG  22           HA       ARG  22 -15.635  -2.277 -11.263
  132   1HB   ARG  22          2HB       ARG  22 -16.738  -0.604 -10.135
  133   2HB   ARG  22          1HB       ARG  22 -15.525   0.609 -10.517
  134   1HG   ARG  22          2HG       ARG  22 -16.364   0.749 -12.824
  135   2HG   ARG  22          1HG       ARG  22 -17.547  -0.514 -12.481
  136   1HD   ARG  22          2HD       ARG  22 -18.692   0.880 -10.890
  137   2HD   ARG  22          1HD       ARG  22 -17.411   2.091 -10.941
  138    HE   ARG  22           HE       ARG  22 -18.207   2.088 -13.531
  139   1HH1  ARG  22          1HH1      ARG  22 -19.112   4.303 -11.794
  140   2HH1  ARG  22          2HH1      ARG  22 -20.837   4.183 -11.882
  141   1HH2  ARG  22          1HH2      ARG  22 -20.811   0.944 -13.125
  142   2HH2  ARG  22          2HH2      ARG  22 -21.800   2.280 -12.639
  143    HA   PRO  23           HA       PRO  23 -14.521   0.035 -15.275
  144   1HB   PRO  23          2HB       PRO  23 -12.359   1.728 -15.236
  145   2HB   PRO  23          1HB       PRO  23 -14.016   2.248 -14.876
  146   1HG   PRO  23          2HG       PRO  23 -11.737   1.832 -13.009
  147   2HG   PRO  23          1HG       PRO  23 -13.168   2.859 -12.822
  148   1HD   PRO  23          2HD       PRO  23 -12.746   0.313 -11.634
  149   2HD   PRO  23          1HD       PRO  23 -14.263   1.235 -11.645
  150    H    GLY  24           H        GLY  24 -12.380   0.121 -16.819
  151   1HA   GLY  24          2HA       GLY  24 -11.026  -2.450 -16.338
  152   2HA   GLY  24          1HA       GLY  24 -10.925  -1.486 -17.812
  153    H    ALA  25           H        ALA  25 -10.467   0.202 -14.839
  154    HA   ALA  25           HA       ALA  25  -7.886   1.145 -15.532
  155   1HB   ALA  25          1HB       ALA  25  -8.972   0.911 -12.716
  156   2HB   ALA  25          2HB       ALA  25  -9.500   2.153 -13.850
  157   3HB   ALA  25          3HB       ALA  25  -7.818   2.096 -13.326
  158    H    GLN  26           H        GLN  26  -6.291   0.745 -13.255
  159    HA   GLN  26           HA       GLN  26  -5.860  -2.208 -13.252
  160   1HB   GLN  26          2HB       GLN  26  -4.159  -0.167 -14.349
  161   2HB   GLN  26          1HB       GLN  26  -3.336  -0.965 -13.010
  162   1HG   GLN  26          2HG       GLN  26  -2.792  -2.447 -14.689
  163   2HG   GLN  26          1HG       GLN  26  -4.342  -3.139 -14.210
  164   1HE2  GLN  26          1HE2      GLN  26  -2.632  -1.578 -16.804
  165   2HE2  GLN  26          2HE2      GLN  26  -3.933  -1.498 -17.890
  166    H    CYS  27           H        CYS  27  -6.806   0.149 -11.348
  167    HA   CYS  27           HA       CYS  27  -6.064  -1.106  -8.924
  168   1HB   CYS  27          2HB       CYS  27  -4.597   0.966  -8.152
  169   2HB   CYS  27          1HB       CYS  27  -3.865  -0.428  -8.943
  170    H    GLY  28           H        GLY  28  -6.915   0.005  -7.054
  171   1HA   GLY  28          2HA       GLY  28  -8.939   2.048  -7.819
  172   2HA   GLY  28          1HA       GLY  28  -9.049   0.995  -6.411
  173    H    GLU  29           H        GLU  29  -6.156   1.456  -5.780
  174    HA   GLU  29           HA       GLU  29  -5.666   4.232  -5.397
  175   1HB   GLU  29          2HB       GLU  29  -6.237   4.422  -2.988
  176   2HB   GLU  29          1HB       GLU  29  -7.662   4.177  -3.999
  177   1HG   GLU  29          2HG       GLU  29  -8.073   2.099  -3.147
  178   2HG   GLU  29          1HG       GLU  29  -6.360   1.708  -2.999
  179    H    GLY  30           H        GLY  30  -3.633   4.527  -4.578
  180   1HA   GLY  30          2HA       GLY  30  -2.222   2.832  -2.787
  181   2HA   GLY  30          1HA       GLY  30  -1.816   2.352  -4.433
  182    H    LEU  31           H        LEU  31   0.436   3.217  -3.904
  183    HA   LEU  31           HA       LEU  31   0.438   6.198  -3.898
  184   1HB   LEU  31          2HB       LEU  31   1.792   4.316  -2.368
  185   2HB   LEU  31          1HB       LEU  31   2.990   4.975  -3.471
  186    HG   LEU  31           HG       LEU  31   1.266   6.403  -1.489
  187   1HD1  LEU  31          1HD1      LEU  31   3.273   6.982  -0.436
  188   2HD1  LEU  31          2HD1      LEU  31   4.215   6.776  -1.913
  189   3HD1  LEU  31          3HD1      LEU  31   3.631   5.362  -1.036
  190   1HD2  LEU  31          1HD2      LEU  31   2.147   7.343  -4.075
  191   2HD2  LEU  31          2HD2      LEU  31   2.937   8.271  -2.800
  192   3HD2  LEU  31          3HD2      LEU  31   1.176   8.189  -2.869
  193    H    CYS  32           H        CYS  32   1.315   3.323  -5.577
  194    HA   CYS  32           HA       CYS  32   2.606   4.902  -7.743
  195   1HB   CYS  32          2HB       CYS  32   3.146   2.266  -6.561
  196   2HB   CYS  32          1HB       CYS  32   3.110   2.265  -8.325
  197    H    CYS  33           H        CYS  33  -0.072   5.129  -7.864
  198    HA   CYS  33           HA       CYS  33  -0.733   3.392 -10.176
  199   1HB   CYS  33          2HB       CYS  33  -1.911   2.165  -8.551
  200   2HB   CYS  33          1HB       CYS  33  -2.362   3.599  -7.640
  201    H    GLU  34           H        GLU  34  -0.972   4.884 -11.738
  202    HA   GLU  34           HA       GLU  34  -1.617   7.624 -11.337
  203   1HB   GLU  34          2HB       GLU  34  -0.876   6.014 -13.489
  204   2HB   GLU  34          1HB       GLU  34  -2.474   6.614 -13.919
  205   1HG   GLU  34          2HG       GLU  34  -1.457   8.904 -13.005
  206   2HG   GLU  34          1HG       GLU  34   0.056   8.127 -13.473
  207    H    GLN  35           H        GLN  35  -3.689   8.427 -12.809
  208    HA   GLN  35           HA       GLN  35  -5.966   7.901 -11.213
  209   1HB   GLN  35          2HB       GLN  35  -5.913   8.867 -14.089
  210   2HB   GLN  35          1HB       GLN  35  -7.232   9.090 -12.939
  211   1HG   GLN  35          2HG       GLN  35  -5.237  10.144 -11.482
  212   2HG   GLN  35          1HG       GLN  35  -4.598  10.472 -13.093
  213   1HE2  GLN  35          1HE2      GLN  35  -5.215  12.754 -11.828
  214   2HE2  GLN  35          2HE2      GLN  35  -6.707  13.391 -12.326
  215    H    CYS  36           H        CYS  36  -6.234   5.633 -11.047
  216    HA   CYS  36           HA       CYS  36  -7.253   3.601 -11.646
  217   1HB   CYS  36          2HB       CYS  36  -8.312   5.530 -13.606
  218   2HB   CYS  36          1HB       CYS  36  -8.266   3.869 -14.189
  219    H    LYS  37           H        LYS  37  -4.479   3.938 -12.127
  220    HA   LYS  37           HA       LYS  37  -4.139   1.991 -14.315
  221   1HB   LYS  37          2HB       LYS  37  -3.732   4.755 -14.780
  222   2HB   LYS  37          1HB       LYS  37  -2.130   4.022 -14.684
  223   1HG   LYS  37          2HG       LYS  37  -4.106   2.460 -16.226
  224   2HG   LYS  37          1HG       LYS  37  -3.684   4.020 -16.935
  225   1HD   LYS  37          2HD       LYS  37  -1.564   3.364 -17.424
  226   2HD   LYS  37          1HD       LYS  37  -1.383   2.493 -15.901
  227   1HE   LYS  37          2HE       LYS  37  -1.480   0.655 -17.257
  228   2HE   LYS  37          1HE       LYS  37  -3.219   0.918 -17.128
  229   1HZ   LYS  37          1HZ       LYS  37  -2.204   2.594 -19.132
  230   2HZ   LYS  37          2HZ       LYS  37  -3.296   1.301 -19.290
  231   3HZ   LYS  37          3HZ       LYS  37  -1.625   1.026 -19.419
  232    H    PHE  38           H        PHE  38  -2.235   0.761 -14.076
  233    HA   PHE  38           HA       PHE  38  -0.975   0.897 -11.431
  234   1HB   PHE  38          2HB       PHE  38  -0.971  -0.999 -13.728
  235   2HB   PHE  38          1HB       PHE  38   0.474  -0.980 -12.726
  236    HD1  PHE  38           HD1      PHE  38  -1.984  -3.055 -13.122
  237    HD2  PHE  38           HD2      PHE  38  -0.744  -0.307 -10.059
  238    HE1  PHE  38           HE1      PHE  38  -3.132  -4.439 -11.414
  239    HE2  PHE  38           HE2      PHE  38  -1.896  -1.694  -8.356
  240    HZ   PHE  38           HZ       PHE  38  -3.088  -3.757  -9.032
  241    H    SER  39           H        SER  39   0.819   2.129 -11.051
  242    HA   SER  39           HA       SER  39   2.188   3.641 -12.986
  243   1HB   SER  39          2HB       SER  39   3.190   2.544 -10.370
  244   2HB   SER  39          1HB       SER  39   4.065   3.728 -11.324
  245    HG   SER  39           HG       SER  39   2.605   5.214 -10.837
  246    H    ARG  40           H        ARG  40   4.768   3.156 -13.274
  247    HA   ARG  40           HA       ARG  40   4.822   0.559 -14.637
  248   1HB   ARG  40          2HB       ARG  40   6.271   3.100 -14.852
  249   2HB   ARG  40          1HB       ARG  40   7.281   1.677 -15.085
  250   1HG   ARG  40          2HG       ARG  40   6.011   0.930 -16.923
  251   2HG   ARG  40          1HG       ARG  40   4.627   1.934 -16.489
  252   1HD   ARG  40          2HD       ARG  40   7.302   3.089 -17.311
  253   2HD   ARG  40          1HD       ARG  40   5.995   2.784 -18.456
  254    HE   ARG  40           HE       ARG  40   4.741   4.294 -16.551
  255   1HH1  ARG  40          1HH1      ARG  40   7.462   5.364 -15.825
  256   2HH1  ARG  40          2HH1      ARG  40   7.583   6.752 -16.855
  257   1HH2  ARG  40          1HH2      ARG  40   4.999   5.760 -18.943
  258   2HH2  ARG  40          2HH2      ARG  40   6.189   6.975 -18.619
  259    H    ALA  41           H        ALA  41   6.053  -1.183 -13.907
  260    HA   ALA  41           HA       ALA  41   6.863  -1.378 -11.224
  261   1HB   ALA  41          1HB       ALA  41   8.638  -3.051 -12.576
  262   2HB   ALA  41          2HB       ALA  41   7.249  -2.945 -13.658
  263   3HB   ALA  41          3HB       ALA  41   7.033  -3.496 -11.996
  264    H    GLY  42           H        GLY  42   9.393  -1.902 -10.723
  265   1HA   GLY  42          2HA       GLY  42  11.477  -0.869 -10.386
  266   2HA   GLY  42          1HA       GLY  42  11.384  -0.402 -12.084
  267    H    LYS  43           H        LYS  43   8.905   0.487  -9.797
  268    HA   LYS  43           HA       LYS  43   9.756   3.325 -10.078
  269   1HB   LYS  43          2HB       LYS  43   7.496   2.905 -10.917
  270   2HB   LYS  43          1HB       LYS  43   7.063   2.101  -9.411
  271   1HG   LYS  43          2HG       LYS  43   6.211   4.413  -9.454
  272   2HG   LYS  43          1HG       LYS  43   7.402   4.206  -8.179
  273   1HD   LYS  43          2HD       LYS  43   9.149   5.121  -9.722
  274   2HD   LYS  43          1HD       LYS  43   7.882   5.426 -10.911
  275   1HE   LYS  43          2HE       LYS  43   7.241   6.472  -8.246
  276   2HE   LYS  43          1HE       LYS  43   8.680   7.206  -8.955
  277   1HZ   LYS  43          1HZ       LYS  43   6.241   8.049  -9.492
  278   2HZ   LYS  43          2HZ       LYS  43   6.373   6.865 -10.704
  279   3HZ   LYS  43          3HZ       LYS  43   7.501   8.135 -10.625
  280    H    ILE  44           H        ILE  44   9.210   4.620  -7.931
  281    HA   ILE  44           HA       ILE  44  10.127   2.848  -5.733
  282    HB   ILE  44           HB       ILE  44  10.714   5.593  -6.498
  283   1HG1  ILE  44          2HG1      ILE  44  12.398   3.847  -6.278
  284   2HG1  ILE  44          1HG1      ILE  44  12.707   5.100  -5.075
  285   1HG2  ILE  44          1HG2      ILE  44   9.770   5.011  -3.701
  286   2HG2  ILE  44          2HG2      ILE  44   9.444   6.424  -4.704
  287   3HG2  ILE  44          3HG2      ILE  44  11.038   6.206  -3.980
  288   1HD1  ILE  44          1HD1      ILE  44  12.862   3.158  -3.783
  289   2HD1  ILE  44          2HD1      ILE  44  11.585   2.340  -4.681
  290   3HD1  ILE  44          3HD1      ILE  44  11.177   3.620  -3.538
  291    H    CYS  45           H        CYS  45   8.288   1.983  -4.843
  292    HA   CYS  45           HA       CYS  45   5.877   3.605  -4.419
  293   1HB   CYS  45          2HB       CYS  45   6.323   0.903  -4.715
  294   2HB   CYS  45          1HB       CYS  45   6.052   1.056  -2.991
  295    H    ARG  46           H        ARG  46   8.761   3.644  -2.921
  296    HA   ARG  46           HA       ARG  46   7.800   4.999  -0.611
  297   1HB   ARG  46          2HB       ARG  46   7.426   2.294  -0.319
  298   2HB   ARG  46          1HB       ARG  46   9.010   2.523   0.426
  299   1HG   ARG  46          2HG       ARG  46   7.304   2.830   2.128
  300   2HG   ARG  46          1HG       ARG  46   8.039   4.396   1.781
  301   1HD   ARG  46          2HD       ARG  46   6.097   4.603   0.023
  302   2HD   ARG  46          1HD       ARG  46   5.321   3.371   1.014
  303    HE   ARG  46           HE       ARG  46   6.098   5.261   2.864
  304   1HH1  ARG  46          1HH2      ARG  46   3.244   4.703   1.758
  305   2HH1  ARG  46          2HH2      ARG  46   2.751   6.317   1.369
  306   1HH2  ARG  46          1HH1      ARG  46   5.956   7.626   1.557
  307   2HH2  ARG  46          2HH1      ARG  46   4.285   7.972   1.254
  308    H    ILE  47           H        ILE  47   9.829   4.549   1.208
  309    HA   ILE  47           HA       ILE  47  12.385   4.611  -0.268
  310    HB   ILE  47           HB       ILE  47  11.662   6.929  -0.430
  311   1HG1  ILE  47          2HG1      ILE  47  13.531   7.103   1.889
  312   2HG1  ILE  47          1HG1      ILE  47  14.063   6.147   0.505
  313   1HG2  ILE  47          1HG2      ILE  47  11.551   7.125   2.570
  314   2HG2  ILE  47          2HG2      ILE  47  10.134   6.570   1.678
  315   3HG2  ILE  47          3HG2      ILE  47  10.806   8.169   1.358
  316   1HD1  ILE  47          1HD1      ILE  47  13.802   9.049   0.764
  317   2HD1  ILE  47          2HD1      ILE  47  12.983   8.422  -0.666
  318   3HD1  ILE  47          3HD1      ILE  47  14.701   8.106  -0.425
  319    H    ALA  48           H        ALA  48  13.071   2.843   1.005
  320    HA   ALA  48           HA       ALA  48  12.738   2.587   3.799
  321   1HB   ALA  48          1HB       ALA  48  14.523   0.939   3.682
  322   2HB   ALA  48          2HB       ALA  48  15.094   1.611   2.152
  323   3HB   ALA  48          3HB       ALA  48  13.538   0.798   2.231
  324    H    ARG  49           H        ARG  49  15.231   2.644   5.164
  325    HA   ARG  49           HA       ARG  49  16.094   5.475   4.684
  326   1HB   ARG  49          2HB       ARG  49  16.096   4.414   7.432
  327   2HB   ARG  49          1HB       ARG  49  15.833   6.060   6.877
  328   1HG   ARG  49          2HG       ARG  49  13.711   4.668   5.750
  329   2HG   ARG  49          1HG       ARG  49  13.884   3.919   7.338
  330   1HD   ARG  49          2HD       ARG  49  13.422   6.835   6.695
  331   2HD   ARG  49          1HD       ARG  49  12.415   5.763   7.668
  332    HE   ARG  49           HE       ARG  49  14.320   5.765   9.342
  333   1HH1  ARG  49          1HH1      ARG  49  15.058   7.793   6.760
  334   2HH1  ARG  49          2HH1      ARG  49  15.475   9.165   7.732
  335   1HH2  ARG  49          1HH2      ARG  49  14.405   7.720  10.698
  336   2HH2  ARG  49          2HH2      ARG  49  15.105   9.124   9.962
  337    H    GLY  50           H        GLY  50  17.218   2.333   5.624
  338   1HA   GLY  50          2HA       GLY  50  19.974   3.394   5.774
  339   2HA   GLY  50          1HA       GLY  50  19.443   2.016   6.725
  340    H    ASP  51           H        ASP  51  19.520  -0.029   5.774
  341    HA   ASP  51           HA       ASP  51  20.304  -0.178   2.912
  342   1HB   ASP  51          2HB       ASP  51  21.805  -0.988   5.206
  343   2HB   ASP  51          1HB       ASP  51  21.370  -2.419   4.273
  344    H    TRP  52           H        TRP  52  19.109  -1.634   1.720
  345    HA   TRP  52           HA       TRP  52  17.970  -4.082   2.496
  346   1HB   TRP  52          2HB       TRP  52  15.490  -2.953   2.749
  347   2HB   TRP  52          1HB       TRP  52  16.502  -3.365   4.122
  348    HD1  TRP  52           HD1      TRP  52  15.985  -1.461   5.714
  349    HE1  TRP  52           HE1      TRP  52  16.315   1.070   5.655
  350    HE3  TRP  52           HE3      TRP  52  17.142  -0.802   0.767
  351    HZ2  TRP  52           HZ2      TRP  52  17.026   3.119   3.728
  352    HZ3  TRP  52           HZ3      TRP  52  17.647   1.430  -0.122
  353    HH2  TRP  52           HH2      TRP  52  17.579   3.404   1.373
  354    H    ASN  53           H        ASN  53  15.364  -3.826   1.317
  355    HA   ASN  53           HA       ASN  53  16.099  -3.102  -1.481
  356   1HB   ASN  53          2HB       ASN  53  14.703  -5.349  -0.248
  357   2HB   ASN  53          1HB       ASN  53  13.765  -4.600  -1.537
  358   1HD2  ASN  53          1HD2      ASN  53  14.772  -4.514  -3.722
  359   2HD2  ASN  53          2HD2      ASN  53  16.034  -5.576  -4.123
  360    H    ASP  54           H        ASP  54  15.098  -1.214  -2.137
  361    HA   ASP  54           HA       ASP  54  13.098   0.136  -0.615
  362   1HB   ASP  54          2HB       ASP  54  14.460   0.507  -3.141
  363   2HB   ASP  54          1HB       ASP  54  12.761   0.960  -3.275
  364    H    ASP  55           H        ASP  55  10.842   0.649  -1.598
  365    HA   ASP  55           HA       ASP  55   9.534  -1.935  -2.147
  366   1HB   ASP  55          2HB       ASP  55   8.745   0.663  -1.066
  367   2HB   ASP  55          1HB       ASP  55   7.548  -0.022  -2.163
  368    H    ARG  56           H        ARG  56  10.930  -1.561  -4.346
  369    HA   ARG  56           HA       ARG  56  10.169   0.174  -6.347
  370   1HB   ARG  56          2HB       ARG  56  11.769  -2.021  -6.253
  371   2HB   ARG  56          1HB       ARG  56  10.441  -2.631  -7.235
  372   1HG   ARG  56          2HG       ARG  56  12.033  -1.655  -8.743
  373   2HG   ARG  56          1HG       ARG  56  10.663  -0.546  -8.652
  374   1HD   ARG  56          2HD       ARG  56  13.103   0.398  -8.425
  375   2HD   ARG  56          1HD       ARG  56  11.834   1.008  -7.361
  376    HE   ARG  56           HE       ARG  56  12.820  -0.213  -5.543
  377   1HH1  ARG  56          1HH1      ARG  56  13.862  -1.763  -8.340
  378   2HH1  ARG  56          2HH1      ARG  56  15.474  -2.064  -7.782
  379   1HH2  ARG  56          1HH2      ARG  56  15.121  -0.152  -4.910
  380   2HH2  ARG  56          2HH2      ARG  56  16.186  -1.152  -5.840
  381    H    CYS  57           H        CYS  57   8.017   0.693  -6.671
  382    HA   CYS  57           HA       CYS  57   5.762  -0.918  -6.353
  383   1HB   CYS  57          2HB       CYS  57   5.891   0.832  -8.798
  384   2HB   CYS  57          1HB       CYS  57   4.552   0.586  -7.685
  385    H    THR  58           H        THR  58   4.934  -2.656  -7.449
  386    HA   THR  58           HA       THR  58   6.594  -3.811  -9.588
  387    HB   THR  58           HB       THR  58   5.523  -5.824  -9.135
  388    HG1  THR  58           HG1      THR  58   3.399  -5.931  -8.431
  389   1HG2  THR  58          1HG2      THR  58   5.437  -6.065  -6.780
  390   2HG2  THR  58          2HG2      THR  58   4.871  -4.411  -6.548
  391   3HG2  THR  58          3HG2      THR  58   6.537  -4.713  -7.041
  392    H    GLY  59           H        GLY  59   5.460  -4.695 -11.565
  393   1HA   GLY  59          1HA       GLY  59   3.978  -2.580 -12.865
  394   2HA   GLY  59          2HA       GLY  59   4.323  -4.164 -13.554
  395    H    GLN  60           H        GLN  60   2.988  -4.897 -10.674
  396    HA   GLN  60           HA       GLN  60   0.190  -4.740 -11.718
  397   1HB   GLN  60          2HB       GLN  60   1.678  -7.100 -10.566
  398   2HB   GLN  60          1HB       GLN  60  -0.083  -7.020 -10.523
  399   1HG   GLN  60          2HG       GLN  60   0.729  -6.279 -13.148
  400   2HG   GLN  60          1HG       GLN  60   1.609  -7.747 -12.722
  401   1HE2  GLN  60          1HE2      GLN  60  -1.746  -6.429 -12.454
  402   2HE2  GLN  60          2HE2      GLN  60  -2.508  -7.908 -12.790
  403    H    SER  61           H        SER  61   1.974  -3.358  -9.551
  404    HA   SER  61           HA       SER  61   0.049  -3.771  -7.297
  405   1HB   SER  61          2HB       SER  61   2.248  -4.447  -6.584
  406   2HB   SER  61          1HB       SER  61   2.978  -2.998  -7.270
  407    HG   SER  61           HG       SER  61   2.635  -2.848  -4.997
  408    H    ALA  62           H        ALA  62  -0.693  -1.867  -6.213
  409    HA   ALA  62           HA       ALA  62  -0.163   0.680  -7.703
  410   1HB   ALA  62          1HB       ALA  62  -2.598   1.145  -6.652
  411   2HB   ALA  62          2HB       ALA  62  -2.705  -0.606  -6.838
  412   3HB   ALA  62          3HB       ALA  62  -2.375   0.410  -8.240
  413    H    ASP  63           H        ASP  63  -0.636  -0.882  -4.577
  414    HA   ASP  63           HA       ASP  63  -0.223   1.738  -3.225
  415   1HB   ASP  63          2HB       ASP  63  -0.619  -0.906  -1.874
  416   2HB   ASP  63          1HB       ASP  63  -0.844   0.706  -1.207
  417    H    CYS  64           H        CYS  64   1.191   1.006  -1.001
  418    HA   CYS  64           HA       CYS  64   3.682  -0.211  -2.101
  419   1HB   CYS  64          2HB       CYS  64   3.611   2.252  -0.339
  420   2HB   CYS  64          1HB       CYS  64   5.009   1.569  -1.186
  421    HA   PRO  65           HA       PRO  65   3.391  -2.487   1.643
  422   1HB   PRO  65          2HB       PRO  65   5.672  -3.933   1.171
  423   2HB   PRO  65          1HB       PRO  65   4.119  -4.303   0.422
  424   1HG   PRO  65          2HG       PRO  65   6.553  -3.071  -0.768
  425   2HG   PRO  65          1HG       PRO  65   5.243  -3.960  -1.561
  426   1HD   PRO  65          2HD       PRO  65   5.576  -1.151  -1.530
  427   2HD   PRO  65          1HD       PRO  65   4.128  -2.035  -2.057
  428    H    ARG  66           H        ARG  66   5.804  -3.347   2.933
  429    HA   ARG  66           HA       ARG  66   7.538  -1.059   3.356
  430   1HB   ARG  66          2HB       ARG  66   6.913  -0.838   5.797
  431   2HB   ARG  66          1HB       ARG  66   5.685  -0.252   4.675
  432   1HG   ARG  66          2HG       ARG  66   4.754  -2.697   4.828
  433   2HG   ARG  66          1HG       ARG  66   5.692  -2.768   6.320
  434   1HD   ARG  66          2HD       ARG  66   3.801  -0.484   5.765
  435   2HD   ARG  66          1HD       ARG  66   3.239  -1.983   6.505
  436    HE   ARG  66           HE       ARG  66   4.876  -1.535   8.354
  437   1HH1  ARG  66          1HH2      ARG  66   2.728   0.621   8.262
  438   2HH1  ARG  66          2HH2      ARG  66   3.684   2.056   8.427
  439   1HH2  ARG  66          1HH1      ARG  66   6.675   0.471   7.669
  440   2HH2  ARG  66          2HH1      ARG  66   5.920   1.971   8.093
  441    H    TYR  67           H        TYR  67   9.489  -1.971   3.759
  442    HA   TYR  67           HA       TYR  67   9.552  -4.670   4.953
  443   1HB   TYR  67          2HB       TYR  67  11.325  -3.168   3.113
  444   2HB   TYR  67          1HB       TYR  67  12.069  -4.366   4.166
  445    HD1  TYR  67           HD1      TYR  67   9.960  -6.406   4.379
  446    HD2  TYR  67           HD2      TYR  67  11.276  -4.147   0.970
  447    HE1  TYR  67           HE1      TYR  67   9.162  -8.209   2.875
  448    HE2  TYR  67           HE2      TYR  67  10.479  -5.951  -0.534
  449    HH   TYR  67           HH       TYR  67   9.640  -8.009  -0.648
  450    H    HIS  68           HN       HIS  68  10.897  -1.418   5.277
  451    HA   HIS  68           HA       HIS  68  11.619  -2.100   8.090
  452   1HB   HIS  68          2HB       HIS  68  13.645  -2.103   6.546
  453   2HB   HIS  68          1HB       HIS  68  13.354  -0.383   6.298
  454    HD1  HIS  68           HD1      HIS  68  12.370  -1.195   9.659
  455    HD2  HIS  68           HD2      HIS  68  16.008  -0.391   7.791
  456    HE1  HIS  68           HE1      HIS  68  14.000  -0.586  11.500
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1 -14.087 -15.179  -9.052
    2   2H    GLY   1          2HT       GLY   1 -15.344 -14.134  -9.515
    3   3H    GLY   1          3HT       GLY   1 -14.468 -13.834  -8.092
    4   1HA   GLY   1          1HA       GLY   1 -12.986 -13.969 -10.613
    5   2HA   GLY   1          2HA       GLY   1 -13.955 -12.530 -10.290
    6    H    LYS   2           H        LYS   2 -13.304 -11.124  -8.624
    7    HA   LYS   2           HA       LYS   2 -10.814 -11.874  -7.160
    8   1HB   LYS   2          2HB       LYS   2 -10.046  -9.489  -7.503
    9   2HB   LYS   2          1HB       LYS   2 -10.076 -10.464  -8.973
   10   1HG   LYS   2          2HG       LYS   2 -12.649  -9.195  -8.500
   11   2HG   LYS   2          1HG       LYS   2 -11.352  -8.002  -8.592
   12   1HD   LYS   2          2HD       LYS   2 -10.584  -9.043 -10.720
   13   2HD   LYS   2          1HD       LYS   2 -11.951 -10.155 -10.642
   14   1HE   LYS   2          2HE       LYS   2 -12.575  -8.317 -12.087
   15   2HE   LYS   2          1HE       LYS   2 -13.482  -8.157 -10.582
   16   1HZ   LYS   2          1HZ       LYS   2 -12.459  -6.061 -11.353
   17   2HZ   LYS   2          2HZ       LYS   2 -10.925  -6.759 -11.146
   18   3HZ   LYS   2          3HZ       LYS   2 -11.942  -6.527  -9.805
   19    H    GLU   3           H        GLU   3 -10.522  -9.510  -5.708
   20    HA   GLU   3           HA       GLU   3 -13.107  -9.352  -4.207
   21   1HB   GLU   3          2HB       GLU   3 -11.897  -9.298  -2.146
   22   2HB   GLU   3          1HB       GLU   3 -11.207 -10.630  -3.072
   23   1HG   GLU   3          2HG       GLU   3  -9.664  -8.559  -3.945
   24   2HG   GLU   3          1HG       GLU   3  -9.989  -8.051  -2.287
   25    H    CYS   4           H        CYS   4 -11.989  -7.378  -2.395
   26    HA   CYS   4           HA       CYS   4 -12.749  -5.015  -3.744
   27   1HB   CYS   4          2HB       CYS   4 -10.963  -5.349  -1.319
   28   2HB   CYS   4          1HB       CYS   4 -11.637  -3.810  -1.852
   29    H    ASP   5           H        ASP   5 -11.737  -4.383  -5.567
   30    HA   ASP   5           HA       ASP   5  -8.920  -4.762  -6.074
   31   1HB   ASP   5          2HB       ASP   5 -10.738  -4.591  -7.829
   32   2HB   ASP   5          1HB       ASP   5 -10.811  -2.862  -7.486
   33    H    CYS   6           H        CYS   6 -10.645  -2.497  -4.229
   34    HA   CYS   6           HA       CYS   6  -8.235  -0.742  -4.151
   35   1HB   CYS   6          2HB       CYS   6  -9.529   1.247  -4.259
   36   2HB   CYS   6          1HB       CYS   6 -10.188   0.220  -5.531
   37    H    SER   7           H        SER   7  -8.388   0.728  -2.118
   38    HA   SER   7           HA       SER   7  -9.529  -0.902   0.115
   39   1HB   SER   7          2HB       SER   7  -7.723  -0.071   1.512
   40   2HB   SER   7          1HB       SER   7  -7.023  -0.743   0.042
   41    HG   SER   7           HG       SER   7  -7.298   1.578  -0.716
   42    H    SER   8           H        SER   8 -10.604   1.460  -1.569
   43    HA   SER   8           HA       SER   8 -11.570   2.994   0.781
   44   1HB   SER   8          2HB       SER   8 -11.283   4.913  -1.240
   45   2HB   SER   8          1HB       SER   8 -10.307   4.776   0.220
   46    HG   SER   8           HG       SER   8  -8.782   3.713  -0.887
   47    HA   PRO   9           HA       PRO   9 -15.299   2.348  -1.558
   48   1HB   PRO   9          2HB       PRO   9 -16.961   3.668   0.190
   49   2HB   PRO   9          1HB       PRO   9 -16.359   2.025   0.464
   50   1HG   PRO   9          2HG       PRO   9 -15.529   4.568   1.776
   51   2HG   PRO   9          1HG       PRO   9 -15.435   2.908   2.387
   52   1HD   PRO   9          2HD       PRO   9 -13.283   4.417   1.323
   53   2HD   PRO   9          1HD       PRO   9 -13.278   2.671   1.655
   54    H    GLU  10           H        GLU  10 -14.299   5.533  -0.364
   55    HA   GLU  10           HA       GLU  10 -16.090   6.950  -2.213
   56   1HB   GLU  10          2HB       GLU  10 -15.418   7.819   0.079
   57   2HB   GLU  10          1HB       GLU  10 -13.808   8.100  -0.585
   58   1HG   GLU  10          2HG       GLU  10 -15.325   9.288  -2.497
   59   2HG   GLU  10          1HG       GLU  10 -16.338   9.565  -1.079
   60    H    ASN  11           H        ASN  11 -13.574   5.141  -2.907
   61    HA   ASN  11           HA       ASN  11 -11.938   7.012  -4.423
   62   1HB   ASN  11          2HB       ASN  11 -10.709   5.188  -3.582
   63   2HB   ASN  11          1HB       ASN  11 -11.956   4.028  -4.034
   64   1HD2  ASN  11          1HD2      ASN  11 -10.752   2.707  -5.473
   65   2HD2  ASN  11          2HD2      ASN  11 -10.035   3.287  -6.895
   66    HA   PRO  12           HA       PRO  12 -14.607   6.701  -7.987
   67   1HB   PRO  12          2HB       PRO  12 -13.078   8.315  -9.604
   68   2HB   PRO  12          1HB       PRO  12 -14.167   8.939  -8.352
   69   1HG   PRO  12          2HG       PRO  12 -11.190   8.764  -8.333
   70   2HG   PRO  12          1HG       PRO  12 -12.253   9.887  -7.471
   71   1HD   PRO  12          2HD       PRO  12 -10.982   7.620  -6.351
   72   2HD   PRO  12          1HD       PRO  12 -12.297   8.551  -5.608
   73    H    CYS  13           H        CYS  13 -13.770   4.364  -8.067
   74    HA   CYS  13           HA       CYS  13 -12.728   3.732 -10.641
   75   1HB   CYS  13          2HB       CYS  13 -10.723   4.677  -9.080
   76   2HB   CYS  13          1HB       CYS  13 -10.644   2.954  -8.735
   77    H    CYS  14           H        CYS  14 -13.377   2.753  -7.339
   78    HA   CYS  14           HA       CYS  14 -13.777  -0.019  -8.382
   79   1HB   CYS  14          2HB       CYS  14 -13.224  -0.824  -6.102
   80   2HB   CYS  14          1HB       CYS  14 -11.879   0.045  -6.841
   81    H    ASP  15           H        ASP  15 -15.958  -0.152  -8.639
   82    HA   ASP  15           HA       ASP  15 -18.036   1.207  -7.491
   83   1HB   ASP  15          2HB       ASP  15 -17.934  -0.943  -9.073
   84   2HB   ASP  15          1HB       ASP  15 -18.367  -1.734  -7.565
   85    H    ALA  16           H        ALA  16 -18.835   1.475  -5.459
   86    HA   ALA  16           HA       ALA  16 -17.525   0.232  -3.207
   87   1HB   ALA  16          1HB       ALA  16 -18.683   2.561  -3.369
   88   2HB   ALA  16          2HB       ALA  16 -18.834   1.647  -1.869
   89   3HB   ALA  16          3HB       ALA  16 -20.163   1.666  -3.028
   90    H    ALA  17           H        ALA  17 -20.442  -0.416  -5.038
   91    HA   ALA  17           HA       ALA  17 -21.813  -2.047  -3.154
   92   1HB   ALA  17          1HB       ALA  17 -21.809  -1.748  -6.116
   93   2HB   ALA  17          2HB       ALA  17 -23.159  -1.694  -4.982
   94   3HB   ALA  17          3HB       ALA  17 -22.484  -3.247  -5.475
   95    H    THR  18           H        THR  18 -18.927  -2.593  -4.980
   96    HA   THR  18           HA       THR  18 -18.694  -5.274  -3.735
   97    HB   THR  18           HB       THR  18 -19.500  -5.966  -5.847
   98    HG1  THR  18           HG1      THR  18 -17.598  -6.734  -6.900
   99   1HG2  THR  18          1HG2      THR  18 -19.232  -3.558  -6.762
  100   2HG2  THR  18          2HG2      THR  18 -19.072  -4.893  -7.903
  101   3HG2  THR  18          3HG2      THR  18 -17.632  -4.087  -7.284
  102    H    CYS  19           H        CYS  19 -17.468  -2.447  -3.694
  103    HA   CYS  19           HA       CYS  19 -15.324  -1.447  -3.742
  104   1HB   CYS  19          2HB       CYS  19 -13.785  -2.629  -2.217
  105   2HB   CYS  19          1HB       CYS  19 -15.426  -2.611  -1.576
  106    H    LYS  20           H        LYS  20 -15.878  -3.129  -6.152
  107    HA   LYS  20           HA       LYS  20 -13.062  -3.956  -6.737
  108   1HB   LYS  20          2HB       LYS  20 -15.698  -4.974  -7.804
  109   2HB   LYS  20          1HB       LYS  20 -14.168  -5.287  -8.625
  110   1HG   LYS  20          2HG       LYS  20 -13.594  -5.930  -5.996
  111   2HG   LYS  20          1HG       LYS  20 -15.251  -6.503  -6.184
  112   1HD   LYS  20          2HD       LYS  20 -13.663  -7.147  -8.527
  113   2HD   LYS  20          1HD       LYS  20 -12.928  -7.807  -7.067
  114   1HE   LYS  20          2HE       LYS  20 -14.412  -9.503  -7.331
  115   2HE   LYS  20          1HE       LYS  20 -15.583  -8.371  -6.655
  116   1HZ   LYS  20          1HZ       LYS  20 -16.332  -9.341  -8.756
  117   2HZ   LYS  20          2HZ       LYS  20 -14.980  -8.684  -9.547
  118   3HZ   LYS  20          3HZ       LYS  20 -16.156  -7.658  -8.872
  119    H    LEU  21           H        LEU  21 -12.354  -3.516  -9.002
  120    HA   LEU  21           HA       LEU  21 -12.801  -0.812  -9.745
  121   1HB   LEU  21          2HB       LEU  21 -11.603  -3.180 -11.145
  122   2HB   LEU  21          1HB       LEU  21 -11.881  -1.691 -12.046
  123    HG   LEU  21           HG       LEU  21 -10.376  -1.772  -9.424
  124   1HD1  LEU  21          1HD1      LEU  21  -8.700  -1.233 -11.670
  125   2HD1  LEU  21          2HD1      LEU  21  -9.557  -2.744 -11.970
  126   3HD1  LEU  21          3HD1      LEU  21  -8.579  -2.557 -10.514
  127   1HD2  LEU  21          1HD2      LEU  21 -10.578   0.457  -9.625
  128   2HD2  LEU  21          2HD2      LEU  21 -11.306   0.300 -11.223
  129   3HD2  LEU  21          3HD2      LEU  21  -9.551   0.347 -11.054
  130    H    ARG  22           H        ARG  22 -14.501   0.105 -10.750
  131    HA   ARG  22           HA       ARG  22 -16.551  -1.638 -11.957
  132   1HB   ARG  22          2HB       ARG  22 -17.365   0.118 -10.490
  133   2HB   ARG  22          1HB       ARG  22 -16.538   1.347 -11.438
  134   1HG   ARG  22          2HG       ARG  22 -18.161  -0.267 -13.182
  135   2HG   ARG  22          1HG       ARG  22 -19.146   0.338 -11.849
  136   1HD   ARG  22          2HD       ARG  22 -17.403   2.436 -12.764
  137   2HD   ARG  22          1HD       ARG  22 -18.280   1.767 -14.140
  138    HE   ARG  22           HE       ARG  22 -20.387   2.204 -12.801
  139   1HH1  ARG  22          1HH1      ARG  22 -17.818   4.336 -13.089
  140   2HH1  ARG  22          2HH1      ARG  22 -18.383   5.459 -11.898
  141   1HH2  ARG  22          1HH2      ARG  22 -20.965   3.415 -10.814
  142   2HH2  ARG  22          2HH2      ARG  22 -20.166   4.938 -10.610
  143    HA   PRO  23           HA       PRO  23 -15.310   1.001 -15.729
  144   1HB   PRO  23          2HB       PRO  23 -13.033   2.523 -15.547
  145   2HB   PRO  23          1HB       PRO  23 -14.642   3.124 -15.115
  146   1HG   PRO  23          2HG       PRO  23 -12.389   2.365 -13.329
  147   2HG   PRO  23          1HG       PRO  23 -13.742   3.465 -13.021
  148   1HD   PRO  23          2HD       PRO  23 -13.492   0.780 -12.104
  149   2HD   PRO  23          1HD       PRO  23 -14.930   1.813 -11.986
  150    H    GLY  24           H        GLY  24 -12.932   1.240 -17.099
  151   1HA   GLY  24          2HA       GLY  24 -11.925  -1.530 -17.038
  152   2HA   GLY  24          1HA       GLY  24 -11.560  -0.324 -18.272
  153    H    ALA  25           H        ALA  25 -11.268   0.876 -15.100
  154    HA   ALA  25           HA       ALA  25  -8.507   1.471 -15.342
  155   1HB   ALA  25          1HB       ALA  25  -9.872   2.721 -13.789
  156   2HB   ALA  25          2HB       ALA  25  -8.636   1.881 -12.852
  157   3HB   ALA  25          3HB       ALA  25 -10.284   1.256 -12.897
  158    H    GLN  26           H        GLN  26  -6.684   0.303 -14.847
  159    HA   GLN  26           HA       GLN  26  -6.926  -2.535 -14.373
  160   1HB   GLN  26          2HB       GLN  26  -4.755  -0.602 -14.821
  161   2HB   GLN  26          1HB       GLN  26  -4.306  -2.010 -13.863
  162   1HG   GLN  26          2HG       GLN  26  -3.961  -2.891 -15.963
  163   2HG   GLN  26          1HG       GLN  26  -5.678  -3.260 -15.793
  164   1HE2  GLN  26          1HE2      GLN  26  -7.096  -2.309 -17.300
  165   2HE2  GLN  26          2HE2      GLN  26  -6.638  -1.122 -18.423
  166    H    CYS  27           H        CYS  27  -6.838   0.194 -12.337
  167    HA   CYS  27           HA       CYS  27  -7.079  -1.454  -9.980
  168   1HB   CYS  27          2HB       CYS  27  -5.102  -0.630  -8.795
  169   2HB   CYS  27          1HB       CYS  27  -4.603  -1.446 -10.277
  170    H    GLY  28           H        GLY  28  -8.063  -0.302  -8.321
  171   1HA   GLY  28          2HA       GLY  28  -8.982   2.379  -9.110
  172   2HA   GLY  28          1HA       GLY  28  -9.638   1.419  -7.787
  173    H    GLU  29           H        GLU  29  -6.880   0.891  -6.724
  174    HA   GLU  29           HA       GLU  29  -5.697   3.454  -6.120
  175   1HB   GLU  29          2HB       GLU  29  -7.941   3.436  -4.852
  176   2HB   GLU  29          1HB       GLU  29  -7.195   2.226  -3.810
  177   1HG   GLU  29          2HG       GLU  29  -5.279   3.836  -3.465
  178   2HG   GLU  29          1HG       GLU  29  -6.232   5.051  -4.315
  179    H    GLY  30           H        GLY  30  -3.713   3.174  -5.169
  180   1HA   GLY  30          2HA       GLY  30  -2.957   0.976  -3.517
  181   2HA   GLY  30          1HA       GLY  30  -2.461   0.644  -5.177
  182    H    LEU  31           H        LEU  31  -0.379   0.891  -3.499
  183    HA   LEU  31           HA       LEU  31   0.502   3.599  -3.059
  184   1HB   LEU  31          2HB       LEU  31   1.496   0.969  -2.541
  185   2HB   LEU  31          1HB       LEU  31   2.765   1.931  -3.284
  186    HG   LEU  31           HG       LEU  31   1.164   2.617  -0.810
  187   1HD1  LEU  31          1HD1      LEU  31   4.027   2.841  -0.609
  188   2HD1  LEU  31          2HD1      LEU  31   3.605   1.246  -1.234
  189   3HD1  LEU  31          3HD1      LEU  31   2.938   1.798   0.303
  190   1HD2  LEU  31          1HD2      LEU  31   2.950   4.596  -0.934
  191   2HD2  LEU  31          2HD2      LEU  31   1.387   4.727  -1.740
  192   3HD2  LEU  31          3HD2      LEU  31   2.821   4.281  -2.665
  193    H    CYS  32           H        CYS  32   1.347   1.165  -5.527
  194    HA   CYS  32           HA       CYS  32   2.540   3.392  -7.111
  195   1HB   CYS  32          2HB       CYS  32   3.227   0.526  -6.761
  196   2HB   CYS  32          1HB       CYS  32   3.442   1.193  -8.377
  197    H    CYS  33           H        CYS  33   0.114   3.765  -7.588
  198    HA   CYS  33           HA       CYS  33  -0.461   2.377 -10.151
  199   1HB   CYS  33          2HB       CYS  33  -1.948   1.943  -7.752
  200   2HB   CYS  33          1HB       CYS  33  -2.967   2.866  -8.858
  201    H    GLU  34           H        GLU  34  -0.461   4.014 -11.592
  202    HA   GLU  34           HA       GLU  34  -0.751   6.763 -10.965
  203   1HB   GLU  34          2HB       GLU  34   0.096   5.483 -13.135
  204   2HB   GLU  34          1HB       GLU  34  -1.553   5.805 -13.655
  205   1HG   GLU  34          2HG       GLU  34  -0.813   7.853 -14.261
  206   2HG   GLU  34          1HG       GLU  34  -0.780   8.215 -12.536
  207    H    GLN  35           H        GLN  35  -2.648   7.808 -12.739
  208    HA   GLN  35           HA       GLN  35  -5.010   7.772 -11.177
  209   1HB   GLN  35          2HB       GLN  35  -4.103   9.032 -13.590
  210   2HB   GLN  35          1HB       GLN  35  -5.723   8.394 -13.863
  211   1HG   GLN  35          2HG       GLN  35  -5.607   9.598 -11.249
  212   2HG   GLN  35          1HG       GLN  35  -5.015  10.748 -12.450
  213   1HE2  GLN  35          1HE2      GLN  35  -7.664   8.277 -12.375
  214   2HE2  GLN  35          2HE2      GLN  35  -8.847   9.324 -12.995
  215    H    CYS  36           H        CYS  36  -5.586   5.572 -10.815
  216    HA   CYS  36           HA       CYS  36  -6.669   3.552 -11.280
  217   1HB   CYS  36          2HB       CYS  36  -7.848   5.395 -13.365
  218   2HB   CYS  36          1HB       CYS  36  -8.366   3.721 -13.192
  219    H    LYS  37           H        LYS  37  -4.087   3.544 -12.190
  220    HA   LYS  37           HA       LYS  37  -4.294   1.732 -14.498
  221   1HB   LYS  37          2HB       LYS  37  -3.638   4.456 -14.910
  222   2HB   LYS  37          1HB       LYS  37  -2.126   3.557 -15.051
  223   1HG   LYS  37          2HG       LYS  37  -2.960   2.197 -16.796
  224   2HG   LYS  37          1HG       LYS  37  -4.635   2.624 -16.444
  225   1HD   LYS  37          2HD       LYS  37  -4.057   5.009 -17.076
  226   2HD   LYS  37          1HD       LYS  37  -2.504   4.403 -17.653
  227   1HE   LYS  37          2HE       LYS  37  -4.314   2.664 -18.822
  228   2HE   LYS  37          1HE       LYS  37  -5.154   4.214 -18.892
  229   1HZ   LYS  37          1HZ       LYS  37  -3.907   4.385 -20.759
  230   2HZ   LYS  37          2HZ       LYS  37  -2.664   3.385 -20.176
  231   3HZ   LYS  37          3HZ       LYS  37  -2.773   5.000 -19.659
  232    H    PHE  38           H        PHE  38  -2.471   0.327 -14.619
  233    HA   PHE  38           HA       PHE  38  -1.072  -0.098 -12.148
  234   1HB   PHE  38          2HB       PHE  38  -0.937  -1.258 -14.900
  235   2HB   PHE  38          1HB       PHE  38   0.423  -1.543 -13.816
  236    HD1  PHE  38           HD1      PHE  38  -2.351  -3.119 -14.938
  237    HD2  PHE  38           HD2      PHE  38  -0.651  -1.848 -11.204
  238    HE1  PHE  38           HE1      PHE  38  -3.643  -4.873 -13.751
  239    HE2  PHE  38           HE2      PHE  38  -1.942  -3.600 -10.017
  240    HZ   PHE  38           HZ       PHE  38  -3.438  -5.114 -11.290
  241    H    SER  39           H        SER  39   0.646   1.035 -11.400
  242    HA   SER  39           HA       SER  39   2.005   3.045 -12.893
  243   1HB   SER  39          2HB       SER  39   3.528   3.166 -11.039
  244   2HB   SER  39          1HB       SER  39   1.959   2.758 -10.351
  245    HG   SER  39           HG       SER  39   4.175   1.075 -10.869
  246    H    ARG  40           H        ARG  40   4.480   2.875 -13.338
  247    HA   ARG  40           HA       ARG  40   4.903   0.363 -14.812
  248   1HB   ARG  40          2HB       ARG  40   5.610   3.108 -15.242
  249   2HB   ARG  40          1HB       ARG  40   7.074   2.126 -15.222
  250   1HG   ARG  40          2HG       ARG  40   6.595   1.424 -17.304
  251   2HG   ARG  40          1HG       ARG  40   5.131   0.664 -16.680
  252   1HD   ARG  40          2HD       ARG  40   4.272   3.214 -16.783
  253   2HD   ARG  40          1HD       ARG  40   5.462   3.268 -18.084
  254    HE   ARG  40           HE       ARG  40   2.922   2.182 -18.414
  255   1HH1  ARG  40          1HH2      ARG  40   5.706   2.069 -20.046
  256   2HH1  ARG  40          2HH2      ARG  40   5.596   0.431 -20.597
  257   1HH2  ARG  40          1HH1      ARG  40   2.964  -0.379 -18.489
  258   2HH2  ARG  40          2HH1      ARG  40   4.042  -0.956 -19.716
  259    H    ALA  41           H        ALA  41   6.595  -1.053 -14.302
  260    HA   ALA  41           HA       ALA  41   7.522  -1.295 -11.687
  261   1HB   ALA  41          1HB       ALA  41   8.069  -3.177 -12.909
  262   2HB   ALA  41          2HB       ALA  41   9.633  -2.365 -12.968
  263   3HB   ALA  41          3HB       ALA  41   8.525  -2.244 -14.335
  264    H    GLY  42           H        GLY  42   9.894  -1.015 -10.955
  265   1HA   GLY  42          2HA       GLY  42  11.714   0.419 -10.570
  266   2HA   GLY  42          1HA       GLY  42  11.411   1.128 -12.152
  267    H    LYS  43           H        LYS  43   8.881   0.880  -9.725
  268    HA   LYS  43           HA       LYS  43   8.965   3.846  -9.551
  269   1HB   LYS  43          2HB       LYS  43   6.864   3.062 -10.480
  270   2HB   LYS  43          1HB       LYS  43   6.649   1.950  -9.125
  271   1HG   LYS  43          2HG       LYS  43   5.317   3.940  -8.701
  272   2HG   LYS  43          1HG       LYS  43   6.671   3.911  -7.575
  273   1HD   LYS  43          2HD       LYS  43   6.755   6.116  -8.335
  274   2HD   LYS  43          1HD       LYS  43   7.883   5.327  -9.436
  275   1HE   LYS  43          2HE       LYS  43   6.367   5.347 -11.216
  276   2HE   LYS  43          1HE       LYS  43   4.969   5.489 -10.152
  277   1HZ   LYS  43          1HZ       LYS  43   6.909   7.654 -10.045
  278   2HZ   LYS  43          2HZ       LYS  43   5.212   7.707  -9.967
  279   3HZ   LYS  43          3HZ       LYS  43   5.992   7.542 -11.467
  280    H    ILE  44           H        ILE  44   9.218   4.800  -7.584
  281    HA   ILE  44           HA       ILE  44   9.992   3.081  -5.368
  282    HB   ILE  44           HB       ILE  44  11.251   5.087  -5.740
  283   1HG1  ILE  44          2HG1      ILE  44  10.817   6.329  -3.555
  284   2HG1  ILE  44          1HG1      ILE  44   9.446   5.244  -3.314
  285   1HG2  ILE  44          1HG2      ILE  44  10.125   6.750  -6.761
  286   2HG2  ILE  44          2HG2      ILE  44   9.596   7.225  -5.146
  287   3HG2  ILE  44          3HG2      ILE  44   8.573   6.187  -6.141
  288   1HD1  ILE  44          1HD1      ILE  44  11.819   4.613  -2.341
  289   2HD1  ILE  44          2HD1      ILE  44  12.122   4.076  -3.993
  290   3HD1  ILE  44          3HD1      ILE  44  10.799   3.370  -3.064
  291    H    CYS  45           H        CYS  45   8.218   2.050  -4.436
  292    HA   CYS  45           HA       CYS  45   5.716   3.487  -3.871
  293   1HB   CYS  45          2HB       CYS  45   5.239   1.345  -2.508
  294   2HB   CYS  45          1HB       CYS  45   5.351   1.190  -4.253
  295    H    ARG  46           H        ARG  46   8.713   3.620  -2.521
  296    HA   ARG  46           HA       ARG  46   7.794   4.946  -0.141
  297   1HB   ARG  46          2HB       ARG  46   8.353   2.046   0.010
  298   2HB   ARG  46          1HB       ARG  46   9.146   3.025   1.245
  299   1HG   ARG  46          2HG       ARG  46   6.603   4.093   1.183
  300   2HG   ARG  46          1HG       ARG  46   6.303   2.375   0.920
  301   1HD   ARG  46          2HD       ARG  46   6.816   1.874   3.060
  302   2HD   ARG  46          1HD       ARG  46   8.314   2.802   2.981
  303    HE   ARG  46           HE       ARG  46   5.678   3.852   3.842
  304   1HH1  ARG  46          1HH2      ARG  46   8.219   3.921   5.487
  305   2HH1  ARG  46          2HH2      ARG  46   8.698   5.577   5.311
  306   1HH2  ARG  46          1HH1      ARG  46   6.635   6.160   2.586
  307   2HH2  ARG  46          2HH1      ARG  46   7.801   6.845   3.669
  308    H    ILE  47           H        ILE  47   9.340   6.513  -0.162
  309    HA   ILE  47           HA       ILE  47  12.053   5.964  -1.100
  310    HB   ILE  47           HB       ILE  47  10.950   8.139  -1.526
  311   1HG1  ILE  47          2HG1      ILE  47  12.857   9.567  -0.487
  312   2HG1  ILE  47          1HG1      ILE  47  13.466   8.033   0.136
  313   1HG2  ILE  47          1HG2      ILE  47  11.355   9.265   1.113
  314   2HG2  ILE  47          2HG2      ILE  47  10.237   7.903   1.191
  315   3HG2  ILE  47          3HG2      ILE  47   9.898   9.264   0.120
  316   1HD1  ILE  47          1HD1      ILE  47  14.222   7.397  -1.894
  317   2HD1  ILE  47          2HD1      ILE  47  13.963   9.068  -2.397
  318   3HD1  ILE  47          3HD1      ILE  47  12.712   7.858  -2.681
  319    H    ALA  48           H        ALA  48  13.329   4.779   0.268
  320    HA   ALA  48           HA       ALA  48  13.046   4.619   3.081
  321   1HB   ALA  48          1HB       ALA  48  14.703   3.453   1.169
  322   2HB   ALA  48          2HB       ALA  48  14.741   3.137   2.904
  323   3HB   ALA  48          3HB       ALA  48  15.818   4.347   2.204
  324    H    ARG  49           H        ARG  49  13.542   6.045   4.655
  325    HA   ARG  49           HA       ARG  49  15.448   8.259   4.027
  326   1HB   ARG  49          2HB       ARG  49  12.962   8.367   5.694
  327   2HB   ARG  49          1HB       ARG  49  14.046   9.722   5.399
  328   1HG   ARG  49          2HG       ARG  49  13.203  10.090   3.317
  329   2HG   ARG  49          1HG       ARG  49  13.094   8.366   2.959
  330   1HD   ARG  49          2HD       ARG  49  10.849   9.407   3.065
  331   2HD   ARG  49          1HD       ARG  49  11.059   8.194   4.329
  332    HE   ARG  49           HE       ARG  49  11.299  10.010   5.953
  333   1HH1  ARG  49          1HH1      ARG  49   9.318  10.531   3.325
  334   2HH1  ARG  49          2HH1      ARG  49   9.229  12.253   3.495
  335   1HH2  ARG  49          1HH2      ARG  49  11.691  12.406   5.932
  336   2HH2  ARG  49          2HH2      ARG  49  10.573  13.315   4.969
  337    H    GLY  50           H        GLY  50  16.604   6.119   5.194
  338   1HA   GLY  50          2HA       GLY  50  17.549   7.088   7.690
  339   2HA   GLY  50          1HA       GLY  50  16.331   5.856   8.008
  340    H    ASP  51           H        ASP  51  19.018   6.227   5.675
  341    HA   ASP  51           HA       ASP  51  20.615   4.657   4.981
  342   1HB   ASP  51          2HB       ASP  51  20.774   5.036   7.758
  343   2HB   ASP  51          1HB       ASP  51  20.917   3.299   7.495
  344    H    TRP  52           H        TRP  52  19.001   3.421   3.730
  345    HA   TRP  52           HA       TRP  52  19.176   0.657   4.223
  346   1HB   TRP  52          2HB       TRP  52  16.578   0.332   4.572
  347   2HB   TRP  52          1HB       TRP  52  17.658   0.535   5.943
  348    HD1  TRP  52           HD1      TRP  52  16.534   3.479   3.740
  349    HE1  TRP  52           HE1      TRP  52  15.103   5.044   5.167
  350    HE3  TRP  52           HE3      TRP  52  16.193   0.734   8.033
  351    HZ2  TRP  52           HZ2      TRP  52  13.964   5.167   7.778
  352    HZ3  TRP  52           HZ3      TRP  52  14.928   1.607   9.977
  353    HH2  TRP  52           HH2      TRP  52  13.814   3.820   9.853
  354    H    ASN  53           H        ASN  53  17.816  -0.619   2.684
  355    HA   ASN  53           HA       ASN  53  17.970   0.495   0.077
  356   1HB   ASN  53          2HB       ASN  53  17.457  -2.030   1.187
  357   2HB   ASN  53          1HB       ASN  53  16.026  -1.652   0.229
  358   1HD2  ASN  53          1HD2      ASN  53  16.459  -2.969  -1.610
  359   2HD2  ASN  53          2HD2      ASN  53  17.820  -2.762  -2.603
  360    H    ASP  54           H        ASP  54  16.060   0.578  -1.457
  361    HA   ASP  54           HA       ASP  54  13.806   2.032  -0.141
  362   1HB   ASP  54          2HB       ASP  54  13.493   2.779  -2.664
  363   2HB   ASP  54          1HB       ASP  54  14.693   3.572  -1.645
  364    H    ASP  55           H        ASP  55  11.837   1.890  -1.937
  365    HA   ASP  55           HA       ASP  55  11.466  -1.029  -2.437
  366   1HB   ASP  55          2HB       ASP  55   9.247   0.880  -1.812
  367   2HB   ASP  55          1HB       ASP  55   9.212  -0.877  -1.746
  368    H    ARG  56           H        ARG  56  11.182  -1.491  -4.556
  369    HA   ARG  56           HA       ARG  56  10.308   0.673  -6.422
  370   1HB   ARG  56          2HB       ARG  56  12.445  -1.040  -6.589
  371   2HB   ARG  56          1HB       ARG  56  11.224  -1.918  -7.506
  372   1HG   ARG  56          2HG       ARG  56  12.308  -0.517  -9.088
  373   2HG   ARG  56          1HG       ARG  56  10.779   0.286  -8.727
  374   1HD   ARG  56          2HD       ARG  56  12.763   1.835  -8.726
  375   2HD   ARG  56          1HD       ARG  56  11.870   1.820  -7.206
  376    HE   ARG  56           HE       ARG  56  13.721   0.731  -6.168
  377   1HH1  ARG  56          1HH1      ARG  56  15.440   2.502  -7.781
  378   2HH1  ARG  56          2HH1      ARG  56  16.493   1.390  -8.590
  379   1HH2  ARG  56          1HH2      ARG  56  14.480  -1.369  -7.992
  380   2HH2  ARG  56          2HH2      ARG  56  15.949  -0.800  -8.710
  381    H    CYS  57           H        CYS  57   8.732   0.046  -8.058
  382    HA   CYS  57           HA       CYS  57   6.919  -2.113  -7.084
  383   1HB   CYS  57          2HB       CYS  57   6.063   0.209  -8.814
  384   2HB   CYS  57          1HB       CYS  57   5.062  -0.832  -7.798
  385    H    THR  58           H        THR  58   5.694  -3.169  -8.907
  386    HA   THR  58           HA       THR  58   7.563  -3.652 -11.150
  387    HB   THR  58           HB       THR  58   6.300  -5.649 -11.557
  388    HG1  THR  58           HG1      THR  58   4.360  -5.862 -10.057
  389   1HG2  THR  58          1HG2      THR  58   5.918  -5.826  -8.672
  390   2HG2  THR  58          2HG2      THR  58   7.465  -5.089  -9.088
  391   3HG2  THR  58          3HG2      THR  58   7.057  -6.690  -9.705
  392    H    GLY  59           H        GLY  59   6.196  -4.180 -13.302
  393   1HA   GLY  59          2HA       GLY  59   4.844  -1.643 -13.945
  394   2HA   GLY  59          1HA       GLY  59   5.317  -2.888 -15.101
  395    H    GLN  60           H        GLN  60   3.794  -4.361 -12.507
  396    HA   GLN  60           HA       GLN  60   1.066  -4.028 -13.644
  397   1HB   GLN  60          2HB       GLN  60   1.975  -6.807 -12.999
  398   2HB   GLN  60          1HB       GLN  60   0.761  -6.267 -14.159
  399   1HG   GLN  60          2HG       GLN  60   2.655  -5.281 -15.529
  400   2HG   GLN  60          1HG       GLN  60   3.772  -6.111 -14.444
  401   1HE2  GLN  60          1HE2      GLN  60   4.105  -7.047 -16.902
  402   2HE2  GLN  60          2HE2      GLN  60   3.287  -8.507 -17.182
  403    H    SER  61           H        SER  61   2.708  -3.512 -11.043
  404    HA   SER  61           HA       SER  61   0.797  -4.892  -9.199
  405   1HB   SER  61          2HB       SER  61   2.972  -5.619  -8.598
  406   2HB   SER  61          1HB       SER  61   3.664  -4.018  -8.838
  407    HG   SER  61           HG       SER  61   3.384  -4.035  -6.714
  408    H    ALA  62           H        ALA  62  -0.400  -3.616  -7.809
  409    HA   ALA  62           HA       ALA  62  -0.063  -0.666  -8.132
  410   1HB   ALA  62          1HB       ALA  62  -2.263  -1.697  -8.790
  411   2HB   ALA  62          2HB       ALA  62  -2.398  -0.463  -7.537
  412   3HB   ALA  62          3HB       ALA  62  -2.484  -2.171  -7.106
  413    H    ASP  63           H        ASP  63   0.156  -3.270  -5.891
  414    HA   ASP  63           HA       ASP  63   0.220  -1.349  -3.608
  415   1HB   ASP  63          2HB       ASP  63   0.333  -4.267  -3.128
  416   2HB   ASP  63          1HB       ASP  63  -0.503  -3.017  -2.217
  417    H    CYS  64           H        CYS  64   2.006  -1.682  -2.033
  418    HA   CYS  64           HA       CYS  64   4.442  -2.673  -3.447
  419   1HB   CYS  64          2HB       CYS  64   4.455  -0.274  -2.955
  420   2HB   CYS  64          1HB       CYS  64   4.216  -0.605  -1.246
  421    HA   PRO  65           HA       PRO  65   4.335  -5.699  -0.199
  422   1HB   PRO  65          2HB       PRO  65   5.969  -7.414  -1.571
  423   2HB   PRO  65          1HB       PRO  65   4.232  -7.305  -1.853
  424   1HG   PRO  65          2HG       PRO  65   6.479  -6.386  -3.551
  425   2HG   PRO  65          1HG       PRO  65   4.801  -6.726  -4.005
  426   1HD   PRO  65          2HD       PRO  65   5.983  -4.158  -3.563
  427   2HD   PRO  65          1HD       PRO  65   4.273  -4.505  -3.882
  428    H    ARG  66           H        ARG  66   6.006  -3.480   0.253
  429    HA   ARG  66           HA       ARG  66   8.513  -4.823   1.081
  430   1HB   ARG  66          2HB       ARG  66   8.330  -2.016  -0.044
  431   2HB   ARG  66          1HB       ARG  66   9.801  -2.819   0.507
  432   1HG   ARG  66          2HG       ARG  66   8.052  -3.948  -1.689
  433   2HG   ARG  66          1HG       ARG  66   9.405  -2.863  -2.010
  434   1HD   ARG  66          2HD       ARG  66  10.975  -4.408  -1.029
  435   2HD   ARG  66          1HD       ARG  66   9.671  -5.435  -0.433
  436    HE   ARG  66           HE       ARG  66   9.218  -6.095  -2.754
  437   1HH1  ARG  66          1HH2      ARG  66  11.337  -3.497  -2.927
  438   2HH1  ARG  66          2HH2      ARG  66  12.406  -4.219  -4.084
  439   1HH2  ARG  66          1HH1      ARG  66  10.891  -7.335  -3.934
  440   2HH2  ARG  66          2HH1      ARG  66  12.152  -6.391  -4.654
  441    H    TYR  67           H        TYR  67   9.558  -2.421   2.311
  442    HA   TYR  67           HA       TYR  67   7.518  -1.612   4.256
  443   1HB   TYR  67          2HB       TYR  67   9.555  -2.196   5.987
  444   2HB   TYR  67          1HB       TYR  67   8.168  -3.245   5.704
  445    HD1  TYR  67           HD1      TYR  67  11.732  -2.952   5.508
  446    HD2  TYR  67           HD2      TYR  67   8.358  -4.970   3.778
  447    HE1  TYR  67           HE1      TYR  67  13.239  -4.710   4.621
  448    HE2  TYR  67           HE2      TYR  67   9.866  -6.728   2.889
  449    HH   TYR  67           HH       TYR  67  12.652  -7.444   3.906
  450    H    HIS  68           HN       HIS  68  11.092  -1.565   4.058
  451    HA   HIS  68           HA       HIS  68  10.914   1.417   4.233
  452   1HB   HIS  68          2HB       HIS  68  13.325  -0.229   5.007
  453   2HB   HIS  68          1HB       HIS  68  12.946   1.434   5.459
  454    HD1  HIS  68           HD1      HIS  68  10.418   1.520   6.783
  455    HD2  HIS  68           HD2      HIS  68  12.729  -1.938   7.080
  456    HE1  HIS  68           HE1      HIS  68   9.581   0.272   8.822
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1 -12.726 -15.616  -2.250
    2   2H    GLY   1          2HT       GLY   1 -11.180 -15.595  -2.955
    3   3H    GLY   1          3HT       GLY   1 -12.314 -14.394  -3.351
    4   1HA   GLY   1          1HA       GLY   1 -12.124 -14.252  -0.625
    5   2HA   GLY   1          2HA       GLY   1 -10.468 -14.495  -1.182
    6    H    LYS   2           H        LYS   2 -11.416 -12.042  -0.044
    7    HA   LYS   2           HA       LYS   2 -11.411  -9.735  -0.480
    8   1HB   LYS   2          2HB       LYS   2  -9.661 -10.936  -2.590
    9   2HB   LYS   2          1HB       LYS   2 -10.110  -9.238  -2.750
   10   1HG   LYS   2          2HG       LYS   2  -9.412  -9.616  -0.035
   11   2HG   LYS   2          1HG       LYS   2  -8.167 -10.430  -0.982
   12   1HD   LYS   2          2HD       LYS   2  -8.035  -8.323  -2.403
   13   2HD   LYS   2          1HD       LYS   2  -9.048  -7.543  -1.188
   14   1HE   LYS   2          2HE       LYS   2  -6.831  -7.032  -0.519
   15   2HE   LYS   2          1HE       LYS   2  -7.309  -8.367   0.530
   16   1HZ   LYS   2          1HZ       LYS   2  -6.044  -9.870  -0.667
   17   2HZ   LYS   2          2HZ       LYS   2  -5.057  -8.488  -0.649
   18   3HZ   LYS   2          3HZ       LYS   2  -5.953  -8.878  -2.039
   19    H    GLU   3           H        GLU   3 -13.571  -9.240  -0.867
   20    HA   GLU   3           HA       GLU   3 -14.452  -9.385  -3.722
   21   1HB   GLU   3          2HB       GLU   3 -15.686 -10.421  -1.337
   22   2HB   GLU   3          1HB       GLU   3 -16.734  -9.212  -2.077
   23   1HG   GLU   3          2HG       GLU   3 -16.866 -10.397  -4.109
   24   2HG   GLU   3          1HG       GLU   3 -15.430 -11.355  -3.747
   25    H    CYS   4           H        CYS   4 -13.069  -7.154  -2.918
   26    HA   CYS   4           HA       CYS   4 -14.857  -5.046  -3.503
   27   1HB   CYS   4          2HB       CYS   4 -15.601  -5.618  -1.146
   28   2HB   CYS   4          1HB       CYS   4 -14.061  -4.969  -0.639
   29    H    ASP   5           H        ASP   5 -12.854  -5.110  -4.836
   30    HA   ASP   5           HA       ASP   5 -10.264  -4.575  -4.217
   31   1HB   ASP   5          2HB       ASP   5 -11.348  -4.514  -6.516
   32   2HB   ASP   5          1HB       ASP   5 -11.761  -2.832  -6.182
   33    H    CYS   6           H        CYS   6 -12.941  -2.261  -3.880
   34    HA   CYS   6           HA       CYS   6 -11.237  -0.718  -1.994
   35   1HB   CYS   6          2HB       CYS   6 -12.799   0.695  -4.160
   36   2HB   CYS   6          1HB       CYS   6 -11.650   1.398  -3.026
   37    H    SER   7           H        SER   7 -12.439   0.323  -0.378
   38    HA   SER   7           HA       SER   7 -15.307  -0.464  -0.266
   39   1HB   SER   7          2HB       SER   7 -15.069   0.210   2.161
   40   2HB   SER   7          1HB       SER   7 -14.039  -1.134   1.673
   41    HG   SER   7           HG       SER   7 -13.060   1.473   1.408
   42    H    SER   8           H        SER   8 -13.775   2.024  -1.551
   43    HA   SER   8           HA       SER   8 -15.319   4.184  -0.240
   44   1HB   SER   8          2HB       SER   8 -13.965   5.243  -2.449
   45   2HB   SER   8          1HB       SER   8 -13.451   5.324  -0.768
   46    HG   SER   8           HG       SER   8 -11.814   4.319  -1.808
   47    HA   PRO   9           HA       PRO   9 -18.383   3.590  -3.449
   48   1HB   PRO   9          2HB       PRO   9 -20.163   5.415  -2.419
   49   2HB   PRO   9          1HB       PRO   9 -19.987   3.764  -1.801
   50   1HG   PRO   9          2HG       PRO   9 -19.051   6.328  -0.599
   51   2HG   PRO   9          1HG       PRO   9 -19.470   4.802   0.197
   52   1HD   PRO   9          2HD       PRO   9 -16.848   5.731  -0.329
   53   2HD   PRO   9          1HD       PRO   9 -17.294   4.081   0.157
   54    H    GLU  10           H        GLU  10 -16.407   6.250  -2.843
   55    HA   GLU  10           HA       GLU  10 -17.623   7.816  -5.083
   56   1HB   GLU  10          2HB       GLU  10 -15.672   8.731  -2.946
   57   2HB   GLU  10          1HB       GLU  10 -16.396   9.749  -4.190
   58   1HG   GLU  10          2HG       GLU  10 -18.337   9.946  -3.046
   59   2HG   GLU  10          1HG       GLU  10 -18.386   8.221  -2.679
   60    H    ASN  11           H        ASN  11 -14.939   5.897  -4.150
   61    HA   ASN  11           HA       ASN  11 -12.877   7.020  -5.749
   62   1HB   ASN  11          2HB       ASN  11 -13.001   4.940  -4.025
   63   2HB   ASN  11          1HB       ASN  11 -13.008   4.064  -5.555
   64   1HD2  ASN  11          1HD2      ASN  11 -10.755   3.421  -4.537
   65   2HD2  ASN  11          2HD2      ASN  11  -9.445   4.410  -4.966
   66    HA   PRO  12           HA       PRO  12 -14.712   5.993  -9.702
   67   1HB   PRO  12          2HB       PRO  12 -12.782   7.254 -11.198
   68   2HB   PRO  12          1HB       PRO  12 -14.118   8.109 -10.406
   69   1HG   PRO  12          2HG       PRO  12 -11.241   7.994  -9.630
   70   2HG   PRO  12          1HG       PRO  12 -12.442   9.255  -9.301
   71   1HD   PRO  12          2HD       PRO  12 -11.552   7.290  -7.466
   72   2HD   PRO  12          1HD       PRO  12 -12.970   8.342  -7.267
   73    H    CYS  13           H        CYS  13 -12.101   4.673  -8.216
   74    HA   CYS  13           HA       CYS  13 -11.262   3.112 -10.625
   75   1HB   CYS  13          2HB       CYS  13  -9.781   3.842  -8.095
   76   2HB   CYS  13          1HB       CYS  13  -9.224   2.574  -9.173
   77    H    CYS  14           H        CYS  14 -13.562   2.728  -8.614
   78    HA   CYS  14           HA       CYS  14 -13.223  -0.159  -8.460
   79   1HB   CYS  14          2HB       CYS  14 -12.833   1.561  -6.056
   80   2HB   CYS  14          1HB       CYS  14 -13.749   0.067  -5.849
   81    H    ASP  15           H        ASP  15 -15.206  -0.629  -9.279
   82    HA   ASP  15           HA       ASP  15 -17.554   0.842  -9.194
   83   1HB   ASP  15          2HB       ASP  15 -17.004  -1.472 -10.286
   84   2HB   ASP  15          1HB       ASP  15 -17.687  -2.109  -8.797
   85    H    ALA  16           H        ALA  16 -19.059   1.333  -7.629
   86    HA   ALA  16           HA       ALA  16 -18.478   0.421  -4.893
   87   1HB   ALA  16          1HB       ALA  16 -18.910   2.869  -5.547
   88   2HB   ALA  16          2HB       ALA  16 -19.781   2.253  -4.142
   89   3HB   ALA  16          3HB       ALA  16 -20.604   2.402  -5.695
   90    H    ALA  17           H        ALA  17 -20.530  -0.441  -7.442
   91    HA   ALA  17           HA       ALA  17 -22.641  -1.444  -5.599
   92   1HB   ALA  17          1HB       ALA  17 -24.078  -1.259  -7.343
   93   2HB   ALA  17          2HB       ALA  17 -22.949  -2.025  -8.461
   94   3HB   ALA  17          3HB       ALA  17 -22.810  -0.302  -8.109
   95    H    THR  18           H        THR  18 -19.828  -2.454  -7.210
   96    HA   THR  18           HA       THR  18 -20.611  -5.307  -6.814
   97    HB   THR  18           HB       THR  18 -19.559  -3.924  -9.148
   98    HG1  THR  18           HG1      THR  18 -20.416  -5.725 -10.125
   99   1HG2  THR  18          1HG2      THR  18 -17.399  -4.825  -8.407
  100   2HG2  THR  18          2HG2      THR  18 -17.969  -5.687  -9.837
  101   3HG2  THR  18          3HG2      THR  18 -18.115  -6.429  -8.245
  102    H    CYS  19           H        CYS  19 -18.808  -2.887  -5.560
  103    HA   CYS  19           HA       CYS  19 -16.785  -2.784  -4.357
  104   1HB   CYS  19          2HB       CYS  19 -18.313  -5.094  -3.533
  105   2HB   CYS  19          1HB       CYS  19 -16.603  -5.358  -3.287
  106    H    LYS  20           H        LYS  20 -15.540  -2.701  -6.387
  107    HA   LYS  20           HA       LYS  20 -13.351  -4.488  -6.396
  108   1HB   LYS  20          2HB       LYS  20 -15.631  -5.316  -8.099
  109   2HB   LYS  20          1HB       LYS  20 -14.032  -5.366  -8.843
  110   1HG   LYS  20          2HG       LYS  20 -13.667  -6.450  -6.280
  111   2HG   LYS  20          1HG       LYS  20 -15.175  -7.156  -6.865
  112   1HD   LYS  20          2HD       LYS  20 -13.471  -7.219  -9.083
  113   2HD   LYS  20          1HD       LYS  20 -12.446  -7.685  -7.724
  114   1HE   LYS  20          2HE       LYS  20 -13.808  -9.526  -7.168
  115   2HE   LYS  20          1HE       LYS  20 -15.183  -8.898  -8.077
  116   1HZ   LYS  20          1HZ       LYS  20 -14.242  -9.495 -10.081
  117   2HZ   LYS  20          2HZ       LYS  20 -13.773 -10.786  -9.080
  118   3HZ   LYS  20          3HZ       LYS  20 -12.666  -9.554  -9.459
  119    H    LEU  21           H        LEU  21 -12.034  -4.217  -8.510
  120    HA   LEU  21           HA       LEU  21 -11.675  -1.428  -8.997
  121   1HB   LEU  21          2HB       LEU  21 -10.565  -3.940 -10.023
  122   2HB   LEU  21          1HB       LEU  21 -10.633  -2.663 -11.235
  123    HG   LEU  21           HG       LEU  21  -9.387  -2.378  -8.492
  124   1HD1  LEU  21          1HD1      LEU  21  -7.647  -3.447  -9.464
  125   2HD1  LEU  21          2HD1      LEU  21  -7.433  -1.960 -10.389
  126   3HD1  LEU  21          3HD1      LEU  21  -8.355  -3.299 -11.072
  127   1HD2  LEU  21          1HD2      LEU  21 -10.413  -0.445 -10.207
  128   2HD2  LEU  21          2HD2      LEU  21  -8.672  -0.427 -10.492
  129   3HD2  LEU  21          3HD2      LEU  21  -9.302  -0.181  -8.863
  130    H    ARG  22           H        ARG  22 -12.270  -0.148 -10.777
  131    HA   ARG  22           HA       ARG  22 -14.712  -0.977 -12.138
  132   1HB   ARG  22          2HB       ARG  22 -14.562   1.183 -13.285
  133   2HB   ARG  22          1HB       ARG  22 -14.238   1.416 -11.566
  134   1HG   ARG  22          2HG       ARG  22 -12.361   2.483 -12.248
  135   2HG   ARG  22          1HG       ARG  22 -11.728   0.868 -12.566
  136   1HD   ARG  22          2HD       ARG  22 -11.409   2.047 -14.602
  137   2HD   ARG  22          1HD       ARG  22 -12.851   1.067 -14.874
  138    HE   ARG  22           HE       ARG  22 -13.142   3.905 -14.003
  139   1HH1  ARG  22          1HH2      ARG  22 -12.545   3.072 -16.969
  140   2HH1  ARG  22          2HH2      ARG  22 -14.147   3.166 -17.621
  141   1HH2  ARG  22          1HH1      ARG  22 -15.690   3.280 -14.518
  142   2HH2  ARG  22          2HH1      ARG  22 -15.928   3.284 -16.233
  143    HA   PRO  23           HA       PRO  23 -12.417  -3.285 -15.180
  144   1HB   PRO  23          2HB       PRO  23 -14.557  -3.638 -16.901
  145   2HB   PRO  23          1HB       PRO  23 -14.253  -4.626 -15.461
  146   1HG   PRO  23          2HG       PRO  23 -16.190  -2.349 -15.810
  147   2HG   PRO  23          1HG       PRO  23 -16.373  -3.843 -14.869
  148   1HD   PRO  23          2HD       PRO  23 -15.741  -1.436 -13.689
  149   2HD   PRO  23          1HD       PRO  23 -15.212  -2.994 -13.038
  150    H    GLY  24           H        GLY  24 -11.202  -1.322 -15.654
  151   1HA   GLY  24          2HA       GLY  24 -11.184  -0.576 -18.373
  152   2HA   GLY  24          1HA       GLY  24 -12.011   0.709 -17.482
  153    H    ALA  25           H        ALA  25 -10.563   0.314 -15.042
  154    HA   ALA  25           HA       ALA  25  -8.074   1.720 -15.701
  155   1HB   ALA  25          1HB       ALA  25  -8.006   2.118 -13.244
  156   2HB   ALA  25          2HB       ALA  25  -9.446   1.118 -13.070
  157   3HB   ALA  25          3HB       ALA  25  -9.530   2.636 -13.962
  158    H    GLN  26           H        GLN  26  -6.568   0.943 -13.422
  159    HA   GLN  26           HA       GLN  26  -6.257  -1.993 -13.696
  160   1HB   GLN  26          2HB       GLN  26  -4.595  -0.159 -15.047
  161   2HB   GLN  26          1HB       GLN  26  -3.650  -0.743 -13.677
  162   1HG   GLN  26          2HG       GLN  26  -3.191  -2.490 -15.077
  163   2HG   GLN  26          1HG       GLN  26  -4.763  -3.072 -14.526
  164   1HE2  GLN  26          1HE2      GLN  26  -3.824  -0.497 -16.879
  165   2HE2  GLN  26          2HE2      GLN  26  -4.772  -1.110 -18.148
  166    H    CYS  27           H        CYS  27  -6.812   0.360 -11.625
  167    HA   CYS  27           HA       CYS  27  -5.686  -1.122  -9.420
  168   1HB   CYS  27          2HB       CYS  27  -3.733   0.010  -9.246
  169   2HB   CYS  27          1HB       CYS  27  -4.251   1.232 -10.392
  170    H    GLY  28           H        GLY  28  -6.498  -0.380  -7.371
  171   1HA   GLY  28          2HA       GLY  28  -8.873   1.416  -7.651
  172   2HA   GLY  28          1HA       GLY  28  -8.870  -0.010  -6.613
  173    H    GLU  29           H        GLU  29  -5.902   0.758  -6.056
  174    HA   GLU  29           HA       GLU  29  -5.846   3.254  -4.711
  175   1HB   GLU  29          2HB       GLU  29  -6.152   2.526  -2.376
  176   2HB   GLU  29          1HB       GLU  29  -7.617   2.261  -3.323
  177   1HG   GLU  29          2HG       GLU  29  -7.556   0.068  -2.844
  178   2HG   GLU  29          1HG       GLU  29  -5.951  -0.057  -3.564
  179    H    GLY  30           H        GLY  30  -3.726   3.655  -4.407
  180   1HA   GLY  30          2HA       GLY  30  -1.830   1.909  -3.196
  181   2HA   GLY  30          1HA       GLY  30  -1.662   1.782  -4.955
  182    H    LEU  31           H        LEU  31   0.546   2.889  -3.682
  183    HA   LEU  31           HA       LEU  31   0.118   5.825  -3.706
  184   1HB   LEU  31          2HB       LEU  31   1.690   5.608  -2.087
  185   2HB   LEU  31          1HB       LEU  31   2.013   3.989  -2.574
  186    HG   LEU  31           HG       LEU  31   3.616   4.730  -4.239
  187   1HD1  LEU  31          1HD1      LEU  31   3.857   7.494  -3.798
  188   2HD1  LEU  31          2HD1      LEU  31   2.122   7.208  -3.936
  189   3HD1  LEU  31          3HD1      LEU  31   3.203   6.716  -5.239
  190   1HD2  LEU  31          1HD2      LEU  31   4.517   6.627  -2.208
  191   2HD2  LEU  31          2HD2      LEU  31   5.219   5.076  -2.671
  192   3HD2  LEU  31          3HD2      LEU  31   3.918   5.135  -1.483
  193    H    CYS  32           H        CYS  32   1.641   3.226  -5.493
  194    HA   CYS  32           HA       CYS  32   2.514   5.106  -7.616
  195   1HB   CYS  32          2HB       CYS  32   3.091   2.272  -6.885
  196   2HB   CYS  32          1HB       CYS  32   3.143   2.679  -8.597
  197    H    CYS  33           H        CYS  33  -0.264   4.972  -7.191
  198    HA   CYS  33           HA       CYS  33  -1.303   3.194  -9.342
  199   1HB   CYS  33          2HB       CYS  33  -2.468   4.530  -6.954
  200   2HB   CYS  33          1HB       CYS  33  -3.519   4.366  -8.352
  201    H    GLU  34           H        GLU  34  -0.955   4.265 -11.292
  202    HA   GLU  34           HA       GLU  34  -1.078   7.097 -11.646
  203   1HB   GLU  34          2HB       GLU  34  -0.422   4.950 -13.243
  204   2HB   GLU  34          1HB       GLU  34  -1.927   5.518 -13.957
  205   1HG   GLU  34          2HG       GLU  34  -1.018   7.806 -14.084
  206   2HG   GLU  34          1HG       GLU  34   0.492   7.242 -13.369
  207    H    GLN  35           H        GLN  35  -2.908   7.751 -13.544
  208    HA   GLN  35           HA       GLN  35  -5.325   8.055 -12.090
  209   1HB   GLN  35          2HB       GLN  35  -5.000   8.088 -15.107
  210   2HB   GLN  35          1HB       GLN  35  -6.292   8.856 -14.183
  211   1HG   GLN  35          2HG       GLN  35  -3.963   9.840 -13.012
  212   2HG   GLN  35          1HG       GLN  35  -3.593   9.819 -14.737
  213   1HE2  GLN  35          1HE2      GLN  35  -4.001  12.273 -13.238
  214   2HE2  GLN  35          2HE2      GLN  35  -5.397  13.021 -13.850
  215    H    CYS  36           H        CYS  36  -5.943   5.955 -11.311
  216    HA   CYS  36           HA       CYS  36  -7.032   3.873 -11.440
  217   1HB   CYS  36          2HB       CYS  36  -8.240   5.632 -13.394
  218   2HB   CYS  36          1HB       CYS  36  -8.233   3.980 -13.990
  219    H    LYS  37           H        LYS  37  -4.418   3.611 -12.059
  220    HA   LYS  37           HA       LYS  37  -4.440   1.470 -14.065
  221   1HB   LYS  37          2HB       LYS  37  -3.515   4.151 -14.734
  222   2HB   LYS  37          1HB       LYS  37  -2.227   2.959 -14.909
  223   1HG   LYS  37          2HG       LYS  37  -3.943   1.531 -16.178
  224   2HG   LYS  37          1HG       LYS  37  -4.929   2.991 -16.254
  225   1HD   LYS  37          2HD       LYS  37  -2.503   3.963 -17.047
  226   2HD   LYS  37          1HD       LYS  37  -2.439   2.325 -17.698
  227   1HE   LYS  37          2HE       LYS  37  -4.971   3.012 -18.391
  228   2HE   LYS  37          1HE       LYS  37  -4.193   4.593 -18.456
  229   1HZ   LYS  37          1HZ       LYS  37  -4.110   3.278 -20.562
  230   2HZ   LYS  37          2HZ       LYS  37  -3.083   2.180 -19.771
  231   3HZ   LYS  37          3HZ       LYS  37  -2.599   3.795 -19.988
  232    H    PHE  38           H        PHE  38  -2.240   0.393 -14.148
  233    HA   PHE  38           HA       PHE  38  -1.041   0.469 -11.439
  234   1HB   PHE  38          2HB       PHE  38  -1.055  -1.513 -13.695
  235   2HB   PHE  38          1HB       PHE  38   0.248  -1.576 -12.513
  236    HD1  PHE  38           HD1      PHE  38  -1.338  -0.646 -10.079
  237    HD2  PHE  38           HD2      PHE  38  -2.226  -3.515 -13.147
  238    HE1  PHE  38           HE1      PHE  38  -2.826  -1.850  -8.514
  239    HE2  PHE  38           HE2      PHE  38  -3.717  -4.724 -11.579
  240    HZ   PHE  38           HZ       PHE  38  -4.019  -3.893  -9.263
  241    H    SER  39           H        SER  39   0.703   1.787 -11.183
  242    HA   SER  39           HA       SER  39   2.114   3.145 -13.167
  243   1HB   SER  39          2HB       SER  39   3.933   3.407 -11.544
  244   2HB   SER  39          1HB       SER  39   2.385   3.528 -10.711
  245    HG   SER  39           HG       SER  39   2.627   1.429 -10.008
  246    H    ARG  40           H        ARG  40   4.565   2.693 -13.663
  247    HA   ARG  40           HA       ARG  40   4.688  -0.025 -14.767
  248   1HB   ARG  40          2HB       ARG  40   5.777   2.553 -15.482
  249   2HB   ARG  40          1HB       ARG  40   7.044   1.328 -15.430
  250   1HG   ARG  40          2HG       ARG  40   6.182   1.225 -17.645
  251   2HG   ARG  40          1HG       ARG  40   5.447  -0.141 -16.805
  252   1HD   ARG  40          2HD       ARG  40   3.357   0.751 -16.925
  253   2HD   ARG  40          1HD       ARG  40   3.933   2.385 -16.593
  254    HE   ARG  40           HE       ARG  40   4.754   1.586 -19.226
  255   1HH1  ARG  40          1HH1      ARG  40   1.709   0.925 -18.595
  256   2HH1  ARG  40          2HH1      ARG  40   0.976   2.283 -19.382
  257   1HH2  ARG  40          1HH2      ARG  40   3.949   4.035 -19.713
  258   2HH2  ARG  40          2HH2      ARG  40   2.244   4.043 -20.015
  259    H    ALA  41           H        ALA  41   6.000  -1.582 -13.889
  260    HA   ALA  41           HA       ALA  41   7.043  -1.424 -11.313
  261   1HB   ALA  41          1HB       ALA  41   7.755  -3.118 -13.683
  262   2HB   ALA  41          2HB       ALA  41   7.010  -3.593 -12.157
  263   3HB   ALA  41          3HB       ALA  41   8.733  -3.223 -12.220
  264    H    GLY  42           H        GLY  42   9.282  -1.217 -10.553
  265   1HA   GLY  42          2HA       GLY  42  11.496  -0.367 -10.680
  266   2HA   GLY  42          1HA       GLY  42  11.175   0.127 -12.341
  267    H    LYS  43           H        LYS  43   8.882   0.897  -9.844
  268    HA   LYS  43           HA       LYS  43   9.748   3.742 -10.017
  269   1HB   LYS  43          2HB       LYS  43   7.490   3.490 -10.872
  270   2HB   LYS  43          1HB       LYS  43   7.028   2.522  -9.479
  271   1HG   LYS  43          2HG       LYS  43   6.190   4.809  -9.225
  272   2HG   LYS  43          1HG       LYS  43   7.404   4.480  -8.009
  273   1HD   LYS  43          2HD       LYS  43   8.292   6.456  -8.742
  274   2HD   LYS  43          1HD       LYS  43   8.980   5.437 -10.006
  275   1HE   LYS  43          2HE       LYS  43   6.351   6.034 -10.844
  276   2HE   LYS  43          1HE       LYS  43   7.027   7.551 -10.250
  277   1HZ   LYS  43          1HZ       LYS  43   7.693   6.059 -12.598
  278   2HZ   LYS  43          2HZ       LYS  43   9.064   6.422 -11.662
  279   3HZ   LYS  43          3HZ       LYS  43   8.048   7.670 -12.205
  280    H    ILE  44           H        ILE  44   9.199   4.907  -7.764
  281    HA   ILE  44           HA       ILE  44  10.178   2.984  -5.736
  282    HB   ILE  44           HB       ILE  44  10.714   5.784  -6.307
  283   1HG1  ILE  44          2HG1      ILE  44  12.396   4.008  -6.279
  284   2HG1  ILE  44          1HG1      ILE  44  12.769   5.211  -5.043
  285   1HG2  ILE  44          1HG2      ILE  44  11.130   6.242  -3.784
  286   2HG2  ILE  44          2HG2      ILE  44   9.921   4.987  -3.509
  287   3HG2  ILE  44          3HG2      ILE  44   9.490   6.448  -4.400
  288   1HD1  ILE  44          1HD1      ILE  44  10.981   3.119  -4.055
  289   2HD1  ILE  44          2HD1      ILE  44  12.489   3.720  -3.366
  290   3HD1  ILE  44          3HD1      ILE  44  12.524   2.476  -4.616
  291    H    CYS  45           H        CYS  45   8.366   2.025  -4.866
  292    HA   CYS  45           HA       CYS  45   5.971   3.580  -4.154
  293   1HB   CYS  45          2HB       CYS  45   6.419   0.906  -4.689
  294   2HB   CYS  45          1HB       CYS  45   6.278   0.929  -2.942
  295    H    ARG  46           H        ARG  46   9.018   3.256  -2.833
  296    HA   ARG  46           HA       ARG  46   8.352   4.632  -0.434
  297   1HB   ARG  46          2HB       ARG  46   7.687   1.903  -0.286
  298   2HB   ARG  46          1HB       ARG  46   9.186   2.071   0.630
  299   1HG   ARG  46          2HG       ARG  46   8.201   3.914   1.930
  300   2HG   ARG  46          1HG       ARG  46   6.705   3.776   1.005
  301   1HD   ARG  46          2HD       ARG  46   6.420   1.459   1.810
  302   2HD   ARG  46          1HD       ARG  46   7.911   1.602   2.742
  303    HE   ARG  46           HE       ARG  46   5.832   3.612   3.327
  304   1HH1  ARG  46          1HH1      ARG  46   8.192   1.635   4.593
  305   2HH1  ARG  46          2HH1      ARG  46   7.312   1.173   6.011
  306   1HH2  ARG  46          1HH2      ARG  46   4.333   2.595   4.948
  307   2HH2  ARG  46          2HH2      ARG  46   5.128   1.719   6.213
  308    H    ILE  47           H        ILE  47  10.247   4.583   1.166
  309    HA   ILE  47           HA       ILE  47  12.790   4.121  -0.342
  310    HB   ILE  47           HB       ILE  47  12.310   6.519   0.006
  311   1HG1  ILE  47          2HG1      ILE  47  14.409   7.046   1.346
  312   2HG1  ILE  47          1HG1      ILE  47  14.547   5.315   1.660
  313   1HG2  ILE  47          1HG2      ILE  47  12.705   6.370   2.927
  314   2HG2  ILE  47          2HG2      ILE  47  11.169   5.710   2.363
  315   3HG2  ILE  47          3HG2      ILE  47  11.602   7.379   1.990
  316   1HD1  ILE  47          1HD1      ILE  47  15.234   6.807  -0.740
  317   2HD1  ILE  47          2HD1      ILE  47  14.106   5.499  -1.101
  318   3HD1  ILE  47          3HD1      ILE  47  15.640   5.146  -0.305
  319    H    ALA  48           H        ALA  48  14.252   2.785   0.652
  320    HA   ALA  48           HA       ALA  48  13.552   1.294   2.970
  321   1HB   ALA  48          1HB       ALA  48  16.436   1.647   2.278
  322   2HB   ALA  48          2HB       ALA  48  15.385   0.912   1.069
  323   3HB   ALA  48          3HB       ALA  48  15.547   0.174   2.662
  324    H    ARG  49           H        ARG  49  15.719   1.299   4.676
  325    HA   ARG  49           HA       ARG  49  15.633   4.058   5.820
  326   1HB   ARG  49          2HB       ARG  49  16.106   1.640   7.488
  327   2HB   ARG  49          1HB       ARG  49  15.400   3.182   7.954
  328   1HG   ARG  49          2HG       ARG  49  14.084   1.180   6.096
  329   2HG   ARG  49          1HG       ARG  49  13.702   1.353   7.810
  330   1HD   ARG  49          2HD       ARG  49  13.439   3.535   5.720
  331   2HD   ARG  49          1HD       ARG  49  12.104   2.620   6.420
  332    HE   ARG  49           HE       ARG  49  13.354   4.887   7.636
  333   1HH1  ARG  49          1HH2      ARG  49  11.570   2.021   8.147
  334   2HH1  ARG  49          2HH2      ARG  49  11.470   2.214   9.865
  335   1HH2  ARG  49          1HH1      ARG  49  13.512   5.014   9.939
  336   2HH2  ARG  49          2HH1      ARG  49  12.569   3.908  10.879
  337    H    GLY  50           H        GLY  50  17.676   2.676   4.005
  338   1HA   GLY  50          2HA       GLY  50  20.018   3.789   5.161
  339   2HA   GLY  50          1HA       GLY  50  20.011   2.060   5.500
  340    H    ASP  51           H        ASP  51  20.393   0.620   3.808
  341    HA   ASP  51           HA       ASP  51  20.528   1.620   1.060
  342   1HB   ASP  51          2HB       ASP  51  22.869   1.243   2.737
  343   2HB   ASP  51          1HB       ASP  51  22.938   0.263   1.274
  344    H    TRP  52           H        TRP  52  19.173   0.080   0.215
  345    HA   TRP  52           HA       TRP  52  20.049  -2.609  -0.144
  346   1HB   TRP  52          2HB       TRP  52  17.805  -3.326   1.332
  347   2HB   TRP  52          1HB       TRP  52  19.476  -3.535   1.845
  348    HD1  TRP  52           HD1      TRP  52  17.260  -0.361   1.702
  349    HE1  TRP  52           HE1      TRP  52  17.355   0.783   4.007
  350    HE3  TRP  52           HE3      TRP  52  20.185  -3.690   4.208
  351    HZ2  TRP  52           HZ2      TRP  52  18.521   0.342   6.582
  352    HZ3  TRP  52           HZ3      TRP  52  20.782  -3.311   6.585
  353    HH2  TRP  52           HH2      TRP  52  19.952  -1.298   7.774
  354    H    ASN  53           H        ASN  53  17.610  -3.936  -0.439
  355    HA   ASN  53           HA       ASN  53  16.635  -2.856  -2.886
  356   1HB   ASN  53          2HB       ASN  53  15.710  -4.980  -0.992
  357   2HB   ASN  53          1HB       ASN  53  14.582  -4.418  -2.226
  358   1HD2  ASN  53          1HD2      ASN  53  18.022  -5.495  -1.957
  359   2HD2  ASN  53          2HD2      ASN  53  18.040  -6.290  -3.457
  360    H    ASP  54           H        ASP  54  14.506  -1.920  -3.315
  361    HA   ASP  54           HA       ASP  54  13.437  -0.396  -0.973
  362   1HB   ASP  54          2HB       ASP  54  14.369   0.485  -3.577
  363   2HB   ASP  54          1HB       ASP  54  12.715   1.008  -3.270
  364    H    ASP  55           H        ASP  55  11.120   0.526  -1.789
  365    HA   ASP  55           HA       ASP  55   9.528  -1.892  -2.291
  366   1HB   ASP  55          2HB       ASP  55   8.987   0.884  -1.393
  367   2HB   ASP  55          1HB       ASP  55   7.665   0.003  -2.147
  368    H    ARG  56           H        ARG  56  11.079  -1.279  -4.512
  369    HA   ARG  56           HA       ARG  56  10.241   0.406  -6.471
  370   1HB   ARG  56          2HB       ARG  56  11.961  -1.591  -6.499
  371   2HB   ARG  56          1HB       ARG  56  10.617  -2.456  -7.249
  372   1HG   ARG  56          2HG       ARG  56  11.888  -1.482  -9.039
  373   2HG   ARG  56          1HG       ARG  56  10.421  -0.518  -8.877
  374   1HD   ARG  56          2HD       ARG  56  12.407   0.932  -9.096
  375   2HD   ARG  56          1HD       ARG  56  11.651   1.133  -7.515
  376    HE   ARG  56           HE       ARG  56  13.587  -0.851  -7.155
  377   1HH1  ARG  56          1HH2      ARG  56  13.475   2.386  -8.355
  378   2HH1  ARG  56          2HH2      ARG  56  15.055   2.791  -7.774
  379   1HH2  ARG  56          1HH1      ARG  56  15.628  -0.317  -6.353
  380   2HH2  ARG  56          2HH1      ARG  56  16.272   1.265  -6.642
  381    H    CYS  57           H        CYS  57   8.062   0.920  -6.727
  382    HA   CYS  57           HA       CYS  57   5.836  -0.737  -6.482
  383   1HB   CYS  57          2HB       CYS  57   6.068   1.193  -8.790
  384   2HB   CYS  57          1HB       CYS  57   4.633   0.769  -7.871
  385    H    THR  58           H        THR  58   4.896  -2.315  -7.765
  386    HA   THR  58           HA       THR  58   6.612  -3.439  -9.887
  387    HB   THR  58           HB       THR  58   5.404  -5.420  -9.612
  388    HG1  THR  58           HG1      THR  58   3.281  -3.908  -8.499
  389   1HG2  THR  58          1HG2      THR  58   4.931  -4.048  -6.954
  390   2HG2  THR  58          2HG2      THR  58   6.504  -4.649  -7.475
  391   3HG2  THR  58          3HG2      THR  58   5.166  -5.773  -7.237
  392    H    GLY  59           H        GLY  59   5.244  -4.350 -11.853
  393   1HA   GLY  59          2HA       GLY  59   3.818  -2.007 -12.976
  394   2HA   GLY  59          1HA       GLY  59   4.439  -3.373 -13.902
  395    H    GLN  60           H        GLN  60   3.162  -5.130 -11.678
  396    HA   GLN  60           HA       GLN  60   0.553  -5.352 -13.049
  397   1HB   GLN  60          2HB       GLN  60   0.345  -7.477 -11.879
  398   2HB   GLN  60          1HB       GLN  60   1.962  -7.374 -12.580
  399   1HG   GLN  60          2HG       GLN  60   2.544  -6.288 -10.229
  400   2HG   GLN  60          1HG       GLN  60   1.122  -7.196  -9.713
  401   1HE2  GLN  60          1HE2      GLN  60   4.113  -7.671  -9.193
  402   2HE2  GLN  60          2HE2      GLN  60   4.367  -9.279  -9.671
  403    H    SER  61           H        SER  61   1.864  -4.044 -10.158
  404    HA   SER  61           HA       SER  61  -0.908  -3.657  -9.105
  405   1HB   SER  61          2HB       SER  61   0.979  -5.177  -7.847
  406   2HB   SER  61          1HB       SER  61   1.308  -3.596  -7.146
  407    HG   SER  61           HG       SER  61  -1.047  -5.143  -7.082
  408    H    ALA  62           H        ALA  62  -0.289  -1.852  -7.077
  409    HA   ALA  62           HA       ALA  62   1.464   0.249  -8.104
  410   1HB   ALA  62          1HB       ALA  62  -1.526   0.413  -8.378
  411   2HB   ALA  62          2HB       ALA  62  -0.284   0.831  -9.558
  412   3HB   ALA  62          3HB       ALA  62  -0.565   1.877  -8.167
  413    H    ASP  63           H        ASP  63   0.648  -1.338  -5.566
  414    HA   ASP  63           HA       ASP  63   0.174   1.026  -3.809
  415   1HB   ASP  63          2HB       ASP  63   0.018  -1.755  -2.773
  416   2HB   ASP  63          1HB       ASP  63  -0.908  -0.339  -2.296
  417    H    CYS  64           H        CYS  64   1.343   0.790  -1.615
  418    HA   CYS  64           HA       CYS  64   4.117  -0.132  -2.192
  419   1HB   CYS  64          2HB       CYS  64   3.205   1.991  -0.241
  420   2HB   CYS  64          1HB       CYS  64   4.874   1.569  -0.627
  421    HA   PRO  65           HA       PRO  65   3.015  -3.028   1.031
  422   1HB   PRO  65          2HB       PRO  65   4.925  -4.827   0.255
  423   2HB   PRO  65          1HB       PRO  65   3.324  -4.739  -0.479
  424   1HG   PRO  65          2HG       PRO  65   5.957  -3.870  -1.561
  425   2HG   PRO  65          1HG       PRO  65   4.487  -4.342  -2.430
  426   1HD   PRO  65          2HD       PRO  65   5.392  -1.697  -2.002
  427   2HD   PRO  65          1HD       PRO  65   3.785  -2.175  -2.588
  428    H    ARG  66           H        ARG  66   6.398  -3.775   0.523
  429    HA   ARG  66           HA       ARG  66   7.603  -1.910   2.288
  430   1HB   ARG  66          2HB       ARG  66   6.041  -3.971   3.593
  431   2HB   ARG  66          1HB       ARG  66   7.744  -4.119   4.030
  432   1HG   ARG  66          2HG       ARG  66   7.832  -1.854   4.809
  433   2HG   ARG  66          1HG       ARG  66   6.250  -1.488   4.119
  434   1HD   ARG  66          2HD       ARG  66   6.221  -1.895   6.611
  435   2HD   ARG  66          1HD       ARG  66   5.145  -2.948   5.692
  436    HE   ARG  66           HE       ARG  66   7.804  -4.085   6.153
  437   1HH1  ARG  66          1HH1      ARG  66   5.090  -5.504   5.884
  438   2HH1  ARG  66          2HH1      ARG  66   4.879  -6.101   7.495
  439   1HH2  ARG  66          1HH2      ARG  66   7.324  -4.056   8.859
  440   2HH2  ARG  66          2HH2      ARG  66   6.143  -5.282   9.178
  441    H    TYR  67           H        TYR  67   9.759  -2.899   3.194
  442    HA   TYR  67           HA       TYR  67  10.830  -5.302   2.135
  443   1HB   TYR  67          2HB       TYR  67  10.566  -3.282   0.175
  444   2HB   TYR  67          1HB       TYR  67  12.280  -3.386   0.570
  445    HD1  TYR  67           HD1      TYR  67   9.453  -5.044  -1.003
  446    HD2  TYR  67           HD2      TYR  67  13.466  -5.596   0.425
  447    HE1  TYR  67           HE1      TYR  67   9.632  -7.142  -2.314
  448    HE2  TYR  67           HE2      TYR  67  13.644  -7.693  -0.886
  449    HH   TYR  67           HH       TYR  67  12.289  -9.336  -1.910
  450    H    HIS  68           HN       HIS  68  10.926  -3.506   4.496
  451    HA   HIS  68           HA       HIS  68  13.800  -3.715   4.970
  452   1HB   HIS  68          2HB       HIS  68  13.745  -1.182   5.739
  453   2HB   HIS  68          1HB       HIS  68  14.090  -1.599   4.061
  454    HD1  HIS  68           HD1      HIS  68  11.925  -1.555   2.413
  455    HD2  HIS  68           HD2      HIS  68  11.504   0.423   6.058
  456    HE1  HIS  68           HE1      HIS  68   9.924  -0.022   2.169
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1 -14.726 -12.682   1.084
    2   2H    GLY   1          2HT       GLY   1 -13.771 -14.028   1.487
    3   3H    GLY   1          3HT       GLY   1 -13.551 -13.242  -0.003
    4   1HA   GLY   1          1HA       GLY   1 -13.280 -11.450   2.210
    5   2HA   GLY   1          2HA       GLY   1 -12.124 -12.782   2.269
    6    H    LYS   2           H        LYS   2 -11.539  -9.975   1.696
    7    HA   LYS   2           HA       LYS   2 -10.224  -8.734   0.207
    8   1HB   LYS   2          2HB       LYS   2  -9.154 -11.216   0.208
    9   2HB   LYS   2          1HB       LYS   2  -9.627 -11.102  -1.487
   10   1HG   LYS   2          2HG       LYS   2  -8.504  -8.726  -1.348
   11   2HG   LYS   2          1HG       LYS   2  -7.671  -9.415   0.046
   12   1HD   LYS   2          2HD       LYS   2  -6.961 -11.339  -1.397
   13   2HD   LYS   2          1HD       LYS   2  -7.670 -10.507  -2.781
   14   1HE   LYS   2          2HE       LYS   2  -6.183  -8.555  -2.326
   15   2HE   LYS   2          1HE       LYS   2  -5.426  -9.470  -1.024
   16   1HZ   LYS   2          1HZ       LYS   2  -4.075 -10.291  -2.557
   17   2HZ   LYS   2          2HZ       LYS   2  -4.983  -9.626  -3.830
   18   3HZ   LYS   2          3HZ       LYS   2  -5.394 -11.147  -3.193
   19    H    GLU   3           H        GLU   3 -12.848  -8.506  -0.366
   20    HA   GLU   3           HA       GLU   3 -12.986  -8.834  -3.340
   21   1HB   GLU   3          2HB       GLU   3 -15.413  -8.943  -3.123
   22   2HB   GLU   3          1HB       GLU   3 -14.691 -10.155  -2.066
   23   1HG   GLU   3          2HG       GLU   3 -14.941  -8.681  -0.135
   24   2HG   GLU   3          1HG       GLU   3 -15.565  -7.394  -1.168
   25    H    CYS   4           H        CYS   4 -11.666  -6.639  -2.196
   26    HA   CYS   4           HA       CYS   4 -13.468  -4.457  -3.088
   27   1HB   CYS   4          2HB       CYS   4 -11.987  -4.527  -0.446
   28   2HB   CYS   4          1HB       CYS   4 -12.633  -3.046  -1.153
   29    H    ASP   5           H        ASP   5 -12.007  -4.617  -4.969
   30    HA   ASP   5           HA       ASP   5  -9.240  -4.432  -5.029
   31   1HB   ASP   5          2HB       ASP   5 -11.411  -3.560  -6.810
   32   2HB   ASP   5          1HB       ASP   5  -9.926  -2.635  -7.001
   33    H    CYS   6           H        CYS   6 -11.521  -1.945  -4.063
   34    HA   CYS   6           HA       CYS   6  -9.184  -0.214  -3.384
   35   1HB   CYS   6          2HB       CYS   6 -10.204   1.692  -4.237
   36   2HB   CYS   6          1HB       CYS   6 -10.812   0.486  -5.363
   37    H    SER   7           H        SER   7 -10.322   1.664  -1.795
   38    HA   SER   7           HA       SER   7 -11.898   0.132   0.229
   39   1HB   SER   7          2HB       SER   7 -10.534   1.049   2.008
   40   2HB   SER   7          1HB       SER   7  -9.458   0.292   0.837
   41    HG   SER   7           HG       SER   7  -9.687   2.906   1.585
   42    H    SER   8           H        SER   8 -11.843   2.761  -1.781
   43    HA   SER   8           HA       SER   8 -13.496   4.386   0.104
   44   1HB   SER   8          2HB       SER   8 -11.314   5.121  -1.563
   45   2HB   SER   8          1HB       SER   8 -12.761   5.885  -2.208
   46    HG   SER   8           HG       SER   8 -11.844   7.177  -0.598
   47    HA   PRO   9           HA       PRO   9 -16.821   3.449  -2.666
   48   1HB   PRO   9          2HB       PRO   9 -18.659   5.135  -1.513
   49   2HB   PRO   9          1HB       PRO   9 -18.195   3.572  -0.819
   50   1HG   PRO   9          2HG       PRO   9 -17.453   6.315   0.075
   51   2HG   PRO   9          1HG       PRO   9 -17.534   4.813   1.011
   52   1HD   PRO   9          2HD       PRO   9 -15.176   6.044   0.013
   53   2HD   PRO   9          1HD       PRO   9 -15.299   4.414   0.707
   54    H    GLU  10           H        GLU  10 -15.649   6.716  -2.098
   55    HA   GLU  10           HA       GLU  10 -17.205   7.869  -4.300
   56   1HB   GLU  10          2HB       GLU  10 -15.279   8.853  -2.262
   57   2HB   GLU  10          1HB       GLU  10 -15.315   9.740  -3.787
   58   1HG   GLU  10          2HG       GLU  10 -18.014   9.260  -3.121
   59   2HG   GLU  10          1HG       GLU  10 -17.234   9.774  -1.624
   60    H    ASN  11           H        ASN  11 -14.329   6.082  -4.015
   61    HA   ASN  11           HA       ASN  11 -12.810   7.260  -6.144
   62   1HB   ASN  11          2HB       ASN  11 -12.057   5.587  -4.313
   63   2HB   ASN  11          1HB       ASN  11 -12.689   4.346  -5.395
   64   1HD2  ASN  11          1HD2      ASN  11  -9.815   5.578  -4.594
   65   2HD2  ASN  11          2HD2      ASN  11  -9.027   5.582  -6.095
   66    HA   PRO  12           HA       PRO  12 -15.375   5.670  -9.428
   67   1HB   PRO  12          2HB       PRO  12 -13.854   6.701 -11.474
   68   2HB   PRO  12          1HB       PRO  12 -14.998   7.662 -10.524
   69   1HG   PRO  12          2HG       PRO  12 -12.021   7.640 -10.411
   70   2HG   PRO  12          1HG       PRO  12 -13.150   8.933  -9.974
   71   1HD   PRO  12          2HD       PRO  12 -11.813   7.205  -8.166
   72   2HD   PRO  12          1HD       PRO  12 -13.161   8.293  -7.775
   73    H    CYS  13           H        CYS  13 -11.858   5.246  -9.302
   74    HA   CYS  13           HA       CYS  13 -11.581   3.283 -11.344
   75   1HB   CYS  13          2HB       CYS  13 -10.027   3.896  -8.840
   76   2HB   CYS  13          1HB       CYS  13  -9.599   2.514  -9.845
   77    H    CYS  14           H        CYS  14 -13.273   3.071  -8.376
   78    HA   CYS  14           HA       CYS  14 -13.424   0.137  -8.795
   79   1HB   CYS  14          2HB       CYS  14 -13.236  -0.319  -6.431
   80   2HB   CYS  14          1HB       CYS  14 -11.840   0.639  -6.924
   81    H    ASP  15           H        ASP  15 -15.451  -0.364  -9.194
   82    HA   ASP  15           HA       ASP  15 -17.721   1.233  -8.879
   83   1HB   ASP  15          2HB       ASP  15 -17.197  -1.278  -9.853
   84   2HB   ASP  15          1HB       ASP  15 -18.178  -1.621  -8.436
   85    H    ALA  16           H        ALA  16 -18.809   1.907  -7.090
   86    HA   ALA  16           HA       ALA  16 -18.021   1.021  -4.457
   87   1HB   ALA  16          1HB       ALA  16 -19.549   3.170  -5.585
   88   2HB   ALA  16          2HB       ALA  16 -18.912   3.023  -3.947
   89   3HB   ALA  16          3HB       ALA  16 -20.512   2.389  -4.332
   90    H    ALA  17           H        ALA  17 -20.146  -0.219  -6.785
   91    HA   ALA  17           HA       ALA  17 -22.191  -1.280  -5.039
   92   1HB   ALA  17          1HB       ALA  17 -21.270  -2.083  -7.815
   93   2HB   ALA  17          2HB       ALA  17 -22.663  -1.083  -7.402
   94   3HB   ALA  17          3HB       ALA  17 -22.661  -2.800  -7.001
   95    H    THR  18           H        THR  18 -18.938  -2.166  -5.715
   96    HA   THR  18           HA       THR  18 -19.181  -4.468  -3.895
   97    HB   THR  18           HB       THR  18 -19.602  -5.667  -5.903
   98    HG1  THR  18           HG1      THR  18 -17.729  -6.343  -4.597
   99   1HG2  THR  18          1HG2      THR  18 -18.627  -5.216  -7.998
  100   2HG2  THR  18          2HG2      THR  18 -17.270  -4.348  -7.280
  101   3HG2  THR  18          3HG2      THR  18 -18.873  -3.612  -7.308
  102    H    CYS  19           H        CYS  19 -17.852  -1.829  -3.963
  103    HA   CYS  19           HA       CYS  19 -15.707  -0.849  -3.758
  104   1HB   CYS  19          2HB       CYS  19 -14.387  -2.020  -1.964
  105   2HB   CYS  19          1HB       CYS  19 -16.065  -1.708  -1.537
  106    H    LYS  20           H        LYS  20 -15.901  -2.759  -6.071
  107    HA   LYS  20           HA       LYS  20 -13.035  -3.595  -6.098
  108   1HB   LYS  20          2HB       LYS  20 -15.435  -4.770  -7.507
  109   2HB   LYS  20          1HB       LYS  20 -13.778  -5.132  -7.997
  110   1HG   LYS  20          2HG       LYS  20 -13.278  -6.223  -5.989
  111   2HG   LYS  20          1HG       LYS  20 -14.592  -5.432  -5.117
  112   1HD   LYS  20          2HD       LYS  20 -15.705  -7.387  -5.458
  113   2HD   LYS  20          1HD       LYS  20 -15.965  -6.757  -7.086
  114   1HE   LYS  20          2HE       LYS  20 -14.670  -8.366  -7.978
  115   2HE   LYS  20          1HE       LYS  20 -13.343  -7.963  -6.888
  116   1HZ   LYS  20          1HZ       LYS  20 -15.589  -9.390  -5.715
  117   2HZ   LYS  20          2HZ       LYS  20 -13.922  -9.566  -5.437
  118   3HZ   LYS  20          3HZ       LYS  20 -14.637 -10.273  -6.807
  119    H    LEU  21           H        LEU  21 -12.358  -3.737  -8.643
  120    HA   LEU  21           HA       LEU  21 -12.276  -1.022  -9.540
  121   1HB   LEU  21          2HB       LEU  21 -11.487  -3.657 -10.707
  122   2HB   LEU  21          1HB       LEU  21 -11.560  -2.250 -11.770
  123    HG   LEU  21           HG       LEU  21 -10.102  -2.176  -9.128
  124   1HD1  LEU  21          1HD1      LEU  21  -8.446  -3.433  -9.982
  125   2HD1  LEU  21          2HD1      LEU  21  -8.299  -2.315 -11.338
  126   3HD1  LEU  21          3HD1      LEU  21  -9.396  -3.691 -11.445
  127   1HD2  LEU  21          1HD2      LEU  21  -8.914  -0.522 -11.049
  128   2HD2  LEU  21          2HD2      LEU  21  -9.950  -0.011  -9.717
  129   3HD2  LEU  21          3HD2      LEU  21 -10.650  -0.335 -11.303
  130    H    ARG  22           H        ARG  22 -13.757   0.118 -10.669
  131    HA   ARG  22           HA       ARG  22 -16.177  -1.249 -11.605
  132   1HB   ARG  22          2HB       ARG  22 -16.867   0.728 -10.688
  133   2HB   ARG  22          1HB       ARG  22 -15.371   1.563 -11.072
  134   1HG   ARG  22          2HG       ARG  22 -16.059   1.967 -13.318
  135   2HG   ARG  22          1HG       ARG  22 -17.362   0.783 -13.211
  136   1HD   ARG  22          2HD       ARG  22 -17.996   2.482 -11.153
  137   2HD   ARG  22          1HD       ARG  22 -17.306   3.596 -12.332
  138    HE   ARG  22           HE       ARG  22 -19.262   1.744 -13.471
  139   1HH1  ARG  22          1HH2      ARG  22 -18.888   4.588 -11.577
  140   2HH1  ARG  22          2HH2      ARG  22 -20.229   5.410 -12.299
  141   1HH2  ARG  22          1HH1      ARG  22 -20.915   2.870 -14.557
  142   2HH2  ARG  22          2HH1      ARG  22 -21.378   4.439 -13.985
  143    HA   PRO  23           HA       PRO  23 -14.637   0.353 -15.815
  144   1HB   PRO  23          2HB       PRO  23 -12.216   1.645 -15.917
  145   2HB   PRO  23          1HB       PRO  23 -13.756   2.480 -15.648
  146   1HG   PRO  23          2HG       PRO  23 -11.594   1.851 -13.693
  147   2HG   PRO  23          1HG       PRO  23 -12.782   3.165 -13.668
  148   1HD   PRO  23          2HD       PRO  23 -12.912   0.789 -12.142
  149   2HD   PRO  23          1HD       PRO  23 -14.237   1.945 -12.392
  150    H    GLY  24           H        GLY  24 -12.347   0.020 -17.226
  151   1HA   GLY  24          2HA       GLY  24 -11.528  -2.726 -16.496
  152   2HA   GLY  24          1HA       GLY  24 -11.201  -1.923 -18.034
  153    H    ALA  25           H        ALA  25 -10.598  -0.073 -15.200
  154    HA   ALA  25           HA       ALA  25  -7.862   0.359 -15.807
  155   1HB   ALA  25          1HB       ALA  25  -7.724   1.444 -13.635
  156   2HB   ALA  25          2HB       ALA  25  -9.181   0.613 -13.089
  157   3HB   ALA  25          3HB       ALA  25  -9.286   1.833 -14.357
  158    H    GLN  26           H        GLN  26  -6.139  -0.134 -13.955
  159    HA   GLN  26           HA       GLN  26  -6.337  -3.065 -13.396
  160   1HB   GLN  26          2HB       GLN  26  -4.311  -1.483 -14.673
  161   2HB   GLN  26          1HB       GLN  26  -3.643  -2.203 -13.209
  162   1HG   GLN  26          2HG       GLN  26  -3.754  -4.312 -14.053
  163   2HG   GLN  26          1HG       GLN  26  -5.323  -4.025 -14.810
  164   1HE2  GLN  26          1HE2      GLN  26  -5.286  -3.853 -17.058
  165   2HE2  GLN  26          2HE2      GLN  26  -3.908  -3.497 -17.983
  166    H    CYS  27           H        CYS  27  -6.696  -0.211 -11.877
  167    HA   CYS  27           HA       CYS  27  -6.422  -1.249  -9.251
  168   1HB   CYS  27          2HB       CYS  27  -4.401  -0.226  -8.458
  169   2HB   CYS  27          1HB       CYS  27  -3.974  -1.107  -9.925
  170    H    GLY  28           H        GLY  28  -7.078   0.328  -7.660
  171   1HA   GLY  28          2HA       GLY  28  -8.021   2.901  -8.865
  172   2HA   GLY  28          1HA       GLY  28  -8.984   1.997  -7.697
  173    H    GLU  29           H        GLU  29  -6.171   1.396  -6.415
  174    HA   GLU  29           HA       GLU  29  -5.180   3.891  -5.425
  175   1HB   GLU  29          2HB       GLU  29  -6.170   3.987  -3.234
  176   2HB   GLU  29          1HB       GLU  29  -7.495   3.870  -4.391
  177   1HG   GLU  29          2HG       GLU  29  -7.633   1.442  -4.001
  178   2HG   GLU  29          1HG       GLU  29  -6.299   1.547  -2.853
  179    H    GLY  30           H        GLY  30  -3.214   3.469  -4.525
  180   1HA   GLY  30          2HA       GLY  30  -2.602   1.314  -2.785
  181   2HA   GLY  30          1HA       GLY  30  -2.150   0.832  -4.420
  182    H    LEU  31           H        LEU  31   0.027   0.921  -3.044
  183    HA   LEU  31           HA       LEU  31   1.168   3.507  -2.522
  184   1HB   LEU  31          2HB       LEU  31   1.991   0.769  -2.334
  185   2HB   LEU  31          1HB       LEU  31   3.266   1.720  -3.087
  186    HG   LEU  31           HG       LEU  31   3.436   1.687  -0.594
  187   1HD1  LEU  31          1HD1      LEU  31   3.974   3.971  -0.413
  188   2HD1  LEU  31          2HD1      LEU  31   2.647   4.462  -1.467
  189   3HD1  LEU  31          3HD1      LEU  31   4.072   3.678  -2.149
  190   1HD2  LEU  31          1HD2      LEU  31   1.207   3.558  -0.231
  191   2HD2  LEU  31          2HD2      LEU  31   1.658   2.153   0.735
  192   3HD2  LEU  31          3HD2      LEU  31   0.677   1.948  -0.716
  193    H    CYS  32           H        CYS  32   0.661   1.707  -5.403
  194    HA   CYS  32           HA       CYS  32   2.048   3.818  -6.945
  195   1HB   CYS  32          2HB       CYS  32   2.532   1.050  -7.921
  196   2HB   CYS  32          1HB       CYS  32   3.577   2.467  -8.001
  197    H    CYS  33           H        CYS  33  -0.603   3.823  -6.887
  198    HA   CYS  33           HA       CYS  33  -1.449   2.265  -9.295
  199   1HB   CYS  33          2HB       CYS  33  -2.802   1.630  -7.401
  200   2HB   CYS  33          1HB       CYS  33  -3.091   3.314  -6.973
  201    H    GLU  34           H        GLU  34  -1.054   3.672 -10.958
  202    HA   GLU  34           HA       GLU  34  -1.364   6.515 -10.802
  203   1HB   GLU  34          2HB       GLU  34  -0.299   4.775 -12.630
  204   2HB   GLU  34          1HB       GLU  34  -1.768   5.304 -13.442
  205   1HG   GLU  34          2HG       GLU  34  -1.116   7.553 -13.458
  206   2HG   GLU  34          1HG       GLU  34   0.030   7.325 -12.135
  207    H    GLN  35           H        GLN  35  -2.969   7.364 -12.817
  208    HA   GLN  35           HA       GLN  35  -5.569   7.302 -11.692
  209   1HB   GLN  35          2HB       GLN  35  -4.504   8.936 -13.431
  210   2HB   GLN  35          1HB       GLN  35  -5.118   7.793 -14.626
  211   1HG   GLN  35          2HG       GLN  35  -7.349   8.196 -14.064
  212   2HG   GLN  35          1HG       GLN  35  -6.940   8.790 -12.454
  213   1HE2  GLN  35          1HE2      GLN  35  -8.593  10.456 -13.860
  214   2HE2  GLN  35          2HE2      GLN  35  -7.748  11.799 -14.464
  215    H    CYS  36           H        CYS  36  -6.137   5.073 -11.373
  216    HA   CYS  36           HA       CYS  36  -7.166   3.051 -11.983
  217   1HB   CYS  36          2HB       CYS  36  -7.962   5.018 -14.031
  218   2HB   CYS  36          1HB       CYS  36  -8.047   3.342 -14.566
  219    H    LYS  37           H        LYS  37  -4.364   3.123 -12.338
  220    HA   LYS  37           HA       LYS  37  -4.076   1.069 -14.405
  221   1HB   LYS  37          2HB       LYS  37  -3.524   3.800 -15.053
  222   2HB   LYS  37          1HB       LYS  37  -1.993   2.927 -14.999
  223   1HG   LYS  37          2HG       LYS  37  -2.456   1.982 -16.984
  224   2HG   LYS  37          1HG       LYS  37  -3.911   1.256 -16.299
  225   1HD   LYS  37          2HD       LYS  37  -4.610   3.928 -16.649
  226   2HD   LYS  37          1HD       LYS  37  -3.658   3.548 -18.086
  227   1HE   LYS  37          2HE       LYS  37  -5.982   1.887 -17.067
  228   2HE   LYS  37          1HE       LYS  37  -6.077   3.044 -18.397
  229   1HZ   LYS  37          1HZ       LYS  37  -4.135   1.707 -19.359
  230   2HZ   LYS  37          2HZ       LYS  37  -5.693   1.037 -19.451
  231   3HZ   LYS  37          3HZ       LYS  37  -4.600   0.495 -18.268
  232    H    PHE  38           H        PHE  38  -2.284  -0.235 -14.011
  233    HA   PHE  38           HA       PHE  38  -1.068  -0.133 -11.413
  234   1HB   PHE  38          2HB       PHE  38  -0.746  -1.754 -13.890
  235   2HB   PHE  38          1HB       PHE  38   0.630  -1.729 -12.789
  236    HD1  PHE  38           HD1      PHE  38  -0.430  -1.675 -10.144
  237    HD2  PHE  38           HD2      PHE  38  -2.001  -3.684 -13.601
  238    HE1  PHE  38           HE1      PHE  38  -1.583  -3.309  -8.675
  239    HE2  PHE  38           HE2      PHE  38  -3.156  -5.313 -12.130
  240    HZ   PHE  38           HZ       PHE  38  -2.948  -5.124  -9.667
  241    H    SER  39           H        SER  39   0.686   1.066 -10.752
  242    HA   SER  39           HA       SER  39   1.911   3.027 -12.359
  243   1HB   SER  39          2HB       SER  39   2.557   1.764  -9.769
  244   2HB   SER  39          1HB       SER  39   3.908   2.513 -10.601
  245    HG   SER  39           HG       SER  39   3.011   4.424 -10.351
  246    H    ARG  40           H        ARG  40   3.934   3.042 -13.498
  247    HA   ARG  40           HA       ARG  40   4.580   0.508 -14.747
  248   1HB   ARG  40          2HB       ARG  40   6.156   3.043 -14.998
  249   2HB   ARG  40          1HB       ARG  40   6.024   1.737 -16.167
  250   1HG   ARG  40          2HG       ARG  40   3.677   3.443 -15.298
  251   2HG   ARG  40          1HG       ARG  40   4.648   3.783 -16.730
  252   1HD   ARG  40          2HD       ARG  40   4.148   1.333 -17.405
  253   2HD   ARG  40          1HD       ARG  40   2.871   1.407 -16.190
  254    HE   ARG  40           HE       ARG  40   2.821   3.627 -18.101
  255   1HH1  ARG  40          1HH1      ARG  40   2.079   0.298 -17.680
  256   2HH1  ARG  40          2HH1      ARG  40   0.579   0.381 -18.542
  257   1HH2  ARG  40          1HH2      ARG  40   0.769   3.802 -19.077
  258   2HH2  ARG  40          2HH2      ARG  40  -0.163   2.364 -19.334
  259    H    ALA  41           H        ALA  41   6.330  -0.815 -14.275
  260    HA   ALA  41           HA       ALA  41   7.509  -0.900 -11.777
  261   1HB   ALA  41          1HB       ALA  41   9.603  -1.764 -13.323
  262   2HB   ALA  41          2HB       ALA  41   8.249  -1.928 -14.441
  263   3HB   ALA  41          3HB       ALA  41   8.213  -2.758 -12.885
  264    H    GLY  42           H        GLY  42   9.436  -0.062 -10.860
  265   1HA   GLY  42          2HA       GLY  42  11.414   1.332 -10.924
  266   2HA   GLY  42          1HA       GLY  42  10.764   2.108 -12.357
  267    H    LYS  43           H        LYS  43   8.500   1.496  -9.844
  268    HA   LYS  43           HA       LYS  43   8.450   4.409  -9.265
  269   1HB   LYS  43          2HB       LYS  43   6.310   3.694  -9.993
  270   2HB   LYS  43          1HB       LYS  43   6.390   2.220  -9.033
  271   1HG   LYS  43          2HG       LYS  43   4.899   3.777  -7.918
  272   2HG   LYS  43          1HG       LYS  43   6.368   3.634  -6.964
  273   1HD   LYS  43          2HD       LYS  43   6.907   5.810  -7.279
  274   2HD   LYS  43          1HD       LYS  43   6.559   5.721  -9.006
  275   1HE   LYS  43          2HE       LYS  43   4.054   5.516  -7.756
  276   2HE   LYS  43          1HE       LYS  43   4.907   6.772  -6.859
  277   1HZ   LYS  43          1HZ       LYS  43   3.623   7.456  -8.935
  278   2HZ   LYS  43          2HZ       LYS  43   4.892   6.742  -9.812
  279   3HZ   LYS  43          3HZ       LYS  43   5.206   8.040  -8.764
  280    H    ILE  44           H        ILE  44   9.145   5.107  -7.272
  281    HA   ILE  44           HA       ILE  44   9.976   3.082  -5.311
  282    HB   ILE  44           HB       ILE  44  11.384   5.070  -5.740
  283   1HG1  ILE  44          2HG1      ILE  44  11.706   5.711  -3.359
  284   2HG1  ILE  44          1HG1      ILE  44  10.163   4.957  -2.960
  285   1HG2  ILE  44          1HG2      ILE  44   9.167   6.482  -6.005
  286   2HG2  ILE  44          2HG2      ILE  44  10.642   7.244  -5.411
  287   3HG2  ILE  44          3HG2      ILE  44   9.383   6.752  -4.277
  288   1HD1  ILE  44          1HD1      ILE  44  11.673   3.063  -4.457
  289   2HD1  ILE  44          2HD1      ILE  44  11.196   2.972  -2.762
  290   3HD1  ILE  44          3HD1      ILE  44  12.731   3.717  -3.207
  291    H    CYS  45           H        CYS  45   8.217   2.188  -4.340
  292    HA   CYS  45           HA       CYS  45   5.906   3.759  -3.478
  293   1HB   CYS  45          2HB       CYS  45   5.256   1.587  -2.378
  294   2HB   CYS  45          1HB       CYS  45   5.539   1.463  -4.110
  295    H    ARG  46           H        ARG  46   9.004   3.235  -2.179
  296    HA   ARG  46           HA       ARG  46   8.162   4.443   0.343
  297   1HB   ARG  46          2HB       ARG  46   8.259   1.603   0.126
  298   2HB   ARG  46          1HB       ARG  46   9.593   2.113   1.162
  299   1HG   ARG  46          2HG       ARG  46   8.184   2.633   2.842
  300   2HG   ARG  46          1HG       ARG  46   7.174   3.603   1.769
  301   1HD   ARG  46          2HD       ARG  46   5.742   1.859   1.308
  302   2HD   ARG  46          1HD       ARG  46   7.003   0.640   1.489
  303    HE   ARG  46           HE       ARG  46   6.609   0.634   3.855
  304   1HH1  ARG  46          1HH1      ARG  46   5.415   3.564   2.655
  305   2HH1  ARG  46          2HH1      ARG  46   4.061   3.641   3.733
  306   1HH2  ARG  46          1HH2      ARG  46   4.573   0.467   5.031
  307   2HH2  ARG  46          2HH2      ARG  46   3.584   1.888   5.077
  308    H    ILE  47           H        ILE  47  10.160   4.281   1.954
  309    HA   ILE  47           HA       ILE  47  12.645   4.837   0.381
  310    HB   ILE  47           HB       ILE  47  11.556   6.896   1.322
  311   1HG1  ILE  47          2HG1      ILE  47  13.625   7.644   2.628
  312   2HG1  ILE  47          1HG1      ILE  47  14.236   6.003   2.414
  313   1HG2  ILE  47          1HG2      ILE  47  12.050   5.409   3.914
  314   2HG2  ILE  47          2HG2      ILE  47  10.508   6.002   3.294
  315   3HG2  ILE  47          3HG2      ILE  47  11.738   7.143   3.840
  316   1HD1  ILE  47          1HD1      ILE  47  13.658   8.081   0.307
  317   2HD1  ILE  47          2HD1      ILE  47  13.736   6.367  -0.104
  318   3HD1  ILE  47          3HD1      ILE  47  15.146   7.175   0.580
  319    H    ALA  48           H        ALA  48  14.653   4.370   1.628
  320    HA   ALA  48           HA       ALA  48  14.190   2.301   3.706
  321   1HB   ALA  48          1HB       ALA  48  16.374   2.493   1.636
  322   2HB   ALA  48          2HB       ALA  48  15.078   1.297   1.692
  323   3HB   ALA  48          3HB       ALA  48  16.334   1.296   2.931
  324    H    ARG  49           H        ARG  49  14.921   2.806   5.677
  325    HA   ARG  49           HA       ARG  49  17.238   4.679   5.878
  326   1HB   ARG  49          2HB       ARG  49  16.245   5.576   7.912
  327   2HB   ARG  49          1HB       ARG  49  15.184   5.838   6.529
  328   1HG   ARG  49          2HG       ARG  49  14.624   3.267   7.702
  329   2HG   ARG  49          1HG       ARG  49  14.547   4.509   8.950
  330   1HD   ARG  49          2HD       ARG  49  12.662   5.420   8.079
  331   2HD   ARG  49          1HD       ARG  49  13.280   5.321   6.430
  332    HE   ARG  49           HE       ARG  49  12.162   3.251   6.191
  333   1HH1  ARG  49          1HH2      ARG  49  10.082   4.184   8.061
  334   2HH1  ARG  49          2HH2      ARG  49  10.067   2.949   9.276
  335   1HH2  ARG  49          1HH1      ARG  49  13.155   1.654   8.374
  336   2HH2  ARG  49          2HH1      ARG  49  11.808   1.518   9.454
  337    H    GLY  50           H        GLY  50  15.897   1.690   6.722
  338   1HA   GLY  50          2HA       GLY  50  17.943   1.283   8.838
  339   2HA   GLY  50          1HA       GLY  50  16.434   0.363   8.753
  340    H    ASP  51           H        ASP  51  16.211  -1.212   7.091
  341    HA   ASP  51           HA       ASP  51  18.628  -2.414   6.084
  342   1HB   ASP  51          2HB       ASP  51  15.740  -2.816   5.851
  343   2HB   ASP  51          1HB       ASP  51  16.612  -3.187   4.374
  344    H    TRP  52           H        TRP  52  18.608  -2.539   3.359
  345    HA   TRP  52           HA       TRP  52  17.663   0.065   2.431
  346   1HB   TRP  52          2HB       TRP  52  20.552  -0.633   2.670
  347   2HB   TRP  52          1HB       TRP  52  19.994   0.542   1.465
  348    HD1  TRP  52           HD1      TRP  52  17.940   2.234   2.684
  349    HE1  TRP  52           HE1      TRP  52  18.234   3.606   4.810
  350    HE3  TRP  52           HE3      TRP  52  21.723  -0.362   4.857
  351    HZ2  TRP  52           HZ2      TRP  52  19.808   3.609   7.135
  352    HZ3  TRP  52           HZ3      TRP  52  22.606   0.347   7.077
  353    HH2  TRP  52           HH2      TRP  52  21.637   2.334   8.224
  354    H    ASN  53           H        ASN  53  16.295  -0.981   1.188
  355    HA   ASN  53           HA       ASN  53  17.275  -1.785  -1.452
  356   1HB   ASN  53          2HB       ASN  53  16.725  -3.809   0.388
  357   2HB   ASN  53          1HB       ASN  53  15.209  -3.645  -0.499
  358   1HD2  ASN  53          1HD2      ASN  53  17.211  -5.877  -0.681
  359   2HD2  ASN  53          2HD2      ASN  53  17.683  -5.930  -2.311
  360    H    ASP  54           H        ASP  54  16.203   0.181  -2.028
  361    HA   ASP  54           HA       ASP  54  13.648   0.994  -1.165
  362   1HB   ASP  54          2HB       ASP  54  13.610   2.115  -3.552
  363   2HB   ASP  54          1HB       ASP  54  14.791   2.643  -2.353
  364    H    ASP  55           H        ASP  55  11.591   0.403  -1.707
  365    HA   ASP  55           HA       ASP  55  11.256  -1.985  -3.372
  366   1HB   ASP  55          2HB       ASP  55   9.414  -0.339  -1.686
  367   2HB   ASP  55          1HB       ASP  55   8.790  -1.584  -2.760
  368    H    ARG  56           H        ARG  56  11.500  -1.489  -5.515
  369    HA   ARG  56           HA       ARG  56  10.218   0.939  -6.612
  370   1HB   ARG  56          2HB       ARG  56  12.598  -0.151  -7.154
  371   2HB   ARG  56          1HB       ARG  56  11.635  -1.053  -8.325
  372   1HG   ARG  56          2HG       ARG  56  12.401   0.927  -9.435
  373   2HG   ARG  56          1HG       ARG  56  10.688   1.160  -9.092
  374   1HD   ARG  56          2HD       ARG  56  12.347   3.092  -8.534
  375   2HD   ARG  56          1HD       ARG  56  11.110   2.669  -7.352
  376    HE   ARG  56           HE       ARG  56  12.832   1.551  -6.031
  377   1HH1  ARG  56          1HH2      ARG  56  14.298   1.689  -8.973
  378   2HH1  ARG  56          2HH2      ARG  56  15.775   2.415  -8.438
  379   1HH2  ARG  56          1HH1      ARG  56  14.577   3.149  -5.268
  380   2HH2  ARG  56          2HH1      ARG  56  15.934   3.242  -6.340
  381    H    CYS  57           H        CYS  57   8.006   0.287  -6.402
  382    HA   CYS  57           HA       CYS  57   6.488  -1.818  -6.920
  383   1HB   CYS  57          2HB       CYS  57   5.939   0.452  -8.811
  384   2HB   CYS  57          1HB       CYS  57   4.798  -0.519  -7.893
  385    H    THR  58           H        THR  58   6.129  -3.353  -8.457
  386    HA   THR  58           HA       THR  58   7.970  -3.554 -10.692
  387    HB   THR  58           HB       THR  58   7.018  -5.699 -11.052
  388    HG1  THR  58           HG1      THR  58   4.964  -6.211 -10.413
  389   1HG2  THR  58          1HG2      THR  58   7.469  -4.793  -8.334
  390   2HG2  THR  58          2HG2      THR  58   7.891  -6.336  -9.076
  391   3HG2  THR  58          3HG2      THR  58   6.293  -6.107  -8.367
  392    H    GLY  59           H        GLY  59   6.188  -4.675 -12.650
  393   1HA   GLY  59          2HA       GLY  59   5.034  -2.141 -13.682
  394   2HA   GLY  59          1HA       GLY  59   5.398  -3.568 -14.651
  395    H    GLN  60           H        GLN  60   3.943  -4.648 -11.869
  396    HA   GLN  60           HA       GLN  60   1.170  -4.233 -12.827
  397   1HB   GLN  60          2HB       GLN  60   2.482  -6.949 -12.518
  398   2HB   GLN  60          1HB       GLN  60   0.743  -6.705 -12.688
  399   1HG   GLN  60          2HG       GLN  60   1.668  -5.225 -14.782
  400   2HG   GLN  60          1HG       GLN  60   2.882  -6.504 -14.720
  401   1HE2  GLN  60          1HE2      GLN  60   0.934  -8.498 -13.606
  402   2HE2  GLN  60          2HE2      GLN  60  -0.072  -8.926 -14.905
  403    H    SER  61           H        SER  61   2.955  -3.647 -10.389
  404    HA   SER  61           HA       SER  61   1.232  -4.996  -8.350
  405   1HB   SER  61          2HB       SER  61   3.436  -5.583  -7.799
  406   2HB   SER  61          1HB       SER  61   4.078  -4.020  -8.295
  407    HG   SER  61           HG       SER  61   3.019  -4.826  -5.899
  408    H    ALA  62           H        ALA  62  -0.136  -3.711  -7.208
  409    HA   ALA  62           HA       ALA  62   0.122  -0.763  -7.550
  410   1HB   ALA  62          1HB       ALA  62  -2.069  -1.596  -8.140
  411   2HB   ALA  62          2HB       ALA  62  -2.226  -0.752  -6.599
  412   3HB   ALA  62          3HB       ALA  62  -2.180  -2.515  -6.638
  413    H    ASP  63           H        ASP  63   0.385  -3.316  -5.217
  414    HA   ASP  63           HA       ASP  63   0.376  -1.391  -2.964
  415   1HB   ASP  63          2HB       ASP  63   0.899  -4.326  -2.730
  416   2HB   ASP  63          1HB       ASP  63   0.231  -3.236  -1.524
  417    H    CYS  64           H        CYS  64   2.263  -2.287  -1.272
  418    HA   CYS  64           HA       CYS  64   4.776  -2.632  -2.801
  419   1HB   CYS  64          2HB       CYS  64   4.583  -0.229  -2.685
  420   2HB   CYS  64          1HB       CYS  64   4.206  -0.292  -0.965
  421    HA   PRO  65           HA       PRO  65   5.452  -5.149   0.756
  422   1HB   PRO  65          2HB       PRO  65   7.785  -6.206  -0.210
  423   2HB   PRO  65          1HB       PRO  65   6.191  -6.768  -0.714
  424   1HG   PRO  65          2HG       PRO  65   8.180  -5.139  -2.202
  425   2HG   PRO  65          1HG       PRO  65   6.868  -6.151  -2.826
  426   1HD   PRO  65          2HD       PRO  65   6.858  -3.320  -2.597
  427   2HD   PRO  65          1HD       PRO  65   5.472  -4.359  -2.994
  428    H    ARG  66           H        ARG  66   6.600  -4.697   2.646
  429    HA   ARG  66           HA       ARG  66   8.453  -2.449   2.625
  430   1HB   ARG  66          2HB       ARG  66   6.784  -3.753   4.555
  431   2HB   ARG  66          1HB       ARG  66   8.437  -3.718   5.170
  432   1HG   ARG  66          2HG       ARG  66   8.567  -1.309   4.798
  433   2HG   ARG  66          1HG       ARG  66   6.964  -1.310   4.064
  434   1HD   ARG  66          2HD       ARG  66   6.547  -0.627   6.282
  435   2HD   ARG  66          1HD       ARG  66   6.174  -2.350   6.308
  436    HE   ARG  66           HE       ARG  66   8.856  -1.356   7.177
  437   1HH1  ARG  66          1HH2      ARG  66   6.966  -1.226   9.402
  438   2HH1  ARG  66          2HH2      ARG  66   7.037  -2.816  10.087
  439   1HH2  ARG  66          1HH1      ARG  66   8.515  -4.242   7.294
  440   2HH2  ARG  66          2HH1      ARG  66   7.915  -4.522   8.893
  441    H    TYR  67           H        TYR  67  10.673  -2.552   3.157
  442    HA   TYR  67           HA       TYR  67  11.854  -5.252   3.415
  443   1HB   TYR  67          2HB       TYR  67  12.017  -3.620   1.115
  444   2HB   TYR  67          1HB       TYR  67  13.597  -3.564   1.892
  445    HD1  TYR  67           HD1      TYR  67  15.104  -5.150   1.115
  446    HD2  TYR  67           HD2      TYR  67  10.936  -6.161   1.341
  447    HE1  TYR  67           HE1      TYR  67  15.609  -7.424   0.262
  448    HE2  TYR  67           HE2      TYR  67  11.441  -8.434   0.490
  449    HH   TYR  67           HH       TYR  67  14.565  -9.270  -0.776
  450    H    HIS  68           HN       HIS  68  11.483  -2.332   4.811
  451    HA   HIS  68           HA       HIS  68  13.930  -2.667   6.416
  452   1HB   HIS  68          2HB       HIS  68  14.100   0.021   6.091
  453   2HB   HIS  68          1HB       HIS  68  15.031  -1.124   5.126
  454    HD1  HIS  68           HD1      HIS  68  14.489  -1.287   2.650
  455    HD2  HIS  68           HD2      HIS  68  11.723   1.032   4.733
  456    HE1  HIS  68           HE1      HIS  68  13.017  -0.191   0.905
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1 -14.282 -15.344  -4.567
    2   2H    GLY   1          2HT       GLY   1 -12.702 -14.721  -4.563
    3   3H    GLY   1          3HT       GLY   1 -13.280 -15.567  -5.917
    4   1HA   GLY   1          1HA       GLY   1 -13.977 -13.684  -6.811
    5   2HA   GLY   1          2HA       GLY   1 -15.067 -13.487  -5.440
    6    H    LYS   2           H        LYS   2 -14.743 -11.636  -4.319
    7    HA   LYS   2           HA       LYS   2 -12.137 -10.757  -3.462
    8   1HB   LYS   2          2HB       LYS   2 -12.745 -10.029  -6.081
    9   2HB   LYS   2          1HB       LYS   2 -13.164  -8.596  -5.141
   10   1HG   LYS   2          2HG       LYS   2 -10.853  -8.346  -5.670
   11   2HG   LYS   2          1HG       LYS   2 -10.891  -8.876  -3.988
   12   1HD   LYS   2          2HD       LYS   2 -10.224 -11.065  -4.531
   13   2HD   LYS   2          1HD       LYS   2 -10.694 -10.887  -6.221
   14   1HE   LYS   2          2HE       LYS   2  -8.869  -8.977  -6.207
   15   2HE   LYS   2          1HE       LYS   2  -8.246  -9.872  -4.821
   16   1HZ   LYS   2          1HZ       LYS   2  -7.220 -10.688  -6.806
   17   2HZ   LYS   2          2HZ       LYS   2  -8.728 -10.935  -7.551
   18   3HZ   LYS   2          3HZ       LYS   2  -8.268 -11.884  -6.219
   19    H    GLU   3           H        GLU   3 -12.945  -7.902  -3.430
   20    HA   GLU   3           HA       GLU   3 -15.518  -7.739  -2.093
   21   1HB   GLU   3          2HB       GLU   3 -13.624  -8.756  -0.471
   22   2HB   GLU   3          1HB       GLU   3 -13.338  -7.035  -0.237
   23   1HG   GLU   3          2HG       GLU   3 -15.067  -7.020   1.203
   24   2HG   GLU   3          1HG       GLU   3 -16.126  -7.309  -0.177
   25    H    CYS   4           H        CYS   4 -14.742  -5.511  -0.428
   26    HA   CYS   4           HA       CYS   4 -15.016  -3.360  -2.262
   27   1HB   CYS   4          2HB       CYS   4 -14.142  -3.585   0.592
   28   2HB   CYS   4          1HB       CYS   4 -13.959  -2.043  -0.220
   29    H    ASP   5           H        ASP   5 -13.419  -3.693  -3.919
   30    HA   ASP   5           HA       ASP   5 -10.641  -4.009  -3.545
   31   1HB   ASP   5          2HB       ASP   5 -11.756  -4.143  -5.758
   32   2HB   ASP   5          1HB       ASP   5 -12.006  -2.395  -5.718
   33    H    CYS   6           H        CYS   6 -12.633  -1.081  -3.495
   34    HA   CYS   6           HA       CYS   6 -10.220   0.368  -2.480
   35   1HB   CYS   6          2HB       CYS   6 -10.829   2.307  -3.650
   36   2HB   CYS   6          1HB       CYS   6 -11.233   1.034  -4.793
   37    H    SER   7           H        SER   7 -11.013   2.399  -1.153
   38    HA   SER   7           HA       SER   7 -13.199   1.435   0.646
   39   1HB   SER   7          2HB       SER   7 -12.070   2.527   2.469
   40   2HB   SER   7          1HB       SER   7 -10.859   1.582   1.607
   41    HG   SER   7           HG       SER   7 -11.034   4.263   1.982
   42    H    SER   8           H        SER   8 -12.121   3.985  -1.413
   43    HA   SER   8           HA       SER   8 -14.075   5.894  -0.276
   44   1HB   SER   8          2HB       SER   8 -11.633   6.113  -1.769
   45   2HB   SER   8          1HB       SER   8 -12.923   6.946  -2.628
   46    HG   SER   8           HG       SER   8 -12.126   7.286   0.078
   47    HA   PRO   9           HA       PRO   9 -17.010   4.568  -3.330
   48   1HB   PRO   9          2HB       PRO   9 -18.919   6.457  -2.735
   49   2HB   PRO   9          1HB       PRO   9 -18.643   5.002  -1.763
   50   1HG   PRO   9          2HG       PRO   9 -17.889   7.825  -1.169
   51   2HG   PRO   9          1HG       PRO   9 -18.221   6.492  -0.049
   52   1HD   PRO   9          2HD       PRO   9 -15.658   7.449  -0.771
   53   2HD   PRO   9          1HD       PRO   9 -16.005   5.921   0.068
   54    H    GLU  10           H        GLU  10 -15.380   7.579  -3.238
   55    HA   GLU  10           HA       GLU  10 -16.673   8.577  -5.711
   56   1HB   GLU  10          2HB       GLU  10 -14.753   9.715  -3.703
   57   2HB   GLU  10          1HB       GLU  10 -14.837  10.426  -5.315
   58   1HG   GLU  10          2HG       GLU  10 -16.480  11.672  -4.279
   59   2HG   GLU  10          1HG       GLU  10 -17.460  10.308  -4.823
   60    H    ASN  11           H        ASN  11 -13.866   6.833  -4.694
   61    HA   ASN  11           HA       ASN  11 -12.058   7.478  -6.778
   62   1HB   ASN  11          2HB       ASN  11 -11.835   5.930  -4.634
   63   2HB   ASN  11          1HB       ASN  11 -12.244   4.661  -5.789
   64   1HD2  ASN  11          1HD2      ASN  11  -9.925   3.929  -5.362
   65   2HD2  ASN  11          2HD2      ASN  11  -8.677   4.671  -6.242
   66    HA   PRO  12           HA       PRO  12 -14.402   5.659 -10.123
   67   1HB   PRO  12          2HB       PRO  12 -12.653   6.429 -12.098
   68   2HB   PRO  12          1HB       PRO  12 -13.851   7.516 -11.375
   69   1HG   PRO  12          2HG       PRO  12 -10.901   7.428 -10.950
   70   2HG   PRO  12          1HG       PRO  12 -12.019   8.793 -10.784
   71   1HD   PRO  12          2HD       PRO  12 -10.943   7.258  -8.660
   72   2HD   PRO  12          1HD       PRO  12 -12.297   8.403  -8.542
   73    H    CYS  13           H        CYS  13 -11.338   4.821  -8.935
   74    HA   CYS  13           HA       CYS  13 -10.714   2.757 -10.935
   75   1HB   CYS  13          2HB       CYS  13  -9.510   3.165  -8.192
   76   2HB   CYS  13          1HB       CYS  13  -8.816   2.263  -9.530
   77    H    CYS  14           H        CYS  14 -13.156   2.874  -8.832
   78    HA   CYS  14           HA       CYS  14 -13.148  -0.056  -8.561
   79   1HB   CYS  14          2HB       CYS  14 -13.564  -0.008  -6.141
   80   2HB   CYS  14          1HB       CYS  14 -11.996   0.704  -6.520
   81    H    ASP  15           H        ASP  15 -15.099  -0.542  -9.413
   82    HA   ASP  15           HA       ASP  15 -17.318   1.079  -9.771
   83   1HB   ASP  15          2HB       ASP  15 -16.846  -1.466 -10.351
   84   2HB   ASP  15          1HB       ASP  15 -17.799  -1.717  -8.895
   85    H    ALA  16           H        ALA  16 -18.419   2.267  -8.280
   86    HA   ALA  16           HA       ALA  16 -18.271   1.686  -5.454
   87   1HB   ALA  16          1HB       ALA  16 -19.736   3.621  -5.193
   88   2HB   ALA  16          2HB       ALA  16 -20.107   3.599  -6.916
   89   3HB   ALA  16          3HB       ALA  16 -18.478   3.992  -6.371
   90    H    ALA  17           H        ALA  17 -20.259   0.533  -7.967
   91    HA   ALA  17           HA       ALA  17 -22.576   0.013  -6.212
   92   1HB   ALA  17          1HB       ALA  17 -22.681  -1.389  -8.728
   93   2HB   ALA  17          2HB       ALA  17 -22.184   0.281  -9.000
   94   3HB   ALA  17          3HB       ALA  17 -23.696  -0.063  -8.160
   95    H    THR  18           H        THR  18 -19.621  -1.459  -6.839
   96    HA   THR  18           HA       THR  18 -20.664  -4.037  -5.765
   97    HB   THR  18           HB       THR  18 -19.307  -5.306  -7.351
   98    HG1  THR  18           HG1      THR  18 -18.236  -4.143  -9.017
   99   1HG2  THR  18          1HG2      THR  18 -20.550  -3.517  -9.311
  100   2HG2  THR  18          2HG2      THR  18 -21.619  -3.917  -7.966
  101   3HG2  THR  18          3HG2      THR  18 -20.912  -5.204  -8.943
  102    H    CYS  19           H        CYS  19 -18.756  -1.536  -5.127
  103    HA   CYS  19           HA       CYS  19 -16.689  -1.230  -4.023
  104   1HB   CYS  19          2HB       CYS  19 -18.358  -2.933  -2.538
  105   2HB   CYS  19          1HB       CYS  19 -16.774  -3.657  -2.479
  106    H    LYS  20           H        LYS  20 -15.750  -1.929  -6.234
  107    HA   LYS  20           HA       LYS  20 -13.594  -3.785  -5.713
  108   1HB   LYS  20          2HB       LYS  20 -16.024  -4.705  -7.105
  109   2HB   LYS  20          1HB       LYS  20 -14.503  -5.086  -7.920
  110   1HG   LYS  20          2HG       LYS  20 -13.786  -5.817  -5.467
  111   2HG   LYS  20          1HG       LYS  20 -15.527  -6.010  -5.262
  112   1HD   LYS  20          2HD       LYS  20 -13.699  -7.422  -7.207
  113   2HD   LYS  20          1HD       LYS  20 -14.798  -8.129  -6.024
  114   1HE   LYS  20          2HE       LYS  20 -15.579  -6.633  -8.544
  115   2HE   LYS  20          1HE       LYS  20 -15.780  -8.359  -8.240
  116   1HZ   LYS  20          1HZ       LYS  20 -17.337  -7.902  -6.519
  117   2HZ   LYS  20          2HZ       LYS  20 -17.815  -7.008  -7.882
  118   3HZ   LYS  20          3HZ       LYS  20 -17.031  -6.236  -6.587
  119    H    LEU  21           H        LEU  21 -12.286  -4.053  -7.854
  120    HA   LEU  21           HA       LEU  21 -11.739  -1.472  -8.899
  121   1HB   LEU  21          2HB       LEU  21 -10.963  -4.240  -9.598
  122   2HB   LEU  21          1HB       LEU  21 -10.858  -3.065 -10.909
  123    HG   LEU  21           HG       LEU  21  -9.612  -2.683  -8.177
  124   1HD1  LEU  21          1HD1      LEU  21  -7.586  -3.425  -9.014
  125   2HD1  LEU  21          2HD1      LEU  21  -8.029  -3.062 -10.681
  126   3HD1  LEU  21          3HD1      LEU  21  -8.691  -4.489  -9.883
  127   1HD2  LEU  21          1HD2      LEU  21  -8.454  -1.075 -10.189
  128   2HD2  LEU  21          2HD2      LEU  21  -9.391  -0.561  -8.791
  129   3HD2  LEU  21          3HD2      LEU  21 -10.204  -0.898 -10.317
  130    H    ARG  22           H        ARG  22 -12.146  -0.592 -10.957
  131    HA   ARG  22           HA       ARG  22 -14.722  -1.458 -12.129
  132   1HB   ARG  22          2HB       ARG  22 -14.471   0.944 -11.753
  133   2HB   ARG  22          1HB       ARG  22 -12.939   0.954 -12.627
  134   1HG   ARG  22          2HG       ARG  22 -13.980   0.609 -14.707
  135   2HG   ARG  22          1HG       ARG  22 -15.459  -0.006 -13.968
  136   1HD   ARG  22          2HD       ARG  22 -14.553   2.821 -13.465
  137   2HD   ARG  22          1HD       ARG  22 -15.480   2.416 -14.910
  138    HE   ARG  22           HE       ARG  22 -16.577   1.617 -12.264
  139   1HH1  ARG  22          1HH1      ARG  22 -16.931   4.518 -12.553
  140   2HH1  ARG  22          2HH1      ARG  22 -18.415   4.651 -13.437
  141   1HH2  ARG  22          1HH2      ARG  22 -18.374   1.356 -14.516
  142   2HH2  ARG  22          2HH2      ARG  22 -19.233   2.860 -14.548
  143    HA   PRO  23           HA       PRO  23 -12.402  -3.802 -15.118
  144   1HB   PRO  23          2HB       PRO  23 -14.480  -4.120 -16.917
  145   2HB   PRO  23          1HB       PRO  23 -14.266  -5.098 -15.452
  146   1HG   PRO  23          2HG       PRO  23 -16.126  -2.781 -15.918
  147   2HG   PRO  23          1HG       PRO  23 -16.385  -4.250 -14.957
  148   1HD   PRO  23          2HD       PRO  23 -15.738  -1.827 -13.806
  149   2HD   PRO  23          1HD       PRO  23 -15.300  -3.385 -13.092
  150    H    GLY  24           H        GLY  24 -11.250  -1.693 -15.463
  151   1HA   GLY  24          2HA       GLY  24 -10.933  -1.053 -18.176
  152   2HA   GLY  24          1HA       GLY  24 -11.957   0.202 -17.466
  153    H    ALA  25           H        ALA  25  -9.482  -1.600 -15.714
  154    HA   ALA  25           HA       ALA  25  -7.432   0.422 -15.871
  155   1HB   ALA  25          1HB       ALA  25  -9.478   0.521 -13.706
  156   2HB   ALA  25          2HB       ALA  25  -8.545   1.833 -14.422
  157   3HB   ALA  25          3HB       ALA  25  -7.802   0.774 -13.225
  158    H    GLN  26           H        GLN  26  -6.188  -0.079 -13.376
  159    HA   GLN  26           HA       GLN  26  -6.112  -3.028 -13.118
  160   1HB   GLN  26          2HB       GLN  26  -4.260  -1.630 -14.718
  161   2HB   GLN  26          1HB       GLN  26  -3.402  -2.037 -13.233
  162   1HG   GLN  26          2HG       GLN  26  -3.375  -4.242 -13.728
  163   2HG   GLN  26          1HG       GLN  26  -5.068  -4.233 -14.219
  164   1HE2  GLN  26          1HE2      GLN  26  -5.557  -3.844 -16.479
  165   2HE2  GLN  26          2HE2      GLN  26  -4.349  -3.835 -17.670
  166    H    CYS  27           H        CYS  27  -6.787  -0.652 -11.352
  167    HA   CYS  27           HA       CYS  27  -5.718  -1.684  -8.945
  168   1HB   CYS  27          2HB       CYS  27  -4.130   0.142  -8.335
  169   2HB   CYS  27          1HB       CYS  27  -3.561  -0.844  -9.680
  170    H    GLY  28           H        GLY  28  -7.046  -1.004  -7.356
  171   1HA   GLY  28          2HA       GLY  28  -8.764   1.351  -7.914
  172   2HA   GLY  28          1HA       GLY  28  -9.126   0.079  -6.754
  173    H    GLU  29           H        GLU  29  -6.057   0.445  -6.050
  174    HA   GLU  29           HA       GLU  29  -5.793   3.024  -4.879
  175   1HB   GLU  29          2HB       GLU  29  -6.342   2.560  -2.547
  176   2HB   GLU  29          1HB       GLU  29  -7.757   2.271  -3.560
  177   1HG   GLU  29          2HG       GLU  29  -7.863   0.205  -2.664
  178   2HG   GLU  29          1HG       GLU  29  -6.384  -0.170  -3.548
  179    H    GLY  30           H        GLY  30  -3.733   3.263  -4.180
  180   1HA   GLY  30          2HA       GLY  30  -2.123   1.347  -2.849
  181   2HA   GLY  30          1HA       GLY  30  -1.781   1.233  -4.575
  182    H    LEU  31           H        LEU  31   0.453   2.120  -3.845
  183    HA   LEU  31           HA       LEU  31   0.237   5.052  -3.403
  184   1HB   LEU  31          2HB       LEU  31   1.706   3.082  -2.090
  185   2HB   LEU  31          1HB       LEU  31   2.872   3.989  -3.038
  186    HG   LEU  31           HG       LEU  31   0.898   5.056  -1.045
  187   1HD1  LEU  31          1HD1      LEU  31   3.355   5.957  -0.298
  188   2HD1  LEU  31          2HD1      LEU  31   3.786   4.415  -1.040
  189   3HD1  LEU  31          3HD1      LEU  31   2.642   4.459   0.301
  190   1HD2  LEU  31          1HD2      LEU  31   1.236   6.531  -3.091
  191   2HD2  LEU  31          2HD2      LEU  31   2.938   6.629  -2.645
  192   3HD2  LEU  31          3HD2      LEU  31   1.705   7.277  -1.565
  193    H    CYS  32           H        CYS  32   1.289   2.535  -5.478
  194    HA   CYS  32           HA       CYS  32   2.472   4.505  -7.372
  195   1HB   CYS  32          2HB       CYS  32   3.177   1.648  -6.759
  196   2HB   CYS  32          1HB       CYS  32   3.524   2.317  -8.355
  197    H    CYS  33           H        CYS  33  -0.199   4.424  -7.485
  198    HA   CYS  33           HA       CYS  33  -0.727   2.774  -9.915
  199   1HB   CYS  33          2HB       CYS  33  -2.003   1.511  -8.462
  200   2HB   CYS  33          1HB       CYS  33  -2.235   2.843  -7.338
  201    H    GLU  34           H        GLU  34  -0.945   4.292 -11.491
  202    HA   GLU  34           HA       GLU  34  -1.659   7.013 -11.090
  203   1HB   GLU  34          2HB       GLU  34  -0.765   5.562 -13.221
  204   2HB   GLU  34          1HB       GLU  34  -2.447   5.832 -13.666
  205   1HG   GLU  34          2HG       GLU  34  -1.961   8.305 -12.937
  206   2HG   GLU  34          1HG       GLU  34  -0.277   7.848 -13.197
  207    H    GLN  35           H        GLN  35  -3.778   7.668 -12.692
  208    HA   GLN  35           HA       GLN  35  -6.028   7.159 -11.042
  209   1HB   GLN  35          2HB       GLN  35  -7.359   8.062 -12.970
  210   2HB   GLN  35          1HB       GLN  35  -5.989   9.077 -12.525
  211   1HG   GLN  35          2HG       GLN  35  -4.724   7.584 -14.313
  212   2HG   GLN  35          1HG       GLN  35  -6.357   7.349 -14.938
  213   1HE2  GLN  35          1HE2      GLN  35  -4.619   8.759 -16.577
  214   2HE2  GLN  35          2HE2      GLN  35  -5.014  10.410 -16.578
  215    H    CYS  36           H        CYS  36  -6.185   4.887 -10.732
  216    HA   CYS  36           HA       CYS  36  -6.956   2.729 -11.215
  217   1HB   CYS  36          2HB       CYS  36  -8.246   3.784 -13.718
  218   2HB   CYS  36          1HB       CYS  36  -8.845   2.573 -12.582
  219    H    LYS  37           H        LYS  37  -4.361   3.259 -12.075
  220    HA   LYS  37           HA       LYS  37  -4.137   1.338 -14.276
  221   1HB   LYS  37          2HB       LYS  37  -4.130   4.144 -14.847
  222   2HB   LYS  37          1HB       LYS  37  -2.501   3.520 -15.113
  223   1HG   LYS  37          2HG       LYS  37  -4.437   1.645 -16.140
  224   2HG   LYS  37          1HG       LYS  37  -4.738   3.244 -16.822
  225   1HD   LYS  37          2HD       LYS  37  -2.433   3.417 -17.573
  226   2HD   LYS  37          1HD       LYS  37  -2.019   1.904 -16.767
  227   1HE   LYS  37          2HE       LYS  37  -4.243   1.915 -18.779
  228   2HE   LYS  37          1HE       LYS  37  -2.573   1.913 -19.348
  229   1HZ   LYS  37          1HZ       LYS  37  -2.169  -0.037 -17.938
  230   2HZ   LYS  37          2HZ       LYS  37  -3.358  -0.332 -19.115
  231   3HZ   LYS  37          3HZ       LYS  37  -3.806  -0.056 -17.499
  232    H    PHE  38           H        PHE  38  -2.585   0.023 -13.416
  233    HA   PHE  38           HA       PHE  38  -0.790   0.518 -11.370
  234   1HB   PHE  38          2HB       PHE  38  -0.509  -1.193 -13.841
  235   2HB   PHE  38          1HB       PHE  38   0.780  -1.115 -12.646
  236    HD1  PHE  38           HD1      PHE  38  -0.840  -0.855 -10.131
  237    HD2  PHE  38           HD2      PHE  38  -1.349  -3.386 -13.565
  238    HE1  PHE  38           HE1      PHE  38  -2.021  -2.526  -8.729
  239    HE2  PHE  38           HE2      PHE  38  -2.533  -5.052 -12.162
  240    HZ   PHE  38           HZ       PHE  38  -2.868  -4.622  -9.743
  241    H    SER  39           H        SER  39   0.776   2.071 -11.138
  242    HA   SER  39           HA       SER  39   1.650   3.757 -13.262
  243   1HB   SER  39          2HB       SER  39   3.381   3.208 -10.889
  244   2HB   SER  39          1HB       SER  39   3.124   4.726 -11.735
  245    HG   SER  39           HG       SER  39   0.841   4.401 -10.967
  246    H    ARG  40           H        ARG  40   4.475   3.701 -13.108
  247    HA   ARG  40           HA       ARG  40   4.966   1.254 -14.669
  248   1HB   ARG  40          2HB       ARG  40   5.916   3.964 -14.788
  249   2HB   ARG  40          1HB       ARG  40   7.281   2.858 -14.653
  250   1HG   ARG  40          2HG       ARG  40   5.243   1.875 -16.500
  251   2HG   ARG  40          1HG       ARG  40   5.885   3.444 -16.990
  252   1HD   ARG  40          2HD       ARG  40   7.403   1.955 -17.977
  253   2HD   ARG  40          1HD       ARG  40   8.212   2.373 -16.467
  254    HE   ARG  40           HE       ARG  40   7.859   0.156 -15.716
  255   1HH1  ARG  40          1HH1      ARG  40   8.044  -0.596 -18.626
  256   2HH1  ARG  40          2HH1      ARG  40   6.619  -1.560 -18.834
  257   1HH2  ARG  40          1HH2      ARG  40   5.116  -0.446 -15.915
  258   2HH2  ARG  40          2HH2      ARG  40   4.961  -1.475 -17.300
  259    H    ALA  41           H        ALA  41   6.365  -0.336 -13.955
  260    HA   ALA  41           HA       ALA  41   6.948  -0.582 -11.203
  261   1HB   ALA  41          1HB       ALA  41   7.852  -2.594 -11.767
  262   2HB   ALA  41          2HB       ALA  41   8.867  -1.894 -13.026
  263   3HB   ALA  41          3HB       ALA  41   7.169  -2.242 -13.353
  264    H    GLY  42           H        GLY  42   9.641  -1.169 -10.915
  265   1HA   GLY  42          2HA       GLY  42  11.574   0.002 -10.246
  266   2HA   GLY  42          1HA       GLY  42  11.545   0.618 -11.902
  267    H    LYS  43           H        LYS  43   8.860   1.209  -9.780
  268    HA   LYS  43           HA       LYS  43   9.623   4.075  -9.693
  269   1HB   LYS  43          2HB       LYS  43   7.500   3.859 -10.755
  270   2HB   LYS  43          1HB       LYS  43   6.960   2.648  -9.595
  271   1HG   LYS  43          2HG       LYS  43   5.862   4.656  -8.943
  272   2HG   LYS  43          1HG       LYS  43   7.196   4.488  -7.813
  273   1HD   LYS  43          2HD       LYS  43   8.526   6.094  -8.995
  274   2HD   LYS  43          1HD       LYS  43   7.408   6.103 -10.359
  275   1HE   LYS  43          2HE       LYS  43   5.648   6.844  -8.556
  276   2HE   LYS  43          1HE       LYS  43   7.074   7.322  -7.634
  277   1HZ   LYS  43          1HZ       LYS  43   7.784   8.510  -9.738
  278   2HZ   LYS  43          2HZ       LYS  43   6.490   9.194  -8.876
  279   3HZ   LYS  43          3HZ       LYS  43   6.193   8.293 -10.285
  280    H    ILE  44           H        ILE  44   9.305   5.169  -7.567
  281    HA   ILE  44           HA       ILE  44  10.015   3.340  -5.413
  282    HB   ILE  44           HB       ILE  44  10.139   6.204  -5.884
  283   1HG1  ILE  44          2HG1      ILE  44  12.014   4.550  -5.536
  284   2HG1  ILE  44          1HG1      ILE  44  12.111   5.986  -4.515
  285   1HG2  ILE  44          1HG2      ILE  44  10.042   6.738  -3.382
  286   2HG2  ILE  44          2HG2      ILE  44   9.162   5.220  -3.196
  287   3HG2  ILE  44          3HG2      ILE  44   8.487   6.515  -4.184
  288   1HD1  ILE  44          1HD1      ILE  44  10.954   4.695  -2.701
  289   2HD1  ILE  44          2HD1      ILE  44  12.536   4.048  -3.129
  290   3HD1  ILE  44          3HD1      ILE  44  11.073   3.256  -3.714
  291    H    CYS  45           H        CYS  45   8.392   2.105  -4.636
  292    HA   CYS  45           HA       CYS  45   5.669   3.220  -4.320
  293   1HB   CYS  45          2HB       CYS  45   6.557   0.744  -5.044
  294   2HB   CYS  45          1HB       CYS  45   6.223   0.505  -3.344
  295    H    ARG  46           H        ARG  46   8.464   3.224  -2.532
  296    HA   ARG  46           HA       ARG  46   7.189   4.157  -0.167
  297   1HB   ARG  46          2HB       ARG  46   6.895   1.425  -0.360
  298   2HB   ARG  46          1HB       ARG  46   8.344   1.577   0.634
  299   1HG   ARG  46          2HG       ARG  46   7.050   3.273   2.033
  300   2HG   ARG  46          1HG       ARG  46   5.607   2.752   1.162
  301   1HD   ARG  46          2HD       ARG  46   6.560   0.338   1.857
  302   2HD   ARG  46          1HD       ARG  46   7.234   1.287   3.182
  303    HE   ARG  46           HE       ARG  46   4.441   1.904   2.791
  304   1HH1  ARG  46          1HH2      ARG  46   6.228   1.246   5.304
  305   2HH1  ARG  46          2HH2      ARG  46   5.325  -0.086   5.947
  306   1HH2  ARG  46          1HH1      ARG  46   3.442  -0.542   3.072
  307   2HH2  ARG  46          2HH1      ARG  46   3.750  -1.097   4.684
  308    H    ILE  47           H        ILE  47   8.843   3.881   1.802
  309    HA   ILE  47           HA       ILE  47  11.609   4.203   0.717
  310    HB   ILE  47           HB       ILE  47  10.511   6.408   1.175
  311   1HG1  ILE  47          2HG1      ILE  47  12.740   5.731   3.118
  312   2HG1  ILE  47          1HG1      ILE  47  12.983   6.056   1.400
  313   1HG2  ILE  47          1HG2      ILE  47   9.274   6.669   3.033
  314   2HG2  ILE  47          2HG2      ILE  47  10.692   6.354   4.033
  315   3HG2  ILE  47          3HG2      ILE  47   9.664   5.018   3.515
  316   1HD1  ILE  47          1HD1      ILE  47  11.779   8.269   1.779
  317   2HD1  ILE  47          2HD1      ILE  47  13.373   8.131   2.524
  318   3HD1  ILE  47          3HD1      ILE  47  11.920   7.946   3.507
  319    H    ALA  48           H        ALA  48  13.265   4.000   2.525
  320    HA   ALA  48           HA       ALA  48  12.283   2.204   4.663
  321   1HB   ALA  48          1HB       ALA  48  13.355   0.649   3.357
  322   2HB   ALA  48          2HB       ALA  48  14.705   1.189   4.354
  323   3HB   ALA  48          3HB       ALA  48  14.501   1.828   2.723
  324    H    ARG  49           H        ARG  49  13.836   2.046   6.533
  325    HA   ARG  49           HA       ARG  49  15.420   4.538   6.907
  326   1HB   ARG  49          2HB       ARG  49  13.484   3.475   8.911
  327   2HB   ARG  49          1HB       ARG  49  14.395   4.972   9.025
  328   1HG   ARG  49          2HG       ARG  49  12.565   5.954   8.111
  329   2HG   ARG  49          1HG       ARG  49  13.098   5.225   6.596
  330   1HD   ARG  49          2HD       ARG  49  10.696   4.724   7.199
  331   2HD   ARG  49          1HD       ARG  49  11.697   3.294   6.948
  332    HE   ARG  49           HE       ARG  49  11.517   2.807   9.266
  333   1HH1  ARG  49          1HH1      ARG  49   8.760   3.800   9.165
  334   2HH1  ARG  49          2HH1      ARG  49   8.729   5.015  10.398
  335   1HH2  ARG  49          1HH2      ARG  49  12.181   5.305  10.565
  336   2HH2  ARG  49          2HH2      ARG  49  10.668   5.870  11.192
  337    H    GLY  50           H        GLY  50  15.482   1.260   6.964
  338   1HA   GLY  50          2HA       GLY  50  17.677   1.264   8.944
  339   2HA   GLY  50          1HA       GLY  50  16.407   0.057   9.114
  340    H    ASP  51           H        ASP  51  15.985  -1.175   6.961
  341    HA   ASP  51           HA       ASP  51  18.391  -2.500   6.163
  342   1HB   ASP  51          2HB       ASP  51  15.581  -2.750   5.714
  343   2HB   ASP  51          1HB       ASP  51  16.435  -2.827   4.174
  344    H    TRP  52           H        TRP  52  16.170  -0.442   4.443
  345    HA   TRP  52           HA       TRP  52  16.479   1.161   2.828
  346   1HB   TRP  52          2HB       TRP  52  19.376   0.649   3.423
  347   2HB   TRP  52          1HB       TRP  52  18.828   1.813   2.204
  348    HD1  TRP  52           HD1      TRP  52  16.372   3.011   3.283
  349    HE1  TRP  52           HE1      TRP  52  16.286   4.408   5.423
  350    HE3  TRP  52           HE3      TRP  52  20.502   1.212   5.631
  351    HZ2  TRP  52           HZ2      TRP  52  17.709   4.681   7.843
  352    HZ3  TRP  52           HZ3      TRP  52  21.119   2.052   7.895
  353    HH2  TRP  52           HH2      TRP  52  19.723   3.784   9.006
  354    H    ASN  53           H        ASN  53  15.332  -0.352   1.755
  355    HA   ASN  53           HA       ASN  53  16.470  -1.036  -0.843
  356   1HB   ASN  53          2HB       ASN  53  15.798  -3.079   1.212
  357   2HB   ASN  53          1HB       ASN  53  15.071  -3.349  -0.372
  358   1HD2  ASN  53          1HD2      ASN  53  16.673  -5.286  -0.302
  359   2HD2  ASN  53          2HD2      ASN  53  18.249  -5.001  -0.865
  360    H    ASP  54           H        ASP  54  14.979   0.824  -1.065
  361    HA   ASP  54           HA       ASP  54  12.300   0.867  -0.270
  362   1HB   ASP  54          2HB       ASP  54  13.154   1.970  -2.917
  363   2HB   ASP  54          1HB       ASP  54  11.981   2.628  -1.786
  364    H    ASP  55           H        ASP  55  10.382   0.227  -1.197
  365    HA   ASP  55           HA       ASP  55  10.515  -2.166  -2.867
  366   1HB   ASP  55          2HB       ASP  55   7.900  -0.881  -2.404
  367   2HB   ASP  55          1HB       ASP  55   8.366  -2.565  -2.216
  368    H    ARG  56           H        ARG  56  11.361  -1.347  -4.874
  369    HA   ARG  56           HA       ARG  56  10.270   0.847  -6.297
  370   1HB   ARG  56          2HB       ARG  56  11.781  -1.592  -7.128
  371   2HB   ARG  56          1HB       ARG  56  11.200  -0.447  -8.332
  372   1HG   ARG  56          2HG       ARG  56  12.579   0.770  -6.017
  373   2HG   ARG  56          1HG       ARG  56  13.604  -0.228  -7.050
  374   1HD   ARG  56          2HD       ARG  56  12.806   1.039  -9.032
  375   2HD   ARG  56          1HD       ARG  56  11.850   2.068  -7.967
  376    HE   ARG  56           HE       ARG  56  14.359   2.326  -6.907
  377   1HH1  ARG  56          1HH2      ARG  56  15.307   1.519  -9.689
  378   2HH1  ARG  56          2HH2      ARG  56  15.510   3.069 -10.436
  379   1HH2  ARG  56          1HH1      ARG  56  13.655   4.762  -8.044
  380   2HH2  ARG  56          2HH1      ARG  56  14.575   4.904  -9.504
  381    H    CYS  57           H        CYS  57   7.979   0.716  -6.199
  382    HA   CYS  57           HA       CYS  57   6.141  -1.211  -6.519
  383   1HB   CYS  57          2HB       CYS  57   5.414   0.562  -8.652
  384   2HB   CYS  57          1HB       CYS  57   4.734   0.467  -7.039
  385    H    THR  58           H        THR  58   5.421  -2.708  -8.017
  386    HA   THR  58           HA       THR  58   7.296  -3.355 -10.174
  387    HB   THR  58           HB       THR  58   6.184  -5.420 -10.312
  388    HG1  THR  58           HG1      THR  58   4.078  -5.632 -10.043
  389   1HG2  THR  58          1HG2      THR  58   5.308  -4.946  -7.523
  390   2HG2  THR  58          2HG2      THR  58   6.988  -4.534  -7.874
  391   3HG2  THR  58          3HG2      THR  58   6.399  -6.171  -8.169
  392    H    GLY  59           H        GLY  59   6.055  -4.138 -12.315
  393   1HA   GLY  59          2HA       GLY  59   4.769  -1.715 -13.361
  394   2HA   GLY  59          1HA       GLY  59   5.222  -3.136 -14.301
  395    H    GLN  60           H        GLN  60   3.685  -4.454 -11.764
  396    HA   GLN  60           HA       GLN  60   0.970  -4.105 -12.963
  397   1HB   GLN  60          2HB       GLN  60   2.097  -6.728 -11.945
  398   2HB   GLN  60          1HB       GLN  60   0.562  -6.478 -12.781
  399   1HG   GLN  60          2HG       GLN  60   1.562  -6.593 -14.797
  400   2HG   GLN  60          1HG       GLN  60   2.764  -5.390 -14.326
  401   1HE2  GLN  60          1HE2      GLN  60   4.876  -6.152 -14.034
  402   2HE2  GLN  60          2HE2      GLN  60   5.299  -7.787 -13.875
  403    H    SER  61           H        SER  61   2.619  -3.320 -10.375
  404    HA   SER  61           HA       SER  61   0.595  -4.289  -8.404
  405   1HB   SER  61          2HB       SER  61   2.796  -4.818  -7.638
  406   2HB   SER  61          1HB       SER  61   3.409  -3.228  -8.083
  407    HG   SER  61           HG       SER  61   2.837  -2.598  -6.174
  408    H    ALA  62           H        ALA  62  -0.124  -2.635  -6.784
  409    HA   ALA  62           HA       ALA  62  -0.039   0.137  -7.910
  410   1HB   ALA  62          1HB       ALA  62  -2.398  -1.537  -7.120
  411   2HB   ALA  62          2HB       ALA  62  -2.202  -0.444  -8.489
  412   3HB   ALA  62          3HB       ALA  62  -2.468   0.209  -6.874
  413    H    ASP  63           H        ASP  63  -0.354  -1.918  -5.031
  414    HA   ASP  63           HA       ASP  63  -0.109   0.514  -3.336
  415   1HB   ASP  63          2HB       ASP  63  -0.362  -2.341  -2.440
  416   2HB   ASP  63          1HB       ASP  63  -0.543  -0.891  -1.456
  417    H    CYS  64           H        CYS  64   1.402  -0.470  -1.228
  418    HA   CYS  64           HA       CYS  64   3.932  -1.381  -2.490
  419   1HB   CYS  64          2HB       CYS  64   3.896   0.992  -0.635
  420   2HB   CYS  64          1HB       CYS  64   5.179   0.474  -1.741
  421    HA   PRO  65           HA       PRO  65   3.947  -3.709   1.260
  422   1HB   PRO  65          2HB       PRO  65   6.106  -5.216   0.516
  423   2HB   PRO  65          1HB       PRO  65   4.466  -5.540  -0.047
  424   1HG   PRO  65          2HG       PRO  65   6.780  -4.393  -1.513
  425   2HG   PRO  65          1HG       PRO  65   5.344  -5.211  -2.149
  426   1HD   PRO  65          2HD       PRO  65   5.816  -2.411  -2.114
  427   2HD   PRO  65          1HD       PRO  65   4.292  -3.224  -2.526
  428    H    ARG  66           H        ARG  66   5.145  -3.472   3.177
  429    HA   ARG  66           HA       ARG  66   7.165  -1.415   3.267
  430   1HB   ARG  66          2HB       ARG  66   7.191  -1.776   5.631
  431   2HB   ARG  66          1HB       ARG  66   5.519  -2.012   5.124
  432   1HG   ARG  66          2HG       ARG  66   6.647  -4.531   4.808
  433   2HG   ARG  66          1HG       ARG  66   7.392  -3.931   6.291
  434   1HD   ARG  66          2HD       ARG  66   4.688  -3.187   6.475
  435   2HD   ARG  66          1HD       ARG  66   4.672  -4.837   5.854
  436    HE   ARG  66           HE       ARG  66   6.347  -4.248   8.238
  437   1HH1  ARG  66          1HH2      ARG  66   5.668  -7.022   7.181
  438   2HH1  ARG  66          2HH2      ARG  66   4.443  -7.517   8.303
  439   1HH2  ARG  66          1HH1      ARG  66   3.873  -4.315   9.502
  440   2HH2  ARG  66          2HH1      ARG  66   3.427  -5.985   9.615
  441    H    TYR  67           H        TYR  67   9.307  -1.929   4.475
  442    HA   TYR  67           HA       TYR  67  10.395  -4.562   3.705
  443   1HB   TYR  67          2HB       TYR  67  10.902  -2.257   2.228
  444   2HB   TYR  67          1HB       TYR  67  12.315  -2.436   3.265
  445    HD1  TYR  67           HD1      TYR  67  11.547  -3.035   0.101
  446    HD2  TYR  67           HD2      TYR  67  12.546  -5.331   3.590
  447    HE1  TYR  67           HE1      TYR  67  12.385  -4.867  -1.345
  448    HE2  TYR  67           HE2      TYR  67  13.385  -7.162   2.144
  449    HH   TYR  67           HH       TYR  67  12.706  -7.388  -1.114
  450    H    HIS  68           HN       HIS  68  11.326  -1.454   5.209
  451    HA   HIS  68           HA       HIS  68  12.924  -2.952   7.204
  452   1HB   HIS  68          2HB       HIS  68  14.044  -1.022   6.318
  453   2HB   HIS  68          1HB       HIS  68  12.630  -0.001   6.583
  454    HD1  HIS  68           HD1      HIS  68  13.177   1.543   8.461
  455    HD2  HIS  68           HD2      HIS  68  14.552  -2.322   9.205
  456    HE1  HIS  68           HE1      HIS  68  14.156   1.568  10.797
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  -9.013 -14.102   1.738
    2   2H    GLY   1          2HT       GLY   1  -7.584 -13.798   0.871
    3   3H    GLY   1          3HT       GLY   1  -9.086 -13.761   0.077
    4   1HA   GLY   1          1HA       GLY   1  -8.465 -11.922   2.307
    5   2HA   GLY   1          2HA       GLY   1  -8.036 -11.537   0.641
    6    H    LYS   2           H        LYS   2  -9.560  -9.796   0.560
    7    HA   LYS   2           HA       LYS   2 -12.407 -10.709   0.444
    8   1HB   LYS   2          2HB       LYS   2 -11.186  -8.244   1.653
    9   2HB   LYS   2          1HB       LYS   2 -12.826  -8.173   1.007
   10   1HG   LYS   2          2HG       LYS   2 -13.659  -9.317   2.765
   11   2HG   LYS   2          1HG       LYS   2 -12.417 -10.562   2.623
   12   1HD   LYS   2          2HD       LYS   2 -10.890  -9.352   3.972
   13   2HD   LYS   2          1HD       LYS   2 -11.806  -7.853   3.807
   14   1HE   LYS   2          2HE       LYS   2 -13.531  -8.616   5.241
   15   2HE   LYS   2          1HE       LYS   2 -13.004 -10.295   5.117
   16   1HZ   LYS   2          1HZ       LYS   2 -11.917  -9.894   7.003
   17   2HZ   LYS   2          2HZ       LYS   2 -12.081  -8.210   6.860
   18   3HZ   LYS   2          3HZ       LYS   2 -10.812  -9.013   6.066
   19    H    GLU   3           H        GLU   3 -13.584  -9.999  -1.347
   20    HA   GLU   3           HA       GLU   3 -11.991  -8.934  -3.583
   21   1HB   GLU   3          2HB       GLU   3 -14.285 -10.592  -3.310
   22   2HB   GLU   3          1HB       GLU   3 -14.757  -9.169  -4.238
   23   1HG   GLU   3          2HG       GLU   3 -13.888 -10.360  -5.986
   24   2HG   GLU   3          1HG       GLU   3 -12.362  -9.705  -5.389
   25    H    CYS   4           H        CYS   4 -11.956  -6.894  -1.903
   26    HA   CYS   4           HA       CYS   4 -14.068  -5.076  -2.959
   27   1HB   CYS   4          2HB       CYS   4 -12.970  -5.254  -0.155
   28   2HB   CYS   4          1HB       CYS   4 -13.783  -3.808  -0.749
   29    H    ASP   5           H        ASP   5 -12.185  -4.871  -4.570
   30    HA   ASP   5           HA       ASP   5  -9.679  -3.857  -4.220
   31   1HB   ASP   5          2HB       ASP   5 -11.264  -4.044  -6.366
   32   2HB   ASP   5          1HB       ASP   5 -11.374  -2.301  -6.118
   33    H    CYS   6           H        CYS   6 -12.659  -1.919  -3.924
   34    HA   CYS   6           HA       CYS   6 -11.024   0.145  -2.502
   35   1HB   CYS   6          2HB       CYS   6 -13.436   0.579  -4.293
   36   2HB   CYS   6          1HB       CYS   6 -12.613   1.841  -3.378
   37    H    SER   7           H        SER   7 -12.385   1.445  -0.938
   38    HA   SER   7           HA       SER   7 -14.557  -0.260   0.215
   39   1HB   SER   7          2HB       SER   7 -13.823   0.920   2.414
   40   2HB   SER   7          1HB       SER   7 -12.826  -0.396   1.801
   41    HG   SER   7           HG       SER   7 -12.344   2.343   1.901
   42    H    SER   8           H        SER   8 -14.125   2.456  -1.494
   43    HA   SER   8           HA       SER   8 -16.067   4.067   0.087
   44   1HB   SER   8          2HB       SER   8 -13.768   4.732  -1.514
   45   2HB   SER   8          1HB       SER   8 -15.194   5.547  -2.145
   46    HG   SER   8           HG       SER   8 -15.430   5.819   0.393
   47    HA   PRO   9           HA       PRO   9 -19.037   2.811  -2.986
   48   1HB   PRO   9          2HB       PRO   9 -21.126   4.268  -1.955
   49   2HB   PRO   9          1HB       PRO   9 -20.579   2.727  -1.275
   50   1HG   PRO   9          2HG       PRO   9 -20.173   5.489  -0.230
   51   2HG   PRO   9          1HG       PRO   9 -20.221   3.953   0.651
   52   1HD   PRO   9          2HD       PRO   9 -17.887   5.399  -0.046
   53   2HD   PRO   9          1HD       PRO   9 -17.943   3.724   0.542
   54    H    GLU  10           H        GLU  10 -17.447   5.671  -2.866
   55    HA   GLU  10           HA       GLU  10 -19.163   6.871  -5.004
   56   1HB   GLU  10          2HB       GLU  10 -17.369   8.348  -3.057
   57   2HB   GLU  10          1HB       GLU  10 -18.418   9.077  -4.276
   58   1HG   GLU  10          2HG       GLU  10 -20.372   7.940  -3.143
   59   2HG   GLU  10          1HG       GLU  10 -19.269   7.487  -1.843
   60    H    ASN  11           H        ASN  11 -16.678   5.014  -4.942
   61    HA   ASN  11           HA       ASN  11 -14.737   6.707  -6.355
   62   1HB   ASN  11          2HB       ASN  11 -14.415   4.586  -4.654
   63   2HB   ASN  11          1HB       ASN  11 -14.238   3.807  -6.227
   64   1HD2  ASN  11          1HD2      ASN  11 -11.882   3.570  -5.482
   65   2HD2  ASN  11          2HD2      ASN  11 -10.832   4.876  -5.753
   66    HA   PRO  12           HA       PRO  12 -16.465   5.382 -10.232
   67   1HB   PRO  12          2HB       PRO  12 -14.618   6.657 -11.816
   68   2HB   PRO  12          1HB       PRO  12 -15.964   7.493 -11.021
   69   1HG   PRO  12          2HG       PRO  12 -13.067   7.513 -10.319
   70   2HG   PRO  12          1HG       PRO  12 -14.307   8.734  -9.994
   71   1HD   PRO  12          2HD       PRO  12 -13.292   6.851  -8.130
   72   2HD   PRO  12          1HD       PRO  12 -14.732   7.869  -7.915
   73    H    CYS  13           H        CYS  13 -13.181   4.828  -9.174
   74    HA   CYS  13           HA       CYS  13 -12.631   2.934 -11.383
   75   1HB   CYS  13          2HB       CYS  13 -11.029   4.556  -9.707
   76   2HB   CYS  13          1HB       CYS  13 -10.647   2.880  -9.319
   77    H    CYS  14           H        CYS  14 -14.672   2.540  -9.080
   78    HA   CYS  14           HA       CYS  14 -13.936  -0.270  -8.720
   79   1HB   CYS  14          2HB       CYS  14 -13.872   1.718  -6.480
   80   2HB   CYS  14          1HB       CYS  14 -14.440   0.082  -6.142
   81    H    ASP  15           H        ASP  15 -15.755  -1.406  -8.988
   82    HA   ASP  15           HA       ASP  15 -18.348  -0.145  -9.092
   83   1HB   ASP  15          2HB       ASP  15 -17.373  -2.328 -10.253
   84   2HB   ASP  15          1HB       ASP  15 -18.074  -3.089  -8.830
   85    H    ALA  16           H        ALA  16 -19.439   0.455  -7.284
   86    HA   ALA  16           HA       ALA  16 -18.836  -0.484  -4.659
   87   1HB   ALA  16          1HB       ALA  16 -21.391   0.799  -5.669
   88   2HB   ALA  16          2HB       ALA  16 -19.964   1.674  -5.114
   89   3HB   ALA  16          3HB       ALA  16 -20.889   0.687  -3.983
   90    H    ALA  17           H        ALA  17 -20.956  -1.702  -7.154
   91    HA   ALA  17           HA       ALA  17 -22.709  -3.277  -5.557
   92   1HB   ALA  17          1HB       ALA  17 -23.139  -2.962  -7.930
   93   2HB   ALA  17          2HB       ALA  17 -22.945  -4.688  -7.618
   94   3HB   ALA  17          3HB       ALA  17 -21.628  -3.770  -8.346
   95    H    THR  18           H        THR  18 -19.361  -3.686  -6.385
   96    HA   THR  18           HA       THR  18 -19.322  -6.182  -4.765
   97    HB   THR  18           HB       THR  18 -18.049  -7.389  -6.362
   98    HG1  THR  18           HG1      THR  18 -17.257  -6.332  -8.244
   99   1HG2  THR  18          1HG2      THR  18 -20.572  -6.600  -6.951
  100   2HG2  THR  18          2HG2      THR  18 -19.646  -7.711  -7.960
  101   3HG2  THR  18          3HG2      THR  18 -19.721  -5.999  -8.375
  102    H    CYS  19           H        CYS  19 -18.523  -3.281  -4.485
  103    HA   CYS  19           HA       CYS  19 -16.642  -1.982  -3.892
  104   1HB   CYS  19          2HB       CYS  19 -15.401  -3.086  -1.972
  105   2HB   CYS  19          1HB       CYS  19 -17.150  -2.996  -1.783
  106    H    LYS  20           H        LYS  20 -16.161  -3.762  -6.284
  107    HA   LYS  20           HA       LYS  20 -13.238  -4.218  -5.902
  108   1HB   LYS  20          2HB       LYS  20 -15.323  -5.528  -7.566
  109   2HB   LYS  20          1HB       LYS  20 -13.728  -5.348  -8.300
  110   1HG   LYS  20          2HG       LYS  20 -13.741  -6.303  -5.493
  111   2HG   LYS  20          1HG       LYS  20 -14.393  -7.429  -6.684
  112   1HD   LYS  20          2HD       LYS  20 -11.909  -6.095  -7.535
  113   2HD   LYS  20          1HD       LYS  20 -11.719  -7.131  -6.121
  114   1HE   LYS  20          2HE       LYS  20 -11.809  -8.963  -7.419
  115   2HE   LYS  20          1HE       LYS  20 -13.393  -8.476  -8.022
  116   1HZ   LYS  20          1HZ       LYS  20 -11.052  -8.555  -9.449
  117   2HZ   LYS  20          2HZ       LYS  20 -11.316  -6.902  -9.162
  118   3HZ   LYS  20          3HZ       LYS  20 -12.508  -7.833  -9.935
  119    H    LEU  21           H        LEU  21 -12.305  -4.045  -8.449
  120    HA   LEU  21           HA       LEU  21 -12.344  -1.168  -8.912
  121   1HB   LEU  21          2HB       LEU  21 -10.856  -3.494  -9.967
  122   2HB   LEU  21          1HB       LEU  21 -11.094  -2.165 -11.101
  123    HG   LEU  21           HG       LEU  21 -10.111  -1.609  -8.307
  124   1HD1  LEU  21          1HD1      LEU  21  -8.116  -2.558  -8.711
  125   2HD1  LEU  21          2HD1      LEU  21  -7.962  -1.624 -10.199
  126   3HD1  LEU  21          3HD1      LEU  21  -8.747  -3.203 -10.226
  127   1HD2  LEU  21          1HD2      LEU  21 -10.062   0.481  -9.126
  128   2HD2  LEU  21          2HD2      LEU  21 -10.673  -0.108 -10.672
  129   3HD2  LEU  21          3HD2      LEU  21  -8.935  -0.039 -10.378
  130    H    ARG  22           H        ARG  22 -12.536  -0.434 -11.236
  131    HA   ARG  22           HA       ARG  22 -15.057  -1.516 -12.368
  132   1HB   ARG  22          2HB       ARG  22 -14.093   1.113 -11.980
  133   2HB   ARG  22          1HB       ARG  22 -14.015   0.831 -13.719
  134   1HG   ARG  22          2HG       ARG  22 -16.419  -0.130 -13.439
  135   2HG   ARG  22          1HG       ARG  22 -16.416   0.736 -11.902
  136   1HD   ARG  22          2HD       ARG  22 -15.554   2.743 -13.374
  137   2HD   ARG  22          1HD       ARG  22 -16.285   1.830 -14.695
  138    HE   ARG  22           HE       ARG  22 -18.220   1.941 -12.656
  139   1HH1  ARG  22          1HH1      ARG  22 -16.225   4.462 -13.689
  140   2HH1  ARG  22          2HH1      ARG  22 -17.518   5.520 -14.146
  141   1HH2  ARG  22          1HH2      ARG  22 -19.991   3.139 -13.660
  142   2HH2  ARG  22          2HH2      ARG  22 -19.651   4.771 -14.129
  143    HA   PRO  23           HA       PRO  23 -12.593  -3.573 -15.408
  144   1HB   PRO  23          2HB       PRO  23 -14.600  -3.879 -17.292
  145   2HB   PRO  23          1HB       PRO  23 -14.392  -4.922 -15.873
  146   1HG   PRO  23          2HG       PRO  23 -16.323  -2.647 -16.274
  147   2HG   PRO  23          1HG       PRO  23 -16.560  -4.179 -15.408
  148   1HD   PRO  23          2HD       PRO  23 -16.037  -1.815 -14.091
  149   2HD   PRO  23          1HD       PRO  23 -15.542  -3.396 -13.464
  150    H    GLY  24           H        GLY  24 -11.316  -1.677 -15.794
  151   1HA   GLY  24          2HA       GLY  24 -11.275  -0.756 -18.478
  152   2HA   GLY  24          1HA       GLY  24 -12.007   0.504 -17.477
  153    H    ALA  25           H        ALA  25 -10.672   0.500 -15.192
  154    HA   ALA  25           HA       ALA  25  -7.980   1.360 -15.927
  155   1HB   ALA  25          1HB       ALA  25  -9.413   2.684 -14.384
  156   2HB   ALA  25          2HB       ALA  25  -7.890   2.205 -13.633
  157   3HB   ALA  25          3HB       ALA  25  -9.377   1.342 -13.242
  158    H    GLN  26           H        GLN  26  -6.633   0.776 -13.521
  159    HA   GLN  26           HA       GLN  26  -6.716  -2.178 -13.267
  160   1HB   GLN  26          2HB       GLN  26  -4.736  -0.742 -14.760
  161   2HB   GLN  26          1HB       GLN  26  -3.971  -1.448 -13.336
  162   1HG   GLN  26          2HG       GLN  26  -4.335  -3.594 -14.043
  163   2HG   GLN  26          1HG       GLN  26  -5.881  -3.195 -14.786
  164   1HE2  GLN  26          1HE2      GLN  26  -4.989  -4.515 -16.673
  165   2HE2  GLN  26          2HE2      GLN  26  -3.969  -3.735 -17.784
  166    H    CYS  27           H        CYS  27  -7.153   0.422 -11.628
  167    HA   CYS  27           HA       CYS  27  -6.355  -0.611  -9.110
  168   1HB   CYS  27          2HB       CYS  27  -4.491   0.816  -8.509
  169   2HB   CYS  27          1HB       CYS  27  -4.073  -0.035  -9.997
  170    H    GLY  28           H        GLY  28  -7.549   0.441  -7.568
  171   1HA   GLY  28          2HA       GLY  28  -8.852   2.993  -8.407
  172   2HA   GLY  28          1HA       GLY  28  -9.559   1.837  -7.281
  173    H    GLU  29           H        GLU  29  -6.513   1.737  -6.292
  174    HA   GLU  29           HA       GLU  29  -5.988   4.261  -5.085
  175   1HB   GLU  29          2HB       GLU  29  -6.791   3.878  -2.805
  176   2HB   GLU  29          1HB       GLU  29  -8.143   3.814  -3.934
  177   1HG   GLU  29          2HG       GLU  29  -8.638   1.771  -3.133
  178   2HG   GLU  29          1HG       GLU  29  -7.124   1.189  -3.826
  179    H    GLY  30           H        GLY  30  -3.851   4.085  -4.711
  180   1HA   GLY  30          2HA       GLY  30  -2.660   2.184  -2.975
  181   2HA   GLY  30          1HA       GLY  30  -2.420   1.627  -4.630
  182    H    LEU  31           H        LEU  31  -0.206   2.380  -3.068
  183    HA   LEU  31           HA       LEU  31   0.557   5.107  -3.380
  184   1HB   LEU  31          2HB       LEU  31   1.817   3.715  -1.870
  185   2HB   LEU  31          1HB       LEU  31   2.232   2.646  -3.188
  186    HG   LEU  31           HG       LEU  31   3.677   4.219  -4.187
  187   1HD1  LEU  31          1HD1      LEU  31   3.658   6.593  -2.857
  188   2HD1  LEU  31          2HD1      LEU  31   1.958   6.146  -2.724
  189   3HD1  LEU  31          3HD1      LEU  31   2.711   6.293  -4.313
  190   1HD2  LEU  31          1HD2      LEU  31   4.308   3.289  -1.819
  191   2HD2  LEU  31          2HD2      LEU  31   4.070   4.957  -1.297
  192   3HD2  LEU  31          3HD2      LEU  31   5.281   4.581  -2.521
  193    H    CYS  32           H        CYS  32   1.075   2.270  -5.422
  194    HA   CYS  32           HA       CYS  32   2.214   4.048  -7.513
  195   1HB   CYS  32          2HB       CYS  32   2.222   1.037  -7.200
  196   2HB   CYS  32          1HB       CYS  32   2.929   1.899  -8.568
  197    H    CYS  33           H        CYS  33  -0.530   4.325  -7.183
  198    HA   CYS  33           HA       CYS  33  -1.615   2.842  -9.542
  199   1HB   CYS  33          2HB       CYS  33  -2.977   2.284  -7.662
  200   2HB   CYS  33          1HB       CYS  33  -2.977   3.943  -7.072
  201    H    GLU  34           H        GLU  34  -0.840   4.357 -11.073
  202    HA   GLU  34           HA       GLU  34  -1.061   7.187 -10.838
  203   1HB   GLU  34          2HB       GLU  34  -1.416   6.069 -13.548
  204   2HB   GLU  34          1HB       GLU  34  -0.287   7.293 -12.984
  205   1HG   GLU  34          2HG       GLU  34   0.752   5.193 -11.696
  206   2HG   GLU  34          1HG       GLU  34   0.014   4.327 -13.044
  207    H    GLN  35           H        GLN  35  -2.578   7.996 -13.103
  208    HA   GLN  35           HA       GLN  35  -5.150   8.269 -11.971
  209   1HB   GLN  35          2HB       GLN  35  -4.266   9.724 -13.781
  210   2HB   GLN  35          1HB       GLN  35  -4.407   8.377 -14.912
  211   1HG   GLN  35          2HG       GLN  35  -6.866   8.263 -14.323
  212   2HG   GLN  35          1HG       GLN  35  -6.653   9.773 -13.437
  213   1HE2  GLN  35          1HE2      GLN  35  -6.395  11.729 -14.661
  214   2HE2  GLN  35          2HE2      GLN  35  -6.538  11.777 -16.352
  215    H    CYS  36           H        CYS  36  -5.876   6.203 -11.313
  216    HA   CYS  36           HA       CYS  36  -6.795   4.055 -11.570
  217   1HB   CYS  36          2HB       CYS  36  -7.957   5.757 -13.751
  218   2HB   CYS  36          1HB       CYS  36  -8.341   4.043 -13.702
  219    H    LYS  37           H        LYS  37  -4.198   3.916 -12.335
  220    HA   LYS  37           HA       LYS  37  -4.295   1.873 -14.433
  221   1HB   LYS  37          2HB       LYS  37  -4.114   4.105 -15.651
  222   2HB   LYS  37          1HB       LYS  37  -2.522   4.275 -14.912
  223   1HG   LYS  37          2HG       LYS  37  -1.627   2.481 -16.104
  224   2HG   LYS  37          1HG       LYS  37  -3.205   1.736 -16.361
  225   1HD   LYS  37          2HD       LYS  37  -3.087   4.391 -17.543
  226   2HD   LYS  37          1HD       LYS  37  -1.818   3.346 -18.182
  227   1HE   LYS  37          2HE       LYS  37  -3.344   1.786 -19.025
  228   2HE   LYS  37          1HE       LYS  37  -4.627   2.303 -17.931
  229   1HZ   LYS  37          1HZ       LYS  37  -5.251   3.233 -19.931
  230   2HZ   LYS  37          2HZ       LYS  37  -3.657   3.598 -20.394
  231   3HZ   LYS  37          3HZ       LYS  37  -4.428   4.519 -19.193
  232    H    PHE  38           H        PHE  38  -2.559   0.448 -14.251
  233    HA   PHE  38           HA       PHE  38  -1.023   0.506 -11.819
  234   1HB   PHE  38          2HB       PHE  38  -0.981  -1.170 -14.312
  235   2HB   PHE  38          1HB       PHE  38   0.350  -1.297 -13.167
  236    HD1  PHE  38           HD1      PHE  38  -2.202  -3.170 -14.028
  237    HD2  PHE  38           HD2      PHE  38  -1.038  -0.887 -10.580
  238    HE1  PHE  38           HE1      PHE  38  -3.567  -4.653 -12.585
  239    HE2  PHE  38           HE2      PHE  38  -2.407  -2.370  -9.138
  240    HZ   PHE  38           HZ       PHE  38  -3.670  -4.252 -10.140
  241    H    SER  39           H        SER  39   0.891   1.533 -11.422
  242    HA   SER  39           HA       SER  39   2.083   3.259 -13.385
  243   1HB   SER  39          2HB       SER  39   2.491   2.606 -10.598
  244   2HB   SER  39          1HB       SER  39   4.030   2.733 -11.436
  245    HG   SER  39           HG       SER  39   3.234   4.754 -10.634
  246    H    ARG  40           H        ARG  40   4.735   2.877 -13.564
  247    HA   ARG  40           HA       ARG  40   4.914   0.239 -14.884
  248   1HB   ARG  40          2HB       ARG  40   6.954   1.225 -15.983
  249   2HB   ARG  40          1HB       ARG  40   5.463   2.098 -16.336
  250   1HG   ARG  40          2HG       ARG  40   6.787   3.058 -13.906
  251   2HG   ARG  40          1HG       ARG  40   7.790   3.232 -15.347
  252   1HD   ARG  40          2HD       ARG  40   5.449   4.099 -16.355
  253   2HD   ARG  40          1HD       ARG  40   5.206   4.545 -14.666
  254    HE   ARG  40           HE       ARG  40   7.260   5.668 -16.475
  255   1HH1  ARG  40          1HH2      ARG  40   6.568   4.974 -13.207
  256   2HH1  ARG  40          2HH2      ARG  40   7.040   6.534 -12.620
  257   1HH2  ARG  40          1HH1      ARG  40   7.589   7.850 -15.782
  258   2HH2  ARG  40          2HH1      ARG  40   7.618   8.164 -14.079
  259    H    ALA  41           H        ALA  41   6.077  -1.351 -13.910
  260    HA   ALA  41           HA       ALA  41   7.164  -1.371 -11.395
  261   1HB   ALA  41          1HB       ALA  41   7.051  -3.299 -13.091
  262   2HB   ALA  41          2HB       ALA  41   8.439  -3.286 -12.004
  263   3HB   ALA  41          3HB       ALA  41   8.618  -2.734 -13.668
  264    H    GLY  42           H        GLY  42   9.400  -1.237 -10.586
  265   1HA   GLY  42          2HA       GLY  42  11.599  -0.356 -10.584
  266   2HA   GLY  42          1HA       GLY  42  11.306   0.295 -12.187
  267    H    LYS  43           H        LYS  43   8.917   0.861  -9.718
  268    HA   LYS  43           HA       LYS  43   9.899   3.673  -9.609
  269   1HB   LYS  43          2HB       LYS  43   7.646   4.423  -9.356
  270   2HB   LYS  43          1HB       LYS  43   7.617   3.242 -10.666
  271   1HG   LYS  43          2HG       LYS  43   7.207   1.568  -8.632
  272   2HG   LYS  43          1HG       LYS  43   6.542   3.027  -7.896
  273   1HD   LYS  43          2HD       LYS  43   4.677   2.164  -9.000
  274   2HD   LYS  43          1HD       LYS  43   5.305   3.296 -10.192
  275   1HE   LYS  43          2HE       LYS  43   5.429   1.581 -11.643
  276   2HE   LYS  43          1HE       LYS  43   6.700   0.892 -10.634
  277   1HZ   LYS  43          1HZ       LYS  43   5.329  -0.667  -9.887
  278   2HZ   LYS  43          2HZ       LYS  43   4.259  -0.214 -11.127
  279   3HZ   LYS  43          3HZ       LYS  43   4.086   0.441  -9.570
  280    H    ILE  44           H        ILE  44  10.311   4.536  -7.595
  281    HA   ILE  44           HA       ILE  44  10.450   2.657  -5.374
  282    HB   ILE  44           HB       ILE  44  12.197   4.323  -5.658
  283   1HG1  ILE  44          2HG1      ILE  44  11.870   5.543  -3.362
  284   2HG1  ILE  44          1HG1      ILE  44  10.421   4.545  -3.235
  285   1HG2  ILE  44          1HG2      ILE  44  10.103   5.984  -6.401
  286   2HG2  ILE  44          2HG2      ILE  44  11.776   6.484  -6.159
  287   3HG2  ILE  44          3HG2      ILE  44  10.609   6.641  -4.845
  288   1HD1  ILE  44          1HD1      ILE  44  12.835   3.702  -2.384
  289   2HD1  ILE  44          2HD1      ILE  44  12.918   3.155  -4.059
  290   3HD1  ILE  44          3HD1      ILE  44  11.612   2.598  -3.012
  291    H    CYS  45           H        CYS  45   8.733   2.177  -4.191
  292    HA   CYS  45           HA       CYS  45   6.571   4.199  -3.787
  293   1HB   CYS  45          2HB       CYS  45   5.433   2.118  -2.712
  294   2HB   CYS  45          1HB       CYS  45   5.525   2.223  -4.463
  295    H    ARG  46           H        ARG  46   9.355   3.145  -2.327
  296    HA   ARG  46           HA       ARG  46   8.568   4.349   0.206
  297   1HB   ARG  46          2HB       ARG  46   8.371   1.525  -0.088
  298   2HB   ARG  46          1HB       ARG  46   9.782   1.845   0.922
  299   1HG   ARG  46          2HG       ARG  46   7.138   3.215   1.424
  300   2HG   ARG  46          1HG       ARG  46   7.506   1.636   2.118
  301   1HD   ARG  46          2HD       ARG  46   9.718   2.777   2.916
  302   2HD   ARG  46          1HD       ARG  46   8.839   4.281   2.642
  303    HE   ARG  46           HE       ARG  46   7.060   3.169   4.206
  304   1HH1  ARG  46          1HH1      ARG  46   9.173   4.636   5.672
  305   2HH1  ARG  46          2HH1      ARG  46   9.781   3.440   6.767
  306   1HH2  ARG  46          1HH2      ARG  46   8.392   0.772   5.042
  307   2HH2  ARG  46          2HH2      ARG  46   9.337   1.253   6.411
  308    H    ILE  47           H        ILE  47  10.312   5.350   1.080
  309    HA   ILE  47           HA       ILE  47  12.908   4.895  -0.245
  310    HB   ILE  47           HB       ILE  47  12.963   7.165  -0.114
  311   1HG1  ILE  47          2HG1      ILE  47  13.304   6.544   2.832
  312   2HG1  ILE  47          1HG1      ILE  47  14.570   6.862   1.646
  313   1HG2  ILE  47          1HG2      ILE  47  10.550   7.220   0.309
  314   2HG2  ILE  47          2HG2      ILE  47  11.367   8.474   1.241
  315   3HG2  ILE  47          3HG2      ILE  47  10.834   6.992   2.035
  316   1HD1  ILE  47          1HD1      ILE  47  12.635   8.788   2.908
  317   2HD1  ILE  47          2HD1      ILE  47  13.347   9.155   1.337
  318   3HD1  ILE  47          3HD1      ILE  47  14.386   8.925   2.745
  319    H    ALA  48           H        ALA  48  11.448   3.323   1.978
  320    HA   ALA  48           HA       ALA  48  12.039   2.146   3.920
  321   1HB   ALA  48          1HB       ALA  48  14.662   2.245   2.397
  322   2HB   ALA  48          2HB       ALA  48  13.425   0.998   2.291
  323   3HB   ALA  48          3HB       ALA  48  14.355   1.185   3.773
  324    H    ARG  49           H        ARG  49  13.959   2.127   5.724
  325    HA   ARG  49           HA       ARG  49  13.914   4.760   6.918
  326   1HB   ARG  49          2HB       ARG  49  15.418   2.292   7.683
  327   2HB   ARG  49          1HB       ARG  49  15.262   3.716   8.700
  328   1HG   ARG  49          2HG       ARG  49  13.069   1.847   7.774
  329   2HG   ARG  49          1HG       ARG  49  13.564   2.191   9.432
  330   1HD   ARG  49          2HD       ARG  49  12.987   4.697   8.634
  331   2HD   ARG  49          1HD       ARG  49  11.888   3.810   7.580
  332    HE   ARG  49           HE       ARG  49  11.225   2.666   9.887
  333   1HH1  ARG  49          1HH2      ARG  49  10.212   5.465   8.740
  334   2HH1  ARG  49          2HH2      ARG  49  10.073   6.323  10.238
  335   1HH2  ARG  49          1HH1      ARG  49  11.859   3.974  12.057
  336   2HH2  ARG  49          2HH1      ARG  49  11.004   5.479  12.115
  337    H    GLY  50           H        GLY  50  16.915   2.958   6.881
  338   1HA   GLY  50          2HA       GLY  50  18.209   4.898   5.126
  339   2HA   GLY  50          1HA       GLY  50  18.755   4.913   6.799
  340    H    ASP  51           H        ASP  51  19.195   3.472   3.775
  341    HA   ASP  51           HA       ASP  51  20.880   1.944   3.132
  342   1HB   ASP  51          2HB       ASP  51  21.569   2.480   5.781
  343   2HB   ASP  51          1HB       ASP  51  21.435   0.725   5.682
  344    H    TRP  52           H        TRP  52  19.688   0.446   2.087
  345    HA   TRP  52           HA       TRP  52  19.346  -2.164   2.945
  346   1HB   TRP  52          2HB       TRP  52  16.656  -1.944   3.169
  347   2HB   TRP  52          1HB       TRP  52  17.738  -1.946   4.552
  348    HD1  TRP  52           HD1      TRP  52  16.421  -0.390   6.075
  349    HE1  TRP  52           HE1      TRP  52  15.788   2.084   5.985
  350    HE3  TRP  52           HE3      TRP  52  17.637   0.722   1.239
  351    HZ2  TRP  52           HZ2      TRP  52  15.804   4.266   4.127
  352    HZ3  TRP  52           HZ3      TRP  52  17.331   3.002   0.358
  353    HH2  TRP  52           HH2      TRP  52  16.409   4.772   1.825
  354    H    ASN  53           H        ASN  53  16.918  -2.941   1.731
  355    HA   ASN  53           HA       ASN  53  17.522  -2.242  -1.081
  356   1HB   ASN  53          2HB       ASN  53  16.201  -4.499   0.330
  357   2HB   ASN  53          1HB       ASN  53  15.516  -4.069  -1.238
  358   1HD2  ASN  53          1HD2      ASN  53  16.461  -5.261  -2.889
  359   2HD2  ASN  53          2HD2      ASN  53  18.086  -5.748  -2.938
  360    H    ASP  54           H        ASP  54  16.484  -0.373  -1.682
  361    HA   ASP  54           HA       ASP  54  14.140   0.687  -0.470
  362   1HB   ASP  54          2HB       ASP  54  13.930   1.859  -2.822
  363   2HB   ASP  54          1HB       ASP  54  15.283   2.257  -1.767
  364    H    ASP  55           H        ASP  55  11.969   0.832  -1.370
  365    HA   ASP  55           HA       ASP  55  11.078  -1.744  -2.471
  366   1HB   ASP  55          2HB       ASP  55   9.984   0.144  -0.732
  367   2HB   ASP  55          1HB       ASP  55   9.035   0.291  -2.204
  368    H    ARG  56           H        ARG  56  10.129  -2.004  -4.513
  369    HA   ARG  56           HA       ARG  56  10.013   0.376  -6.302
  370   1HB   ARG  56          2HB       ARG  56  12.205  -1.068  -6.409
  371   2HB   ARG  56          1HB       ARG  56  11.186  -2.209  -7.283
  372   1HG   ARG  56          2HG       ARG  56  12.176  -0.828  -8.941
  373   2HG   ARG  56          1HG       ARG  56  10.518  -0.250  -8.779
  374   1HD   ARG  56          2HD       ARG  56  12.145   1.621  -8.839
  375   2HD   ARG  56          1HD       ARG  56  11.280   1.560  -7.305
  376    HE   ARG  56           HE       ARG  56  13.342   1.135  -6.253
  377   1HH1  ARG  56          1HH1      ARG  56  13.461   0.444  -9.635
  378   2HH1  ARG  56          2HH1      ARG  56  15.139   0.018  -9.621
  379   1HH2  ARG  56          1HH2      ARG  56  15.525   0.551  -6.218
  380   2HH2  ARG  56          2HH2      ARG  56  16.307   0.077  -7.691
  381    H    CYS  57           H        CYS  57   7.720   0.259  -6.507
  382    HA   CYS  57           HA       CYS  57   6.143  -2.043  -6.647
  383   1HB   CYS  57          2HB       CYS  57   5.795   0.520  -8.219
  384   2HB   CYS  57          1HB       CYS  57   4.578  -0.742  -8.113
  385    H    THR  58           H        THR  58   5.445  -3.380  -8.354
  386    HA   THR  58           HA       THR  58   7.428  -3.684 -10.516
  387    HB   THR  58           HB       THR  58   6.716  -5.887 -10.673
  388    HG1  THR  58           HG1      THR  58   4.427  -6.199  -9.624
  389   1HG2  THR  58          1HG2      THR  58   6.713  -6.711  -8.506
  390   2HG2  THR  58          2HG2      THR  58   5.566  -5.497  -7.938
  391   3HG2  THR  58          3HG2      THR  58   7.254  -5.059  -8.205
  392    H    GLY  59           H        GLY  59   5.490  -5.015 -12.297
  393   1HA   GLY  59          2HA       GLY  59   4.331  -2.543 -13.478
  394   2HA   GLY  59          1HA       GLY  59   4.642  -4.043 -14.352
  395    H    GLN  60           H        GLN  60   3.245  -4.511 -11.276
  396    HA   GLN  60           HA       GLN  60   0.465  -4.409 -12.279
  397   1HB   GLN  60          2HB       GLN  60   1.825  -6.967 -11.374
  398   2HB   GLN  60          1HB       GLN  60   0.084  -6.792 -11.597
  399   1HG   GLN  60          2HG       GLN  60   0.963  -5.827 -13.975
  400   2HG   GLN  60          1HG       GLN  60   2.238  -6.994 -13.625
  401   1HE2  GLN  60          1HE2      GLN  60   1.505  -9.282 -13.182
  402   2HE2  GLN  60          2HE2      GLN  60   0.056  -9.831 -13.874
  403    H    SER  61           H        SER  61   2.414  -3.427 -10.012
  404    HA   SER  61           HA       SER  61   0.692  -4.249  -7.717
  405   1HB   SER  61          2HB       SER  61   2.520  -4.016  -6.334
  406   2HB   SER  61          1HB       SER  61   3.359  -4.402  -7.832
  407    HG   SER  61           HG       SER  61   3.526  -2.200  -6.363
  408    H    ALA  62           H        ALA  62  -0.909  -2.786  -7.370
  409    HA   ALA  62           HA       ALA  62  -0.585   0.023  -8.161
  410   1HB   ALA  62          1HB       ALA  62  -2.918  -0.033  -6.757
  411   2HB   ALA  62          2HB       ALA  62  -2.797  -1.724  -7.243
  412   3HB   ALA  62          3HB       ALA  62  -2.800  -0.453  -8.467
  413    H    ASP  63           H        ASP  63  -0.026  -1.883  -5.375
  414    HA   ASP  63           HA       ASP  63   0.244   0.596  -3.730
  415   1HB   ASP  63          2HB       ASP  63  -0.417  -2.182  -2.782
  416   2HB   ASP  63          1HB       ASP  63  -0.231  -0.770  -1.752
  417    H    CYS  64           H        CYS  64   1.695  -0.549  -1.615
  418    HA   CYS  64           HA       CYS  64   4.037  -1.799  -2.951
  419   1HB   CYS  64          2HB       CYS  64   4.336   0.690  -2.831
  420   2HB   CYS  64          1HB       CYS  64   4.312   0.552  -1.075
  421    HA   PRO  65           HA       PRO  65   3.834  -4.192   0.740
  422   1HB   PRO  65          2HB       PRO  65   5.815  -5.906  -0.037
  423   2HB   PRO  65          1HB       PRO  65   4.160  -6.020  -0.632
  424   1HG   PRO  65          2HG       PRO  65   6.612  -5.122  -2.033
  425   2HG   PRO  65          1HG       PRO  65   5.085  -5.707  -2.714
  426   1HD   PRO  65          2HD       PRO  65   5.949  -2.990  -2.507
  427   2HD   PRO  65          1HD       PRO  65   4.359  -3.572  -3.047
  428    H    ARG  66           H        ARG  66   4.868  -2.163   1.825
  429    HA   ARG  66           HA       ARG  66   7.682  -1.811   1.969
  430   1HB   ARG  66          2HB       ARG  66   7.271  -0.467   3.926
  431   2HB   ARG  66          1HB       ARG  66   5.926  -0.202   2.816
  432   1HG   ARG  66          2HG       ARG  66   4.473  -1.605   4.077
  433   2HG   ARG  66          1HG       ARG  66   5.811  -2.287   5.003
  434   1HD   ARG  66          2HD       ARG  66   5.934   0.526   5.348
  435   2HD   ARG  66          1HD       ARG  66   4.249   0.057   5.581
  436    HE   ARG  66           HE       ARG  66   6.108  -1.676   7.005
  437   1HH1  ARG  66          1HH2      ARG  66   3.284  -0.485   7.683
  438   2HH1  ARG  66          2HH2      ARG  66   3.686   0.418   9.105
  439   1HH2  ARG  66          1HH1      ARG  66   7.108   0.247   8.565
  440   2HH2  ARG  66          2HH1      ARG  66   5.852   0.833   9.606
  441    H    TYR  67           H        TYR  67   9.012  -2.259   4.002
  442    HA   TYR  67           HA       TYR  67   8.261  -4.366   5.790
  443   1HB   TYR  67          2HB       TYR  67   9.682  -6.168   4.916
  444   2HB   TYR  67          1HB       TYR  67   8.462  -5.724   3.722
  445    HD1  TYR  67           HD1      TYR  67   9.096  -4.137   1.846
  446    HD2  TYR  67           HD2      TYR  67  12.001  -5.947   4.441
  447    HE1  TYR  67           HE1      TYR  67  10.882  -3.619   0.206
  448    HE2  TYR  67           HE2      TYR  67  13.788  -5.429   2.801
  449    HH   TYR  67           HH       TYR  67  13.067  -3.650  -0.201
  450    H    HIS  68           HN       HIS  68   9.526  -1.805   5.978
  451    HA   HIS  68           HA       HIS  68  12.287  -2.582   6.827
  452   1HB   HIS  68          2HB       HIS  68  11.245   0.203   6.232
  453   2HB   HIS  68          1HB       HIS  68  12.919  -0.256   6.545
  454    HD1  HIS  68           HD1      HIS  68  10.246  -0.409   3.915
  455    HD2  HIS  68           HD2      HIS  68  14.229  -1.551   4.369
  456    HE1  HIS  68           HE1      HIS  68  11.076  -1.043   1.608
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1 -12.021 -14.970  -1.331
    2   2H    GLY   1          2HT       GLY   1 -11.150 -16.402  -1.051
    3   3H    GLY   1          3HT       GLY   1 -10.688 -15.354  -2.306
    4   1HA   GLY   1          1HA       GLY   1 -10.587 -14.727   0.595
    5   2HA   GLY   1          2HA       GLY   1  -9.201 -15.135  -0.416
    6    H    LYS   2           H        LYS   2  -8.431 -13.582  -1.902
    7    HA   LYS   2           HA       LYS   2  -9.044 -10.819  -1.234
    8   1HB   LYS   2          2HB       LYS   2  -6.805 -11.958  -2.117
    9   2HB   LYS   2          1HB       LYS   2  -7.487 -11.526  -3.686
   10   1HG   LYS   2          2HG       LYS   2  -7.578  -9.208  -3.114
   11   2HG   LYS   2          1HG       LYS   2  -7.268  -9.545  -1.411
   12   1HD   LYS   2          2HD       LYS   2  -5.288 -10.243  -3.588
   13   2HD   LYS   2          1HD       LYS   2  -5.272  -8.687  -2.756
   14   1HE   LYS   2          2HE       LYS   2  -4.074  -9.644  -1.109
   15   2HE   LYS   2          1HE       LYS   2  -5.479 -10.639  -0.729
   16   1HZ   LYS   2          1HZ       LYS   2  -4.690 -12.148  -2.561
   17   2HZ   LYS   2          2HZ       LYS   2  -3.730 -12.121  -1.159
   18   3HZ   LYS   2          3HZ       LYS   2  -3.234 -11.279  -2.549
   19    H    GLU   3           H        GLU   3 -10.611  -9.592  -2.165
   20    HA   GLU   3           HA       GLU   3 -11.277  -9.788  -4.978
   21   1HB   GLU   3          2HB       GLU   3 -12.647 -11.538  -3.192
   22   2HB   GLU   3          1HB       GLU   3 -13.786 -10.308  -3.738
   23   1HG   GLU   3          2HG       GLU   3 -12.033 -11.409  -5.846
   24   2HG   GLU   3          1HG       GLU   3 -13.187 -12.553  -5.163
   25    H    CYS   4           H        CYS   4 -10.489  -7.662  -3.313
   26    HA   CYS   4           HA       CYS   4 -12.831  -5.894  -3.606
   27   1HB   CYS   4          2HB       CYS   4 -12.742  -6.798  -1.241
   28   2HB   CYS   4          1HB       CYS   4 -11.265  -5.889  -1.071
   29    H    ASP   5           H        ASP   5 -11.231  -5.510  -5.434
   30    HA   ASP   5           HA       ASP   5  -8.706  -4.437  -5.284
   31   1HB   ASP   5          2HB       ASP   5 -10.445  -4.686  -7.284
   32   2HB   ASP   5          1HB       ASP   5 -10.642  -2.955  -6.997
   33    H    CYS   6           H        CYS   6 -11.673  -2.862  -4.244
   34    HA   CYS   6           HA       CYS   6 -10.005  -0.615  -3.196
   35   1HB   CYS   6          2HB       CYS   6 -11.884  -0.465  -5.343
   36   2HB   CYS   6          1HB       CYS   6 -12.530   0.411  -3.960
   37    H    SER   7           H        SER   7 -11.098   0.587  -1.456
   38    HA   SER   7           HA       SER   7 -13.393  -0.887  -0.246
   39   1HB   SER   7          2HB       SER   7 -12.274  -0.311   2.007
   40   2HB   SER   7          1HB       SER   7 -11.577  -1.633   1.076
   41    HG   SER   7           HG       SER   7 -10.592   0.854   0.433
   42    H    SER   8           H        SER   8 -13.272   1.615  -1.829
   43    HA   SER   8           HA       SER   8 -14.393   3.432   0.253
   44   1HB   SER   8          2HB       SER   8 -12.068   3.882  -1.346
   45   2HB   SER   8          1HB       SER   8 -13.316   5.023  -1.834
   46    HG   SER   8           HG       SER   8 -11.784   5.222   0.237
   47    HA   PRO   9           HA       PRO   9 -17.701   3.331  -2.745
   48   1HB   PRO   9          2HB       PRO   9 -19.461   4.798  -1.233
   49   2HB   PRO   9          1HB       PRO   9 -19.134   3.079  -0.957
   50   1HG   PRO   9          2HG       PRO   9 -18.238   5.436   0.630
   51   2HG   PRO   9          1HG       PRO   9 -18.466   3.756   1.146
   52   1HD   PRO   9          2HD       PRO   9 -15.983   5.006   0.550
   53   2HD   PRO   9          1HD       PRO   9 -16.256   3.268   0.798
   54    H    GLU  10           H        GLU  10 -15.671   5.840  -2.123
   55    HA   GLU  10           HA       GLU  10 -17.343   7.818  -3.624
   56   1HB   GLU  10          2HB       GLU  10 -15.507   8.055  -1.363
   57   2HB   GLU  10          1HB       GLU  10 -15.095   9.162  -2.672
   58   1HG   GLU  10          2HG       GLU  10 -17.226  10.195  -2.624
   59   2HG   GLU  10          1HG       GLU  10 -17.931   8.883  -1.678
   60    H    ASN  11           H        ASN  11 -14.601   5.789  -3.770
   61    HA   ASN  11           HA       ASN  11 -12.979   7.240  -5.624
   62   1HB   ASN  11          2HB       ASN  11 -12.911   4.761  -4.278
   63   2HB   ASN  11          1HB       ASN  11 -12.825   4.388  -5.995
   64   1HD2  ASN  11          1HD2      ASN  11 -10.554   3.881  -4.474
   65   2HD2  ASN  11          2HD2      ASN  11  -9.346   5.011  -4.838
   66    HA   PRO  12           HA       PRO  12 -15.377   6.607  -9.306
   67   1HB   PRO  12          2HB       PRO  12 -13.431   7.362 -11.092
   68   2HB   PRO  12          1HB       PRO  12 -14.349   8.516 -10.109
   69   1HG   PRO  12          2HG       PRO  12 -11.525   7.619  -9.799
   70   2HG   PRO  12          1HG       PRO  12 -12.283   9.134  -9.282
   71   1HD   PRO  12          2HD       PRO  12 -11.676   6.912  -7.623
   72   2HD   PRO  12          1HD       PRO  12 -12.683   8.309  -7.182
   73    H    CYS  13           H        CYS  13 -12.035   5.388  -9.192
   74    HA   CYS  13           HA       CYS  13 -12.599   3.278 -11.181
   75   1HB   CYS  13          2HB       CYS  13 -10.272   4.598 -10.118
   76   2HB   CYS  13          1HB       CYS  13 -10.107   2.857  -9.900
   77    H    CYS  14           H        CYS  14 -14.025   3.299  -8.545
   78    HA   CYS  14           HA       CYS  14 -13.190   0.563  -7.739
   79   1HB   CYS  14          2HB       CYS  14 -13.740   2.825  -5.809
   80   2HB   CYS  14          1HB       CYS  14 -13.315   1.175  -5.386
   81    H    ASP  15           H        ASP  15 -14.854  -0.533  -6.423
   82    HA   ASP  15           HA       ASP  15 -17.603   0.551  -6.786
   83   1HB   ASP  15          2HB       ASP  15 -16.689  -1.336  -8.470
   84   2HB   ASP  15          1HB       ASP  15 -17.214  -2.359  -7.138
   85    H    ALA  16           H        ALA  16 -18.622   0.516  -4.841
   86    HA   ALA  16           HA       ALA  16 -17.462  -1.056  -2.653
   87   1HB   ALA  16          1HB       ALA  16 -18.380   1.435  -2.623
   88   2HB   ALA  16          2HB       ALA  16 -18.542   0.394  -1.210
   89   3HB   ALA  16          3HB       ALA  16 -19.910   0.621  -2.299
   90    H    ALA  17           H        ALA  17 -19.787  -1.594  -4.998
   91    HA   ALA  17           HA       ALA  17 -21.489  -3.243  -3.193
   92   1HB   ALA  17          1HB       ALA  17 -22.301  -1.589  -5.132
   93   2HB   ALA  17          2HB       ALA  17 -23.171  -3.080  -4.767
   94   3HB   ALA  17          3HB       ALA  17 -22.043  -3.026  -6.122
   95    H    THR  18           H        THR  18 -18.836  -3.525  -5.281
   96    HA   THR  18           HA       THR  18 -19.231  -6.476  -5.376
   97    HB   THR  18           HB       THR  18 -19.051  -4.627  -7.598
   98    HG1  THR  18           HG1      THR  18 -20.305  -6.716  -7.022
   99   1HG2  THR  18          1HG2      THR  18 -17.425  -5.843  -8.970
  100   2HG2  THR  18          2HG2      THR  18 -17.050  -6.904  -7.612
  101   3HG2  THR  18          3HG2      THR  18 -16.635  -5.192  -7.533
  102    H    CYS  19           H        CYS  19 -17.450  -4.055  -4.130
  103    HA   CYS  19           HA       CYS  19 -15.216  -3.825  -3.441
  104   1HB   CYS  19          2HB       CYS  19 -16.164  -6.476  -2.791
  105   2HB   CYS  19          1HB       CYS  19 -14.434  -6.481  -3.039
  106    H    LYS  20           H        LYS  20 -14.632  -3.177  -5.691
  107    HA   LYS  20           HA       LYS  20 -12.282  -4.482  -6.576
  108   1HB   LYS  20          2HB       LYS  20 -14.787  -5.564  -7.709
  109   2HB   LYS  20          1HB       LYS  20 -13.545  -5.155  -8.891
  110   1HG   LYS  20          2HG       LYS  20 -12.271  -6.459  -6.687
  111   2HG   LYS  20          1HG       LYS  20 -13.648  -7.442  -7.190
  112   1HD   LYS  20          2HD       LYS  20 -12.743  -7.904  -9.240
  113   2HD   LYS  20          1HD       LYS  20 -11.976  -6.320  -9.375
  114   1HE   LYS  20          2HE       LYS  20 -10.054  -7.023  -8.370
  115   2HE   LYS  20          1HE       LYS  20 -10.913  -8.049  -7.222
  116   1HZ   LYS  20          1HZ       LYS  20  -9.818  -8.698  -9.810
  117   2HZ   LYS  20          2HZ       LYS  20 -11.391  -9.287  -9.558
  118   3HZ   LYS  20          3HZ       LYS  20 -10.142  -9.705  -8.485
  119    H    LEU  21           H        LEU  21 -12.259  -3.892  -9.297
  120    HA   LEU  21           HA       LEU  21 -12.244  -0.968  -9.203
  121   1HB   LEU  21          2HB       LEU  21 -11.351  -3.071 -11.136
  122   2HB   LEU  21          1HB       LEU  21 -11.636  -1.442 -11.753
  123    HG   LEU  21           HG       LEU  21  -9.974  -1.909  -9.286
  124   1HD1  LEU  21          1HD1      LEU  21  -8.889  -1.665 -12.101
  125   2HD1  LEU  21          2HD1      LEU  21  -9.097  -3.217 -11.291
  126   3HD1  LEU  21          3HD1      LEU  21  -7.988  -2.018 -10.628
  127   1HD2  LEU  21          1HD2      LEU  21 -10.888   0.344 -10.779
  128   2HD2  LEU  21          2HD2      LEU  21  -9.133   0.252 -10.933
  129   3HD2  LEU  21          3HD2      LEU  21  -9.877   0.327  -9.334
  130    H    ARG  22           H        ARG  22 -13.811   0.369 -10.056
  131    HA   ARG  22           HA       ARG  22 -16.337  -0.806 -10.863
  132   1HB   ARG  22          2HB       ARG  22 -15.494   1.718  -9.985
  133   2HB   ARG  22          1HB       ARG  22 -16.042   1.981 -11.641
  134   1HG   ARG  22          2HG       ARG  22 -18.141   0.699 -11.054
  135   2HG   ARG  22          1HG       ARG  22 -17.612   0.738  -9.371
  136   1HD   ARG  22          2HD       ARG  22 -18.028   2.981  -9.151
  137   2HD   ARG  22          1HD       ARG  22 -17.579   3.333 -10.819
  138    HE   ARG  22           HE       ARG  22 -20.076   1.829 -10.563
  139   1HH1  ARG  22          1HH2      ARG  22 -19.731   4.697  -9.168
  140   2HH1  ARG  22          2HH2      ARG  22 -20.605   5.645 -10.324
  141   1HH2  ARG  22          1HH1      ARG  22 -20.691   3.135 -12.714
  142   2HH2  ARG  22          2HH1      ARG  22 -21.148   4.761 -12.332
  143    HA   PRO  23           HA       PRO  23 -15.083   0.697 -15.215
  144   1HB   PRO  23          2HB       PRO  23 -12.602   1.818 -15.527
  145   2HB   PRO  23          1HB       PRO  23 -14.040   2.757 -15.087
  146   1HG   PRO  23          2HG       PRO  23 -11.758   1.902 -13.375
  147   2HG   PRO  23          1HG       PRO  23 -12.812   3.315 -13.207
  148   1HD   PRO  23          2HD       PRO  23 -12.995   0.921 -11.713
  149   2HD   PRO  23          1HD       PRO  23 -14.232   2.191 -11.810
  150    H    GLY  24           H        GLY  24 -12.702   0.365 -16.680
  151   1HA   GLY  24          2HA       GLY  24 -12.017  -2.462 -16.018
  152   2HA   GLY  24          1HA       GLY  24 -11.922  -1.756 -17.632
  153    H    ALA  25           H        ALA  25 -10.823   0.223 -15.032
  154    HA   ALA  25           HA       ALA  25  -8.215   0.551 -16.098
  155   1HB   ALA  25          1HB       ALA  25  -9.414   2.063 -14.429
  156   2HB   ALA  25          2HB       ALA  25  -7.706   1.769 -14.100
  157   3HB   ALA  25          3HB       ALA  25  -8.942   0.907 -13.184
  158    H    GLN  26           H        GLN  26  -6.339   0.149 -14.161
  159    HA   GLN  26           HA       GLN  26  -6.371  -2.819 -13.855
  160   1HB   GLN  26          2HB       GLN  26  -4.375  -0.956 -14.820
  161   2HB   GLN  26          1HB       GLN  26  -3.744  -1.941 -13.500
  162   1HG   GLN  26          2HG       GLN  26  -3.381  -3.489 -15.128
  163   2HG   GLN  26          1HG       GLN  26  -5.107  -3.809 -14.961
  164   1HE2  GLN  26          1HE2      GLN  26  -2.838  -1.691 -16.792
  165   2HE2  GLN  26          2HE2      GLN  26  -3.814  -1.596 -18.177
  166    H    CYS  27           H        CYS  27  -6.831  -0.084 -12.074
  167    HA   CYS  27           HA       CYS  27  -6.626  -1.392  -9.559
  168   1HB   CYS  27          2HB       CYS  27  -4.631  -0.296  -8.631
  169   2HB   CYS  27          1HB       CYS  27  -4.203  -1.304 -10.013
  170    H    GLY  28           H        GLY  28  -7.779  -0.210  -8.088
  171   1HA   GLY  28          2HA       GLY  28  -8.506   2.570  -8.882
  172   2HA   GLY  28          1HA       GLY  28  -9.459   1.542  -7.812
  173    H    GLU  29           H        GLU  29  -6.330   1.029  -6.922
  174    HA   GLU  29           HA       GLU  29  -5.579   3.369  -5.503
  175   1HB   GLU  29          2HB       GLU  29  -6.389   2.972  -3.282
  176   2HB   GLU  29          1HB       GLU  29  -7.787   2.841  -4.350
  177   1HG   GLU  29          2HG       GLU  29  -8.086   0.892  -3.173
  178   2HG   GLU  29          1HG       GLU  29  -6.992   0.278  -4.412
  179    H    GLY  30           H        GLY  30  -3.449   3.013  -5.111
  180   1HA   GLY  30          1HA       GLY  30  -2.480   0.617  -3.807
  181   2HA   GLY  30          2HA       GLY  30  -2.085   0.613  -5.523
  182    H    LEU  31           H        LEU  31  -0.083   0.741  -3.513
  183    HA   LEU  31           HA       LEU  31   0.795   3.388  -2.915
  184   1HB   LEU  31          2HB       LEU  31   1.798   0.754  -2.585
  185   2HB   LEU  31          1HB       LEU  31   3.056   1.713  -3.346
  186    HG   LEU  31           HG       LEU  31   3.182   1.851  -0.878
  187   1HD1  LEU  31          1HD1      LEU  31   2.207   4.475  -2.031
  188   2HD1  LEU  31          2HD1      LEU  31   3.787   3.789  -2.412
  189   3HD1  LEU  31          3HD1      LEU  31   3.397   4.236  -0.752
  190   1HD2  LEU  31          1HD2      LEU  31   0.947   3.563  -0.391
  191   2HD2  LEU  31          2HD2      LEU  31   1.277   1.982   0.318
  192   3HD2  LEU  31          3HD2      LEU  31   0.345   2.102  -1.175
  193    H    CYS  32           H        CYS  32   0.673   1.670  -5.850
  194    HA   CYS  32           HA       CYS  32   2.203   3.835  -7.186
  195   1HB   CYS  32          2HB       CYS  32   2.551   0.880  -7.782
  196   2HB   CYS  32          1HB       CYS  32   3.364   2.211  -8.608
  197    H    CYS  33           H        CYS  33  -0.709   2.929  -6.868
  198    HA   CYS  33           HA       CYS  33  -1.433   2.056  -9.565
  199   1HB   CYS  33          2HB       CYS  33  -2.864   1.338  -7.754
  200   2HB   CYS  33          1HB       CYS  33  -3.113   2.999  -7.223
  201    H    GLU  34           H        GLU  34  -0.875   3.603 -11.074
  202    HA   GLU  34           HA       GLU  34  -1.089   6.425 -10.722
  203   1HB   GLU  34          2HB       GLU  34  -0.080   4.792 -12.664
  204   2HB   GLU  34          1HB       GLU  34  -1.531   5.412 -13.442
  205   1HG   GLU  34          2HG       GLU  34  -0.788   7.602 -13.421
  206   2HG   GLU  34          1HG       GLU  34   0.214   7.352 -11.990
  207    H    GLN  35           H        GLN  35  -2.635   7.493 -12.690
  208    HA   GLN  35           HA       GLN  35  -5.250   7.462 -11.589
  209   1HB   GLN  35          2HB       GLN  35  -3.995   8.539 -14.067
  210   2HB   GLN  35          1HB       GLN  35  -5.752   8.377 -14.069
  211   1HG   GLN  35          2HG       GLN  35  -4.825   9.496 -11.559
  212   2HG   GLN  35          1HG       GLN  35  -4.266  10.464 -12.923
  213   1HE2  GLN  35          1HE2      GLN  35  -6.306  10.382 -14.742
  214   2HE2  GLN  35          2HE2      GLN  35  -7.756  10.953 -14.068
  215    H    CYS  36           H        CYS  36  -5.893   5.236 -11.450
  216    HA   CYS  36           HA       CYS  36  -6.949   3.292 -12.223
  217   1HB   CYS  36          2HB       CYS  36  -7.564   5.203 -14.491
  218   2HB   CYS  36          1HB       CYS  36  -8.268   3.591 -14.356
  219    H    LYS  37           H        LYS  37  -4.161   3.393 -12.674
  220    HA   LYS  37           HA       LYS  37  -3.949   1.473 -14.867
  221   1HB   LYS  37          2HB       LYS  37  -3.801   3.775 -15.961
  222   2HB   LYS  37          1HB       LYS  37  -2.293   4.001 -15.074
  223   1HG   LYS  37          2HG       LYS  37  -1.177   2.358 -16.278
  224   2HG   LYS  37          1HG       LYS  37  -2.662   1.491 -16.671
  225   1HD   LYS  37          2HD       LYS  37  -2.715   4.182 -17.761
  226   2HD   LYS  37          1HD       LYS  37  -1.298   3.298 -18.328
  227   1HE   LYS  37          2HE       LYS  37  -2.541   1.864 -19.572
  228   2HE   LYS  37          1HE       LYS  37  -3.774   1.706 -18.320
  229   1HZ   LYS  37          1HZ       LYS  37  -3.535   3.725 -20.445
  230   2HZ   LYS  37          2HZ       LYS  37  -4.347   4.116 -19.006
  231   3HZ   LYS  37          3HZ       LYS  37  -4.892   2.825 -19.967
  232    H    PHE  38           H        PHE  38  -2.249   0.075 -14.458
  233    HA   PHE  38           HA       PHE  38  -0.940   0.152 -11.923
  234   1HB   PHE  38          2HB       PHE  38  -0.555  -1.431 -14.446
  235   2HB   PHE  38          1HB       PHE  38   0.657  -1.538 -13.171
  236    HD1  PHE  38           HD1      PHE  38  -1.022  -1.265 -10.737
  237    HD2  PHE  38           HD2      PHE  38  -1.692  -3.491 -14.348
  238    HE1  PHE  38           HE1      PHE  38  -2.473  -2.845  -9.493
  239    HE2  PHE  38           HE2      PHE  38  -3.144  -5.072 -13.104
  240    HZ   PHE  38           HZ       PHE  38  -3.533  -4.749 -10.677
  241    H    SER  39           H        SER  39   0.733   1.438 -11.294
  242    HA   SER  39           HA       SER  39   2.034   3.324 -12.903
  243   1HB   SER  39          2HB       SER  39   2.450   3.701 -10.666
  244   2HB   SER  39          1HB       SER  39   2.703   1.996 -10.335
  245    HG   SER  39           HG       SER  39   4.527   3.822 -10.749
  246    H    ARG  40           H        ARG  40   4.393   3.308 -13.554
  247    HA   ARG  40           HA       ARG  40   4.951   0.846 -15.019
  248   1HB   ARG  40          2HB       ARG  40   5.733   3.630 -15.198
  249   2HB   ARG  40          1HB       ARG  40   7.120   2.556 -15.365
  250   1HG   ARG  40          2HG       ARG  40   4.534   2.280 -16.925
  251   2HG   ARG  40          1HG       ARG  40   6.000   3.034 -17.551
  252   1HD   ARG  40          2HD       ARG  40   7.232   0.969 -17.358
  253   2HD   ARG  40          1HD       ARG  40   5.902   0.196 -16.495
  254    HE   ARG  40           HE       ARG  40   6.049   0.642 -19.395
  255   1HH1  ARG  40          1HH2      ARG  40   3.377   1.642 -18.738
  256   2HH1  ARG  40          2HH2      ARG  40   2.408   0.206 -18.695
  257   1HH2  ARG  40          1HH1      ARG  40   5.121  -1.936 -18.433
  258   2HH2  ARG  40          2HH1      ARG  40   3.395  -1.818 -18.521
  259    H    ALA  41           H        ALA  41   6.454  -0.652 -14.424
  260    HA   ALA  41           HA       ALA  41   7.370  -1.125 -11.911
  261   1HB   ALA  41          1HB       ALA  41   9.403  -1.543 -14.056
  262   2HB   ALA  41          2HB       ALA  41   7.844  -2.350 -14.230
  263   3HB   ALA  41          3HB       ALA  41   8.843  -2.658 -12.809
  264    H    GLY  42           H        GLY  42   9.354  -0.702 -10.737
  265   1HA   GLY  42          2HA       GLY  42  11.301   0.563 -10.212
  266   2HA   GLY  42          1HA       GLY  42  11.041   1.498 -11.679
  267    H    LYS  43           H        LYS  43   8.278   1.005  -9.664
  268    HA   LYS  43           HA       LYS  43   8.096   3.881  -9.180
  269   1HB   LYS  43          2HB       LYS  43   6.122   2.295  -9.618
  270   2HB   LYS  43          1HB       LYS  43   6.339   1.775  -7.948
  271   1HG   LYS  43          2HG       LYS  43   5.894   4.648  -8.791
  272   2HG   LYS  43          1HG       LYS  43   4.643   3.579  -8.167
  273   1HD   LYS  43          2HD       LYS  43   6.337   3.268  -6.169
  274   2HD   LYS  43          1HD       LYS  43   6.960   4.818  -6.737
  275   1HE   LYS  43          2HE       LYS  43   4.016   4.372  -6.234
  276   2HE   LYS  43          1HE       LYS  43   5.109   4.917  -4.962
  277   1HZ   LYS  43          1HZ       LYS  43   5.628   6.464  -7.209
  278   2HZ   LYS  43          2HZ       LYS  43   4.906   6.958  -5.754
  279   3HZ   LYS  43          3HZ       LYS  43   3.941   6.415  -7.043
  280    H    ILE  44           H        ILE  44   9.037   4.856  -7.425
  281    HA   ILE  44           HA       ILE  44  10.019   3.200  -5.232
  282    HB   ILE  44           HB       ILE  44  11.322   5.146  -5.735
  283   1HG1  ILE  44          2HG1      ILE  44  11.028   6.540  -3.618
  284   2HG1  ILE  44          1HG1      ILE  44   9.626   5.531  -3.253
  285   1HG2  ILE  44          1HG2      ILE  44   8.629   6.409  -5.867
  286   2HG2  ILE  44          2HG2      ILE  44  10.024   6.619  -6.925
  287   3HG2  ILE  44          3HG2      ILE  44   9.978   7.424  -5.356
  288   1HD1  ILE  44          1HD1      ILE  44  10.909   3.638  -2.886
  289   2HD1  ILE  44          2HD1      ILE  44  12.044   4.880  -2.355
  290   3HD1  ILE  44          3HD1      ILE  44  12.196   4.175  -3.965
  291    H    CYS  45           H        CYS  45   8.145   2.226  -4.429
  292    HA   CYS  45           HA       CYS  45   5.781   3.749  -3.637
  293   1HB   CYS  45          2HB       CYS  45   5.138   1.550  -2.579
  294   2HB   CYS  45          1HB       CYS  45   5.507   1.441  -4.299
  295    H    ARG  46           H        ARG  46   8.776   3.765  -2.366
  296    HA   ARG  46           HA       ARG  46   7.986   4.872   0.138
  297   1HB   ARG  46          2HB       ARG  46   7.313   2.502   0.584
  298   2HB   ARG  46          1HB       ARG  46   8.995   2.022   0.361
  299   1HG   ARG  46          2HG       ARG  46   9.556   3.768   2.164
  300   2HG   ARG  46          1HG       ARG  46   7.828   3.783   2.519
  301   1HD   ARG  46          2HD       ARG  46   8.010   1.869   3.687
  302   2HD   ARG  46          1HD       ARG  46   8.741   1.058   2.303
  303    HE   ARG  46           HE       ARG  46  10.448   2.759   4.054
  304   1HH1  ARG  46          1HH1      ARG  46  11.576   1.063   1.841
  305   2HH1  ARG  46          2HH1      ARG  46  12.123  -0.335   2.706
  306   1HH2  ARG  46          1HH2      ARG  46  10.279   0.376   5.554
  307   2HH2  ARG  46          2HH2      ARG  46  11.389  -0.723   4.807
  308    H    ILE  47           H        ILE  47   9.700   6.010   0.910
  309    HA   ILE  47           HA       ILE  47  12.316   5.631  -0.399
  310    HB   ILE  47           HB       ILE  47  11.540   7.915  -0.184
  311   1HG1  ILE  47          2HG1      ILE  47  13.355   8.846   1.358
  312   2HG1  ILE  47          1HG1      ILE  47  13.753   7.172   1.743
  313   1HG2  ILE  47          1HG2      ILE  47  10.507   6.958   2.290
  314   2HG2  ILE  47          2HG2      ILE  47  10.267   8.545   1.560
  315   3HG2  ILE  47          3HG2      ILE  47  11.617   8.275   2.662
  316   1HD1  ILE  47          1HD1      ILE  47  15.164   7.419  -0.048
  317   2HD1  ILE  47          2HD1      ILE  47  14.181   8.687  -0.779
  318   3HD1  ILE  47          3HD1      ILE  47  13.708   6.996  -0.946
  319    H    ALA  48           H        ALA  48  13.845   4.348   0.536
  320    HA   ALA  48           HA       ALA  48  13.598   2.935   2.921
  321   1HB   ALA  48          1HB       ALA  48  15.681   2.186   2.438
  322   2HB   ALA  48          2HB       ALA  48  16.362   3.812   2.491
  323   3HB   ALA  48          3HB       ALA  48  15.596   3.224   1.014
  324    H    ARG  49           H        ARG  49  15.097   3.303   4.932
  325    HA   ARG  49           HA       ARG  49  14.586   6.072   5.857
  326   1HB   ARG  49          2HB       ARG  49  15.490   3.920   7.683
  327   2HB   ARG  49          1HB       ARG  49  14.384   5.250   8.002
  328   1HG   ARG  49          2HG       ARG  49  13.772   2.848   6.252
  329   2HG   ARG  49          1HG       ARG  49  13.184   3.084   7.899
  330   1HD   ARG  49          2HD       ARG  49  12.546   5.467   6.582
  331   2HD   ARG  49          1HD       ARG  49  12.173   4.203   5.410
  332    HE   ARG  49           HE       ARG  49  10.965   3.186   7.592
  333   1HH1  ARG  49          1HH2      ARG  49   9.691   5.080   5.428
  334   2HH1  ARG  49          2HH2      ARG  49   8.777   6.123   6.468
  335   1HH2  ARG  49          1HH1      ARG  49  10.396   5.103   9.358
  336   2HH2  ARG  49          2HH1      ARG  49   9.176   6.136   8.690
  337    H    GLY  50           H        GLY  50  17.086   3.619   6.233
  338   1HA   GLY  50          2HA       GLY  50  19.062   5.704   6.827
  339   2HA   GLY  50          1HA       GLY  50  19.338   3.970   6.949
  340    H    ASP  51           H        ASP  51  20.661   3.178   5.398
  341    HA   ASP  51           HA       ASP  51  20.667   4.508   2.746
  342   1HB   ASP  51          2HB       ASP  51  22.801   4.309   4.614
  343   2HB   ASP  51          1HB       ASP  51  23.189   3.279   3.237
  344    H    TRP  52           H        TRP  52  19.875   3.066   1.285
  345    HA   TRP  52           HA       TRP  52  21.081   0.544   0.793
  346   1HB   TRP  52          2HB       TRP  52  18.657  -0.592   1.483
  347   2HB   TRP  52          1HB       TRP  52  20.148  -0.736   2.408
  348    HD1  TRP  52           HD1      TRP  52  17.684   2.242   2.111
  349    HE1  TRP  52           HE1      TRP  52  16.988   2.935   4.495
  350    HE3  TRP  52           HE3      TRP  52  20.162  -1.296   4.807
  351    HZ2  TRP  52           HZ2      TRP  52  17.432   2.089   7.200
  352    HZ3  TRP  52           HZ3      TRP  52  20.015  -1.339   7.281
  353    HH2  TRP  52           HH2      TRP  52  18.653   0.350   8.479
  354    H    ASN  53           H        ASN  53  19.025  -0.892  -0.346
  355    HA   ASN  53           HA       ASN  53  18.498   0.643  -2.730
  356   1HB   ASN  53          2HB       ASN  53  18.464  -2.060  -2.014
  357   2HB   ASN  53          1HB       ASN  53  16.787  -1.690  -2.418
  358   1HD2  ASN  53          1HD2      ASN  53  16.615  -2.534  -4.534
  359   2HD2  ASN  53          2HD2      ASN  53  17.623  -2.077  -5.820
  360    H    ASP  54           H        ASP  54  16.095   0.592  -3.598
  361    HA   ASP  54           HA       ASP  54  14.328   1.622  -1.416
  362   1HB   ASP  54          2HB       ASP  54  15.131   2.774  -3.975
  363   2HB   ASP  54          1HB       ASP  54  13.386   2.759  -3.748
  364    H    ASP  55           H        ASP  55  11.970   1.354  -1.890
  365    HA   ASP  55           HA       ASP  55  11.472  -1.304  -3.018
  366   1HB   ASP  55          2HB       ASP  55   9.498   0.675  -1.915
  367   2HB   ASP  55          1HB       ASP  55   9.228  -1.044  -2.162
  368    H    ARG  56           H        ARG  56  10.906  -1.628  -5.115
  369    HA   ARG  56           HA       ARG  56   9.796   0.698  -6.631
  370   1HB   ARG  56          2HB       ARG  56  11.253  -1.657  -7.781
  371   2HB   ARG  56          1HB       ARG  56  10.860  -0.147  -8.586
  372   1HG   ARG  56          2HG       ARG  56  12.447   0.071  -6.086
  373   2HG   ARG  56          1HG       ARG  56  13.279  -0.624  -7.477
  374   1HD   ARG  56          2HD       ARG  56  12.270   1.403  -8.780
  375   2HD   ARG  56          1HD       ARG  56  12.067   2.115  -7.179
  376    HE   ARG  56           HE       ARG  56  14.738   1.144  -7.397
  377   1HH1  ARG  56          1HH1      ARG  56  13.677   2.650 -10.020
  378   2HH1  ARG  56          2HH1      ARG  56  14.465   4.172  -9.773
  379   1HH2  ARG  56          1HH2      ARG  56  15.310   3.498  -6.478
  380   2HH2  ARG  56          2HH2      ARG  56  15.390   4.652  -7.767
  381    H    CYS  57           H        CYS  57   7.749   0.370  -7.576
  382    HA   CYS  57           HA       CYS  57   6.414  -2.177  -7.065
  383   1HB   CYS  57          2HB       CYS  57   5.507   0.330  -8.504
  384   2HB   CYS  57          1HB       CYS  57   4.515  -1.117  -8.367
  385    H    THR  58           H        THR  58   5.563  -3.543  -8.784
  386    HA   THR  58           HA       THR  58   7.449  -3.797 -11.001
  387    HB   THR  58           HB       THR  58   6.431  -5.871 -11.428
  388    HG1  THR  58           HG1      THR  58   4.352  -6.005 -11.499
  389   1HG2  THR  58          1HG2      THR  58   7.342  -5.553  -9.035
  390   2HG2  THR  58          2HG2      THR  58   6.306  -6.950  -9.329
  391   3HG2  THR  58          3HG2      THR  58   5.650  -5.517  -8.538
  392    H    GLY  59           H        GLY  59   6.025  -4.505 -13.172
  393   1HA   GLY  59          2HA       GLY  59   4.733  -1.952 -13.919
  394   2HA   GLY  59          1HA       GLY  59   5.247  -3.215 -15.038
  395    H    GLN  60           H        GLN  60   3.495  -4.237 -12.235
  396    HA   GLN  60           HA       GLN  60   0.865  -4.073 -13.518
  397   1HB   GLN  60          2HB       GLN  60   1.153  -6.848 -12.910
  398   2HB   GLN  60          1HB       GLN  60   0.816  -6.108 -14.472
  399   1HG   GLN  60          2HG       GLN  60   3.093  -6.046 -15.072
  400   2HG   GLN  60          1HG       GLN  60   3.632  -6.224 -13.400
  401   1HE2  GLN  60          1HE2      GLN  60   4.874  -8.066 -14.777
  402   2HE2  GLN  60          2HE2      GLN  60   4.116  -9.584 -14.757
  403    H    SER  61           H        SER  61   2.421  -3.559 -10.874
  404    HA   SER  61           HA       SER  61   0.398  -4.891  -9.124
  405   1HB   SER  61          2HB       SER  61   3.295  -4.324  -8.653
  406   2HB   SER  61          1HB       SER  61   2.192  -4.555  -7.307
  407    HG   SER  61           HG       SER  61   3.151  -6.520  -7.951
  408    H    ALA  62           H        ALA  62  -0.237  -3.613  -7.212
  409    HA   ALA  62           HA       ALA  62   0.072  -0.672  -7.688
  410   1HB   ALA  62          1HB       ALA  62  -2.285  -2.138  -7.734
  411   2HB   ALA  62          2HB       ALA  62  -2.167  -0.395  -7.495
  412   3HB   ALA  62          3HB       ALA  62  -2.257  -1.471  -6.100
  413    H    ASP  63           H        ASP  63  -0.251  -3.242  -5.255
  414    HA   ASP  63           HA       ASP  63   0.210  -1.415  -3.039
  415   1HB   ASP  63          2HB       ASP  63   0.712  -4.346  -2.866
  416   2HB   ASP  63          1HB       ASP  63   0.054  -3.263  -1.648
  417    H    CYS  64           H        CYS  64   2.145  -2.243  -1.487
  418    HA   CYS  64           HA       CYS  64   4.583  -2.666  -3.126
  419   1HB   CYS  64          2HB       CYS  64   4.512  -0.281  -2.980
  420   2HB   CYS  64          1HB       CYS  64   4.064  -0.330  -1.277
  421    HA   PRO  65           HA       PRO  65   5.288  -5.300   0.328
  422   1HB   PRO  65          2HB       PRO  65   7.587  -6.364  -0.707
  423   2HB   PRO  65          1HB       PRO  65   5.977  -6.878  -1.207
  424   1HG   PRO  65          2HG       PRO  65   7.977  -5.230  -2.660
  425   2HG   PRO  65          1HG       PRO  65   6.642  -6.200  -3.305
  426   1HD   PRO  65          2HD       PRO  65   6.674  -3.379  -2.980
  427   2HD   PRO  65          1HD       PRO  65   5.266  -4.383  -3.386
  428    H    ARG  66           H        ARG  66   7.969  -5.931   1.055
  429    HA   ARG  66           HA       ARG  66   9.462  -3.461   1.420
  430   1HB   ARG  66          2HB       ARG  66   9.365  -3.543   3.906
  431   2HB   ARG  66          1HB       ARG  66   7.792  -3.192   3.187
  432   1HG   ARG  66          2HG       ARG  66   7.085  -4.883   4.548
  433   2HG   ARG  66          1HG       ARG  66   7.702  -5.908   3.253
  434   1HD   ARG  66          2HD       ARG  66   9.986  -5.684   4.513
  435   2HD   ARG  66          1HD       ARG  66   8.979  -5.224   5.887
  436    HE   ARG  66           HE       ARG  66   9.406  -7.860   5.246
  437   1HH1  ARG  66          1HH1      ARG  66   6.898  -5.892   6.293
  438   2HH1  ARG  66          2HH1      ARG  66   5.646  -7.071   6.077
  439   1HH2  ARG  66          1HH2      ARG  66   7.706  -9.346   4.461
  440   2HH2  ARG  66          2HH2      ARG  66   6.104  -9.028   5.041
  441    H    TYR  67           H        TYR  67  11.612  -3.893   2.106
  442    HA   TYR  67           HA       TYR  67  12.443  -6.423   3.158
  443   1HB   TYR  67          2HB       TYR  67  11.876  -7.218   0.918
  444   2HB   TYR  67          1HB       TYR  67  12.900  -5.971   0.223
  445    HD1  TYR  67           HD1      TYR  67  13.240  -8.495   2.978
  446    HD2  TYR  67           HD2      TYR  67  14.944  -6.756  -0.560
  447    HE1  TYR  67           HE1      TYR  67  15.208  -9.989   3.192
  448    HE2  TYR  67           HE2      TYR  67  16.912  -8.249  -0.348
  449    HH   TYR  67           HH       TYR  67  17.317 -10.606   0.775
  450    H    HIS  68           HN       HIS  68  13.425  -4.636   4.454
  451    HA   HIS  68           HA       HIS  68  15.665  -3.226   3.124
  452   1HB   HIS  68          2HB       HIS  68  15.865  -2.008   5.260
  453   2HB   HIS  68          1HB       HIS  68  14.209  -1.945   4.657
  454    HD1  HIS  68           HD1      HIS  68  16.241  -3.083   7.514
  455    HD2  HIS  68           HD2      HIS  68  12.407  -3.803   6.044
  456    HE1  HIS  68           HE1      HIS  68  14.954  -4.202   9.386
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  -7.497 -12.574  -2.980
    2   2H    GLY   1          2HT       GLY   1  -6.530 -13.924  -2.619
    3   3H    GLY   1          3HT       GLY   1  -6.006 -12.363  -2.200
    4   1HA   GLY   1          1HA       GLY   1  -7.573 -14.157  -0.699
    5   2HA   GLY   1          2HA       GLY   1  -6.935 -12.584  -0.221
    6    H    LYS   2           H        LYS   2  -8.301 -10.774  -0.326
    7    HA   LYS   2           HA       LYS   2 -11.167 -11.373  -0.445
    8   1HB   LYS   2          2HB       LYS   2 -11.405  -8.944   0.139
    9   2HB   LYS   2          1HB       LYS   2 -10.388  -9.836   1.271
   10   1HG   LYS   2          2HG       LYS   2  -8.644  -8.966  -0.751
   11   2HG   LYS   2          1HG       LYS   2  -9.694  -7.587  -0.423
   12   1HD   LYS   2          2HD       LYS   2  -9.134  -7.592   1.902
   13   2HD   LYS   2          1HD       LYS   2  -8.351  -9.168   1.779
   14   1HE   LYS   2          2HE       LYS   2  -6.636  -7.440   1.843
   15   2HE   LYS   2          1HE       LYS   2  -6.665  -8.157   0.233
   16   1HZ   LYS   2          1HZ       LYS   2  -6.936  -6.108  -0.534
   17   2HZ   LYS   2          2HZ       LYS   2  -7.196  -5.474   1.021
   18   3HZ   LYS   2          3HZ       LYS   2  -8.495  -6.120   0.137
   19    H    GLU   3           H        GLU   3 -12.632  -9.999  -1.796
   20    HA   GLU   3           HA       GLU   3 -11.402  -9.529  -4.478
   21   1HB   GLU   3          2HB       GLU   3 -13.736  -9.776  -5.326
   22   2HB   GLU   3          1HB       GLU   3 -13.168 -11.217  -4.479
   23   1HG   GLU   3          2HG       GLU   3 -14.390  -9.314  -2.645
   24   2HG   GLU   3          1HG       GLU   3 -15.507  -9.794  -3.922
   25    H    CYS   4           H        CYS   4 -10.892  -7.434  -2.880
   26    HA   CYS   4           HA       CYS   4 -12.901  -5.445  -3.770
   27   1HB   CYS   4          2HB       CYS   4 -12.923  -6.017  -1.245
   28   2HB   CYS   4          1HB       CYS   4 -11.448  -5.099  -1.213
   29    H    ASP   5           H        ASP   5 -11.600  -4.801  -5.530
   30    HA   ASP   5           HA       ASP   5  -8.789  -4.178  -5.253
   31   1HB   ASP   5          2HB       ASP   5 -10.358  -4.653  -7.386
   32   2HB   ASP   5          1HB       ASP   5 -10.378  -2.889  -7.412
   33    H    CYS   6           H        CYS   6 -11.466  -2.605  -4.058
   34    HA   CYS   6           HA       CYS   6  -9.957  -0.030  -3.973
   35   1HB   CYS   6          2HB       CYS   6 -12.297   1.060  -4.002
   36   2HB   CYS   6          1HB       CYS   6 -11.683   0.435  -5.532
   37    H    SER   7           H        SER   7 -10.728   1.361  -2.106
   38    HA   SER   7           HA       SER   7 -11.540  -0.395   0.176
   39   1HB   SER   7          2HB       SER   7 -10.174   0.911   1.611
   40   2HB   SER   7          1HB       SER   7  -9.200   0.681   0.163
   41    HG   SER   7           HG       SER   7  -9.843   2.943   1.254
   42    H    SER   8           H        SER   8 -12.382   2.330  -1.726
   43    HA   SER   8           HA       SER   8 -14.408   3.135   0.316
   44   1HB   SER   8          2HB       SER   8 -12.556   4.697  -1.168
   45   2HB   SER   8          1HB       SER   8 -14.170   5.087  -1.751
   46    HG   SER   8           HG       SER   8 -13.046   5.959   0.422
   47    HA   PRO   9           HA       PRO   9 -17.245   1.557  -2.730
   48   1HB   PRO   9          2HB       PRO   9 -19.518   2.082  -1.278
   49   2HB   PRO   9          1HB       PRO   9 -18.453   0.701  -0.961
   50   1HG   PRO   9          2HG       PRO   9 -18.758   3.228   0.589
   51   2HG   PRO   9          1HG       PRO   9 -18.217   1.634   1.139
   52   1HD   PRO   9          2HD       PRO   9 -16.553   3.861   0.560
   53   2HD   PRO   9          1HD       PRO   9 -16.015   2.189   0.835
   54    H    GLU  10           H        GLU  10 -16.527   4.684  -2.192
   55    HA   GLU  10           HA       GLU  10 -18.848   5.691  -3.793
   56   1HB   GLU  10          2HB       GLU  10 -17.417   6.789  -1.454
   57   2HB   GLU  10          1HB       GLU  10 -17.695   7.949  -2.753
   58   1HG   GLU  10          2HG       GLU  10 -20.041   6.283  -2.238
   59   2HG   GLU  10          1HG       GLU  10 -19.548   7.201  -0.816
   60    H    ASN  11           H        ASN  11 -15.504   5.084  -3.769
   61    HA   ASN  11           HA       ASN  11 -14.501   7.182  -5.395
   62   1HB   ASN  11          2HB       ASN  11 -13.504   4.801  -4.311
   63   2HB   ASN  11          1HB       ASN  11 -13.325   4.605  -6.054
   64   1HD2  ASN  11          1HD2      ASN  11 -10.906   4.792  -5.171
   65   2HD2  ASN  11          2HD2      ASN  11 -10.253   6.358  -5.183
   66    HA   PRO  12           HA       PRO  12 -16.310   6.339  -9.308
   67   1HB   PRO  12          2HB       PRO  12 -14.390   7.477 -10.915
   68   2HB   PRO  12          1HB       PRO  12 -15.550   8.416  -9.960
   69   1HG   PRO  12          2HG       PRO  12 -12.647   7.953  -9.458
   70   2HG   PRO  12          1HG       PRO  12 -13.668   9.313  -8.964
   71   1HD   PRO  12          2HD       PRO  12 -12.849   7.174  -7.304
   72   2HD   PRO  12          1HD       PRO  12 -14.134   8.345  -6.936
   73    H    CYS  13           H        CYS  13 -13.038   5.271  -8.622
   74    HA   CYS  13           HA       CYS  13 -13.082   3.432 -10.953
   75   1HB   CYS  13          2HB       CYS  13 -11.021   4.781  -9.482
   76   2HB   CYS  13          1HB       CYS  13 -10.757   3.041  -9.379
   77    H    CYS  14           H        CYS  14 -14.573   3.293  -8.179
   78    HA   CYS  14           HA       CYS  14 -13.745   0.470  -7.626
   79   1HB   CYS  14          2HB       CYS  14 -13.297   1.812  -5.671
   80   2HB   CYS  14          1HB       CYS  14 -14.893   2.556  -5.756
   81    H    ASP  15           H        ASP  15 -15.463  -0.985  -7.074
   82    HA   ASP  15           HA       ASP  15 -18.158  -0.111  -8.002
   83   1HB   ASP  15          2HB       ASP  15 -16.561  -1.738  -9.477
   84   2HB   ASP  15          1HB       ASP  15 -17.401  -2.913  -8.475
   85    H    ALA  16           H        ALA  16 -19.160  -0.051  -6.021
   86    HA   ALA  16           HA       ALA  16 -18.598  -1.808  -3.847
   87   1HB   ALA  16          1HB       ALA  16 -19.912   0.471  -3.941
   88   2HB   ALA  16          2HB       ALA  16 -20.349  -0.742  -2.737
   89   3HB   ALA  16          3HB       ALA  16 -21.308  -0.571  -4.208
   90    H    ALA  17           H        ALA  17 -20.460  -2.226  -6.724
   91    HA   ALA  17           HA       ALA  17 -22.358  -4.153  -5.844
   92   1HB   ALA  17          1HB       ALA  17 -22.581  -3.283  -8.067
   93   2HB   ALA  17          2HB       ALA  17 -22.197  -4.994  -8.249
   94   3HB   ALA  17          3HB       ALA  17 -20.943  -3.779  -8.495
   95    H    THR  18           H        THR  18 -18.934  -4.314  -6.205
   96    HA   THR  18           HA       THR  18 -18.957  -7.072  -5.197
   97    HB   THR  18           HB       THR  18 -18.970  -7.680  -7.473
   98    HG1  THR  18           HG1      THR  18 -17.276  -8.791  -6.880
   99   1HG2  THR  18          1HG2      THR  18 -18.651  -5.273  -8.232
  100   2HG2  THR  18          2HG2      THR  18 -17.854  -6.493  -9.227
  101   3HG2  THR  18          3HG2      THR  18 -16.915  -5.544  -8.073
  102    H    CYS  19           H        CYS  19 -17.868  -4.138  -4.696
  103    HA   CYS  19           HA       CYS  19 -15.958  -3.300  -3.555
  104   1HB   CYS  19          2HB       CYS  19 -16.283  -5.948  -2.753
  105   2HB   CYS  19          1HB       CYS  19 -14.586  -5.799  -3.180
  106    H    LYS  20           H        LYS  20 -15.857  -4.610  -6.567
  107    HA   LYS  20           HA       LYS  20 -12.892  -4.280  -6.734
  108   1HB   LYS  20          2HB       LYS  20 -14.826  -5.973  -8.283
  109   2HB   LYS  20          1HB       LYS  20 -13.287  -5.502  -9.006
  110   1HG   LYS  20          2HG       LYS  20 -12.492  -6.309  -6.502
  111   2HG   LYS  20          1HG       LYS  20 -13.827  -7.417  -6.826
  112   1HD   LYS  20          2HD       LYS  20 -12.367  -7.260  -9.233
  113   2HD   LYS  20          1HD       LYS  20 -11.163  -7.407  -7.952
  114   1HE   LYS  20          2HE       LYS  20 -12.881  -9.254  -7.070
  115   2HE   LYS  20          1HE       LYS  20 -13.292  -9.327  -8.784
  116   1HZ   LYS  20          1HZ       LYS  20 -10.458  -9.281  -8.154
  117   2HZ   LYS  20          2HZ       LYS  20 -11.301 -10.184  -9.321
  118   3HZ   LYS  20          3HZ       LYS  20 -11.287 -10.688  -7.698
  119    H    LEU  21           H        LEU  21 -12.064  -3.330  -8.742
  120    HA   LEU  21           HA       LEU  21 -12.792  -0.756  -9.268
  121   1HB   LEU  21          2HB       LEU  21 -11.669  -2.867 -11.096
  122   2HB   LEU  21          1HB       LEU  21 -11.983  -1.241 -11.700
  123    HG   LEU  21           HG       LEU  21 -10.413  -1.674  -9.164
  124   1HD1  LEU  21          1HD1      LEU  21  -8.553  -2.309 -10.286
  125   2HD1  LEU  21          2HD1      LEU  21  -8.821  -1.108 -11.550
  126   3HD1  LEU  21          3HD1      LEU  21  -9.621  -2.678 -11.640
  127   1HD2  LEU  21          1HD2      LEU  21 -11.261   0.552 -10.806
  128   2HD2  LEU  21          2HD2      LEU  21  -9.502   0.505 -10.699
  129   3HD2  LEU  21          3HD2      LEU  21 -10.473   0.574  -9.228
  130    H    ARG  22           H        ARG  22 -14.466   0.298 -10.226
  131    HA   ARG  22           HA       ARG  22 -16.701  -1.288 -11.269
  132   1HB   ARG  22          2HB       ARG  22 -17.451   0.518  -9.970
  133   2HB   ARG  22          1HB       ARG  22 -16.281   1.634 -10.663
  134   1HG   ARG  22          2HG       ARG  22 -18.104   0.460 -12.649
  135   2HG   ARG  22          1HG       ARG  22 -18.921   1.439 -11.431
  136   1HD   ARG  22          2HD       ARG  22 -17.710   3.374 -11.993
  137   2HD   ARG  22          1HD       ARG  22 -16.435   2.456 -12.794
  138    HE   ARG  22           HE       ARG  22 -18.333   1.888 -14.500
  139   1HH1  ARG  22          1HH1      ARG  22 -17.190   4.858 -13.406
  140   2HH1  ARG  22          2HH1      ARG  22 -18.386   5.812 -14.220
  141   1HH2  ARG  22          1HH2      ARG  22 -20.256   3.076 -15.239
  142   2HH2  ARG  22          2HH2      ARG  22 -20.122   4.801 -15.258
  143    HA   PRO  23           HA       PRO  23 -15.372   0.973 -15.259
  144   1HB   PRO  23          2HB       PRO  23 -12.959   2.280 -15.247
  145   2HB   PRO  23          1HB       PRO  23 -14.491   3.057 -14.814
  146   1HG   PRO  23          2HG       PRO  23 -12.257   2.210 -13.044
  147   2HG   PRO  23          1HG       PRO  23 -13.494   3.448 -12.775
  148   1HD   PRO  23          2HD       PRO  23 -13.456   0.822 -11.680
  149   2HD   PRO  23          1HD       PRO  23 -14.793   1.987 -11.596
  150    H    GLY  24           H        GLY  24 -12.927   0.967 -16.631
  151   1HA   GLY  24          2HA       GLY  24 -12.149  -1.892 -16.374
  152   2HA   GLY  24          1HA       GLY  24 -11.890  -0.888 -17.800
  153    H    ALA  25           H        ALA  25 -11.163   0.696 -14.872
  154    HA   ALA  25           HA       ALA  25  -8.427   1.091 -15.530
  155   1HB   ALA  25          1HB       ALA  25  -9.699   2.574 -14.009
  156   2HB   ALA  25          2HB       ALA  25  -8.209   2.003 -13.257
  157   3HB   ALA  25          3HB       ALA  25  -9.755   1.281 -12.810
  158    H    GLN  26           H        GLN  26  -6.550   0.343 -14.182
  159    HA   GLN  26           HA       GLN  26  -6.763  -2.563 -13.745
  160   1HB   GLN  26          2HB       GLN  26  -4.627  -0.650 -14.321
  161   2HB   GLN  26          1HB       GLN  26  -4.171  -1.882 -13.147
  162   1HG   GLN  26          2HG       GLN  26  -3.756  -3.159 -14.987
  163   2HG   GLN  26          1HG       GLN  26  -5.504  -3.373 -15.014
  164   1HE2  GLN  26          1HE2      GLN  26  -5.824  -3.377 -17.299
  165   2HE2  GLN  26          2HE2      GLN  26  -5.457  -2.047 -18.287
  166    H    CYS  27           H        CYS  27  -6.976   0.271 -11.906
  167    HA   CYS  27           HA       CYS  27  -7.235  -1.176  -9.441
  168   1HB   CYS  27          2HB       CYS  27  -5.294  -0.083  -8.268
  169   2HB   CYS  27          1HB       CYS  27  -4.816  -1.278  -9.474
  170    H    GLY  28           H        GLY  28  -7.949   0.238  -7.709
  171   1HA   GLY  28          2HA       GLY  28  -8.919   2.856  -8.749
  172   2HA   GLY  28          1HA       GLY  28  -9.640   1.973  -7.405
  173    H    GLU  29           H        GLU  29  -6.609   1.506  -6.634
  174    HA   GLU  29           HA       GLU  29  -5.524   4.035  -5.919
  175   1HB   GLU  29          2HB       GLU  29  -6.134   4.069  -3.502
  176   2HB   GLU  29          1HB       GLU  29  -7.528   4.304  -4.553
  177   1HG   GLU  29          2HG       GLU  29  -8.487   2.612  -3.399
  178   2HG   GLU  29          1HG       GLU  29  -7.407   1.551  -4.302
  179    H    GLY  30           H        GLY  30  -3.461   3.699  -5.154
  180   1HA   GLY  30          2HA       GLY  30  -2.644   1.580  -3.453
  181   2HA   GLY  30          1HA       GLY  30  -2.350   1.080  -5.118
  182    H    LEU  31           H        LEU  31  -0.154   1.347  -3.542
  183    HA   LEU  31           HA       LEU  31   0.984   4.005  -3.592
  184   1HB   LEU  31          2HB       LEU  31   1.754   1.369  -2.701
  185   2HB   LEU  31          1HB       LEU  31   3.093   2.182  -3.494
  186    HG   LEU  31           HG       LEU  31   2.857   2.592  -0.985
  187   1HD1  LEU  31          1HD1      LEU  31   3.838   4.154  -2.960
  188   2HD1  LEU  31          2HD1      LEU  31   3.870   4.631  -1.263
  189   3HD1  LEU  31          3HD1      LEU  31   2.597   5.234  -2.324
  190   1HD2  LEU  31          1HD2      LEU  31   0.661   4.491  -1.816
  191   2HD2  LEU  31          2HD2      LEU  31   1.119   3.988  -0.189
  192   3HD2  LEU  31          3HD2      LEU  31   0.294   2.857  -1.262
  193    H    CYS  32           H        CYS  32   1.343   1.110  -5.613
  194    HA   CYS  32           HA       CYS  32   2.930   2.713  -7.554
  195   1HB   CYS  32          2HB       CYS  32   2.531  -0.103  -8.239
  196   2HB   CYS  32          1HB       CYS  32   4.030   0.804  -8.078
  197    H    CYS  33           H        CYS  33   0.367   3.544  -7.609
  198    HA   CYS  33           HA       CYS  33  -0.603   2.418 -10.180
  199   1HB   CYS  33          2HB       CYS  33  -1.950   2.179  -7.603
  200   2HB   CYS  33          1HB       CYS  33  -2.952   2.996  -8.801
  201    H    GLU  34           H        GLU  34  -1.059   4.041 -11.577
  202    HA   GLU  34           HA       GLU  34  -1.029   6.816 -10.595
  203   1HB   GLU  34          2HB       GLU  34  -1.683   6.495 -13.410
  204   2HB   GLU  34          1HB       GLU  34  -0.348   7.369 -12.672
  205   1HG   GLU  34          2HG       GLU  34   0.748   5.083 -12.301
  206   2HG   GLU  34          1HG       GLU  34  -0.478   4.435 -13.392
  207    H    GLN  35           H        GLN  35  -2.775   7.896 -12.587
  208    HA   GLN  35           HA       GLN  35  -5.238   7.887 -11.193
  209   1HB   GLN  35          2HB       GLN  35  -4.182   9.031 -13.644
  210   2HB   GLN  35          1HB       GLN  35  -5.858   8.522 -13.853
  211   1HG   GLN  35          2HG       GLN  35  -4.969  10.132 -11.456
  212   2HG   GLN  35          1HG       GLN  35  -5.481  10.901 -12.959
  213   1HE2  GLN  35          1HE2      GLN  35  -6.930  11.104 -10.420
  214   2HE2  GLN  35          2HE2      GLN  35  -8.450  10.387 -10.656
  215    H    CYS  36           H        CYS  36  -5.853   5.686 -10.851
  216    HA   CYS  36           HA       CYS  36  -7.003   3.711 -11.368
  217   1HB   CYS  36          2HB       CYS  36  -7.855   5.537 -13.618
  218   2HB   CYS  36          1HB       CYS  36  -8.470   3.893 -13.466
  219    H    LYS  37           H        LYS  37  -4.315   3.579 -12.025
  220    HA   LYS  37           HA       LYS  37  -4.397   1.619 -14.192
  221   1HB   LYS  37          2HB       LYS  37  -3.152   4.326 -14.565
  222   2HB   LYS  37          1HB       LYS  37  -2.427   2.922 -15.350
  223   1HG   LYS  37          2HG       LYS  37  -5.097   2.553 -15.892
  224   2HG   LYS  37          1HG       LYS  37  -4.952   4.310 -15.954
  225   1HD   LYS  37          2HD       LYS  37  -4.232   3.965 -18.082
  226   2HD   LYS  37          1HD       LYS  37  -2.704   3.529 -17.316
  227   1HE   LYS  37          2HE       LYS  37  -3.044   1.261 -17.602
  228   2HE   LYS  37          1HE       LYS  37  -4.800   1.412 -17.552
  229   1HZ   LYS  37          1HZ       LYS  37  -4.312   0.972 -19.772
  230   2HZ   LYS  37          2HZ       LYS  37  -2.965   2.007 -19.790
  231   3HZ   LYS  37          3HZ       LYS  37  -4.535   2.653 -19.740
  232    H    PHE  38           H        PHE  38  -2.306   0.460 -14.380
  233    HA   PHE  38           HA       PHE  38  -0.984   0.277 -11.771
  234   1HB   PHE  38          2HB       PHE  38  -0.743  -1.207 -14.384
  235   2HB   PHE  38          1HB       PHE  38   0.462  -1.426 -13.118
  236    HD1  PHE  38           HD1      PHE  38  -1.975  -3.216 -14.382
  237    HD2  PHE  38           HD2      PHE  38  -1.192  -1.203 -10.670
  238    HE1  PHE  38           HE1      PHE  38  -3.487  -4.792 -13.210
  239    HE2  PHE  38           HE2      PHE  38  -2.708  -2.777  -9.498
  240    HZ   PHE  38           HZ       PHE  38  -3.856  -4.572 -10.766
  241    H    SER  39           H        SER  39   0.681   1.618 -11.247
  242    HA   SER  39           HA       SER  39   1.973   3.378 -13.043
  243   1HB   SER  39          2HB       SER  39   2.629   2.338 -10.330
  244   2HB   SER  39          1HB       SER  39   3.859   3.235 -11.204
  245    HG   SER  39           HG       SER  39   2.388   4.497  -9.846
  246    H    ARG  40           H        ARG  40   4.579   3.172 -13.208
  247    HA   ARG  40           HA       ARG  40   4.992   0.652 -14.663
  248   1HB   ARG  40          2HB       ARG  40   7.159   1.802 -15.357
  249   2HB   ARG  40          1HB       ARG  40   5.675   2.589 -15.890
  250   1HG   ARG  40          2HG       ARG  40   6.047   4.421 -14.606
  251   2HG   ARG  40          1HG       ARG  40   6.583   3.456 -13.231
  252   1HD   ARG  40          2HD       ARG  40   8.645   4.272 -13.729
  253   2HD   ARG  40          1HD       ARG  40   8.632   3.061 -15.010
  254    HE   ARG  40           HE       ARG  40   7.344   5.386 -16.009
  255   1HH1  ARG  40          1HH1      ARG  40  10.348   3.836 -15.576
  256   2HH1  ARG  40          2HH1      ARG  40  11.280   5.112 -16.288
  257   1HH2  ARG  40          1HH2      ARG  40   8.573   7.247 -16.652
  258   2HH2  ARG  40          2HH2      ARG  40  10.275   7.042 -16.897
  259    H    ALA  41           H        ALA  41   6.634  -0.831 -14.109
  260    HA   ALA  41           HA       ALA  41   7.215  -1.261 -11.405
  261   1HB   ALA  41          1HB       ALA  41   9.173  -2.651 -12.303
  262   2HB   ALA  41          2HB       ALA  41   8.681  -2.115 -13.909
  263   3HB   ALA  41          3HB       ALA  41   7.577  -3.071 -12.922
  264    H    GLY  42           H        GLY  42   9.869  -1.473 -10.900
  265   1HA   GLY  42          2HA       GLY  42  11.634  -0.131 -10.103
  266   2HA   GLY  42          1HA       GLY  42  11.568   0.622 -11.698
  267    H    LYS  43           H        LYS  43   8.733   0.637  -9.685
  268    HA   LYS  43           HA       LYS  43   8.886   3.577  -9.567
  269   1HB   LYS  43          2HB       LYS  43   6.743   2.970 -10.232
  270   2HB   LYS  43          1HB       LYS  43   6.722   1.541  -9.207
  271   1HG   LYS  43          2HG       LYS  43   5.205   3.277  -8.321
  272   2HG   LYS  43          1HG       LYS  43   6.532   2.979  -7.204
  273   1HD   LYS  43          2HD       LYS  43   6.734   5.255  -7.254
  274   2HD   LYS  43          1HD       LYS  43   7.631   4.932  -8.738
  275   1HE   LYS  43          2HE       LYS  43   6.020   6.583  -9.331
  276   2HE   LYS  43          1HE       LYS  43   5.374   5.063  -9.949
  277   1HZ   LYS  43          1HZ       LYS  43   4.593   5.504  -7.250
  278   2HZ   LYS  43          2HZ       LYS  43   3.626   5.223  -8.619
  279   3HZ   LYS  43          3HZ       LYS  43   4.121   6.802  -8.233
  280    H    ILE  44           H        ILE  44   9.426   4.674  -7.731
  281    HA   ILE  44           HA       ILE  44  10.217   3.160  -5.366
  282    HB   ILE  44           HB       ILE  44  11.579   5.038  -5.845
  283   1HG1  ILE  44          2HG1      ILE  44  11.135   6.624  -3.928
  284   2HG1  ILE  44          1HG1      ILE  44   9.629   5.757  -3.635
  285   1HG2  ILE  44          1HG2      ILE  44  10.054   7.333  -5.741
  286   2HG2  ILE  44          2HG2      ILE  44   9.002   6.208  -6.601
  287   3HG2  ILE  44          3HG2      ILE  44  10.619   6.551  -7.217
  288   1HD1  ILE  44          1HD1      ILE  44  12.231   5.071  -2.725
  289   2HD1  ILE  44          2HD1      ILE  44  11.758   3.849  -3.907
  290   3HD1  ILE  44          3HD1      ILE  44  10.736   4.162  -2.503
  291    H    CYS  45           H        CYS  45   8.378   2.250  -4.509
  292    HA   CYS  45           HA       CYS  45   5.989   3.853  -3.917
  293   1HB   CYS  45          2HB       CYS  45   5.284   1.681  -2.754
  294   2HB   CYS  45          1HB       CYS  45   5.533   1.599  -4.491
  295    H    ARG  46           H        ARG  46   8.931   2.983  -2.329
  296    HA   ARG  46           HA       ARG  46   8.222   4.620  -0.027
  297   1HB   ARG  46          2HB       ARG  46   7.415   1.979   0.141
  298   2HB   ARG  46          1HB       ARG  46   8.980   1.960   0.953
  299   1HG   ARG  46          2HG       ARG  46   7.733   2.624   2.752
  300   2HG   ARG  46          1HG       ARG  46   7.938   4.217   2.024
  301   1HD   ARG  46          2HD       ARG  46   5.777   3.260   0.638
  302   2HD   ARG  46          1HD       ARG  46   5.520   2.542   2.227
  303    HE   ARG  46           HE       ARG  46   6.187   5.323   2.510
  304   1HH1  ARG  46          1HH2      ARG  46   3.849   3.998   0.522
  305   2HH1  ARG  46          2HH2      ARG  46   2.494   4.711   1.333
  306   1HH2  ARG  46          1HH1      ARG  46   4.372   5.894   3.997
  307   2HH2  ARG  46          2HH1      ARG  46   2.790   5.783   3.300
  308    H    ILE  47           H        ILE  47  10.097   5.616   0.510
  309    HA   ILE  47           HA       ILE  47  12.634   4.787  -0.566
  310    HB   ILE  47           HB       ILE  47  12.215   7.134  -0.050
  311   1HG1  ILE  47          2HG1      ILE  47  14.236   7.599   1.336
  312   2HG1  ILE  47          1HG1      ILE  47  14.302   5.889   1.768
  313   1HG2  ILE  47          1HG2      ILE  47  12.050   7.846   2.343
  314   2HG2  ILE  47          2HG2      ILE  47  11.958   6.146   2.806
  315   3HG2  ILE  47          3HG2      ILE  47  10.681   6.864   1.824
  316   1HD1  ILE  47          1HD1      ILE  47  14.612   7.100  -0.990
  317   2HD1  ILE  47          2HD1      ILE  47  14.402   5.370  -0.711
  318   3HD1  ILE  47          3HD1      ILE  47  15.820   6.201  -0.071
  319    H    ALA  48           H        ALA  48  14.490   4.009   0.659
  320    HA   ALA  48           HA       ALA  48  13.774   1.953   2.554
  321   1HB   ALA  48          1HB       ALA  48  15.709   1.132   1.761
  322   2HB   ALA  48          2HB       ALA  48  16.568   2.380   2.664
  323   3HB   ALA  48          3HB       ALA  48  16.084   2.675   0.993
  324    H    ARG  49           H        ARG  49  15.899   2.070   4.383
  325    HA   ARG  49           HA       ARG  49  15.459   4.579   5.897
  326   1HB   ARG  49          2HB       ARG  49  15.336   1.844   7.109
  327   2HB   ARG  49          1HB       ARG  49  15.004   3.368   7.922
  328   1HG   ARG  49          2HG       ARG  49  13.418   2.636   5.483
  329   2HG   ARG  49          1HG       ARG  49  13.012   1.885   7.025
  330   1HD   ARG  49          2HD       ARG  49  13.399   4.857   6.902
  331   2HD   ARG  49          1HD       ARG  49  11.876   4.162   6.348
  332    HE   ARG  49           HE       ARG  49  11.933   3.012   8.718
  333   1HH1  ARG  49          1HH1      ARG  49  10.546   5.593   8.735
  334   2HH1  ARG  49          2HH1      ARG  49  11.419   6.509   9.917
  335   1HH2  ARG  49          1HH2      ARG  49  14.186   4.418   9.881
  336   2HH2  ARG  49          2HH2      ARG  49  13.480   5.843  10.566
  337    H    GLY  50           H        GLY  50  17.152   1.494   6.042
  338   1HA   GLY  50          2HA       GLY  50  19.420   2.593   7.454
  339   2HA   GLY  50          1HA       GLY  50  19.326   0.973   6.771
  340    H    ASP  51           H        ASP  51  18.466   3.050   4.346
  341    HA   ASP  51           HA       ASP  51  19.644   4.123   2.604
  342   1HB   ASP  51          2HB       ASP  51  21.467   4.292   4.701
  343   2HB   ASP  51          1HB       ASP  51  22.352   3.481   3.412
  344    H    TRP  52           H        TRP  52  19.277   2.794   0.918
  345    HA   TRP  52           HA       TRP  52  21.234   1.137  -0.189
  346   1HB   TRP  52          2HB       TRP  52  19.808  -1.101   0.279
  347   2HB   TRP  52          1HB       TRP  52  21.164  -0.617   1.286
  348    HD1  TRP  52           HD1      TRP  52  17.649   0.950   1.359
  349    HE1  TRP  52           HE1      TRP  52  16.660   0.596   3.707
  350    HE3  TRP  52           HE3      TRP  52  21.310  -1.915   3.431
  351    HZ2  TRP  52           HZ2      TRP  52  17.338  -0.718   6.157
  352    HZ3  TRP  52           HZ3      TRP  52  21.124  -2.708   5.772
  353    HH2  TRP  52           HH2      TRP  52  19.141  -2.112   7.139
  354    H    ASN  53           H        ASN  53  19.624  -0.814  -1.485
  355    HA   ASN  53           HA       ASN  53  18.409   0.740  -3.514
  356   1HB   ASN  53          2HB       ASN  53  18.558  -2.110  -2.806
  357   2HB   ASN  53          1HB       ASN  53  17.084  -1.675  -3.672
  358   1HD2  ASN  53          1HD2      ASN  53  17.420  -0.434  -5.777
  359   2HD2  ASN  53          2HD2      ASN  53  18.826  -0.747  -6.677
  360    H    ASP  54           H        ASP  54  16.611   1.962  -3.366
  361    HA   ASP  54           HA       ASP  54  14.778   1.893  -1.177
  362   1HB   ASP  54          2HB       ASP  54  13.304   3.232  -2.828
  363   2HB   ASP  54          1HB       ASP  54  14.867   3.922  -2.387
  364    H    ASP  55           H        ASP  55  12.265   1.718  -1.850
  365    HA   ASP  55           HA       ASP  55  11.936  -1.090  -2.696
  366   1HB   ASP  55          2HB       ASP  55  10.622   0.630  -0.866
  367   2HB   ASP  55          1HB       ASP  55   9.452   0.205  -2.111
  368    H    ARG  56           H        ARG  56  11.545  -1.517  -4.800
  369    HA   ARG  56           HA       ARG  56  10.306   0.598  -6.490
  370   1HB   ARG  56          2HB       ARG  56  11.764  -1.894  -7.321
  371   2HB   ARG  56          1HB       ARG  56  11.248  -0.590  -8.378
  372   1HG   ARG  56          2HG       ARG  56  12.942   0.166  -6.052
  373   2HG   ARG  56          1HG       ARG  56  13.738  -0.716  -7.356
  374   1HD   ARG  56          2HD       ARG  56  12.109   1.210  -8.619
  375   2HD   ARG  56          1HD       ARG  56  12.901   2.050  -7.286
  376    HE   ARG  56           HE       ARG  56  14.813   0.446  -8.714
  377   1HH1  ARG  56          1HH1      ARG  56  14.242   3.544  -7.864
  378   2HH1  ARG  56          2HH1      ARG  56  14.757   4.279  -9.346
  379   1HH2  ARG  56          1HH2      ARG  56  14.908   1.284 -11.088
  380   2HH2  ARG  56          2HH2      ARG  56  15.134   2.999 -11.171
  381    H    CYS  57           H        CYS  57   8.510   0.029  -7.854
  382    HA   CYS  57           HA       CYS  57   7.038  -2.383  -6.894
  383   1HB   CYS  57          2HB       CYS  57   6.151   0.219  -8.123
  384   2HB   CYS  57          1HB       CYS  57   5.106  -1.197  -8.164
  385    H    THR  58           H        THR  58   5.587  -3.310  -8.734
  386    HA   THR  58           HA       THR  58   7.371  -3.903 -11.009
  387    HB   THR  58           HB       THR  58   5.943  -5.749 -11.450
  388    HG1  THR  58           HG1      THR  58   3.860  -5.851 -10.650
  389   1HG2  THR  58          1HG2      THR  58   6.211  -5.147  -8.512
  390   2HG2  THR  58          2HG2      THR  58   7.113  -6.305  -9.489
  391   3HG2  THR  58          3HG2      THR  58   5.436  -6.635  -9.057
  392    H    GLY  59           H        GLY  59   5.744  -4.294 -13.118
  393   1HA   GLY  59          2HA       GLY  59   4.778  -1.546 -13.674
  394   2HA   GLY  59          1HA       GLY  59   5.123  -2.778 -14.887
  395    H    GLN  60           H        GLN  60   3.417  -4.154 -12.340
  396    HA   GLN  60           HA       GLN  60   0.756  -3.484 -13.477
  397   1HB   GLN  60          2HB       GLN  60   1.947  -6.265 -13.330
  398   2HB   GLN  60          1HB       GLN  60   0.219  -5.967 -13.518
  399   1HG   GLN  60          2HG       GLN  60   1.974  -4.478 -15.384
  400   2HG   GLN  60          1HG       GLN  60   1.927  -6.224 -15.616
  401   1HE2  GLN  60          1HE2      GLN  60   0.625  -3.819 -17.130
  402   2HE2  GLN  60          2HE2      GLN  60  -0.995  -4.300 -17.293
  403    H    SER  61           H        SER  61   2.392  -3.262 -10.846
  404    HA   SER  61           HA       SER  61   0.457  -4.685  -9.071
  405   1HB   SER  61          2HB       SER  61   2.993  -4.998  -8.801
  406   2HB   SER  61          1HB       SER  61   3.022  -3.341  -8.205
  407    HG   SER  61           HG       SER  61   2.659  -4.455  -6.402
  408    H    ALA  62           H        ALA  62  -0.589  -3.495  -7.384
  409    HA   ALA  62           HA       ALA  62  -0.673  -0.549  -7.889
  410   1HB   ALA  62          1HB       ALA  62  -2.737  -2.500  -6.866
  411   2HB   ALA  62          2HB       ALA  62  -2.851  -1.408  -8.245
  412   3HB   ALA  62          3HB       ALA  62  -2.905  -0.765  -6.604
  413    H    ASP  63           H        ASP  63  -0.115  -3.027  -5.488
  414    HA   ASP  63           HA       ASP  63   0.166  -0.923  -3.392
  415   1HB   ASP  63          2HB       ASP  63   0.267  -3.867  -2.877
  416   2HB   ASP  63          1HB       ASP  63  -0.167  -2.575  -1.767
  417    H    CYS  64           H        CYS  64   2.037  -1.525  -1.789
  418    HA   CYS  64           HA       CYS  64   4.396  -2.388  -3.410
  419   1HB   CYS  64          2HB       CYS  64   4.502   0.015  -3.119
  420   2HB   CYS  64          1HB       CYS  64   4.197  -0.137  -1.391
  421    HA   PRO  65           HA       PRO  65   4.876  -5.234  -0.088
  422   1HB   PRO  65          2HB       PRO  65   7.110  -6.402  -1.149
  423   2HB   PRO  65          1HB       PRO  65   5.476  -6.773  -1.698
  424   1HG   PRO  65          2HG       PRO  65   7.613  -5.196  -3.031
  425   2HG   PRO  65          1HG       PRO  65   6.226  -6.036  -3.747
  426   1HD   PRO  65          2HD       PRO  65   6.445  -3.245  -3.277
  427   2HD   PRO  65          1HD       PRO  65   4.977  -4.128  -3.747
  428    H    ARG  66           H        ARG  66   5.846  -4.717   1.852
  429    HA   ARG  66           HA       ARG  66   7.926  -2.758   2.060
  430   1HB   ARG  66          2HB       ARG  66   6.491  -4.574   3.932
  431   2HB   ARG  66          1HB       ARG  66   8.044  -3.936   4.471
  432   1HG   ARG  66          2HG       ARG  66   7.197  -1.631   3.802
  433   2HG   ARG  66          1HG       ARG  66   5.604  -2.366   3.608
  434   1HD   ARG  66          2HD       ARG  66   5.766  -1.424   5.848
  435   2HD   ARG  66          1HD       ARG  66   5.745  -3.183   5.968
  436    HE   ARG  66           HE       ARG  66   8.446  -2.535   5.862
  437   1HH1  ARG  66          1HH1      ARG  66   6.667  -3.554   8.237
  438   2HH1  ARG  66          2HH1      ARG  66   7.168  -2.444   9.468
  439   1HH2  ARG  66          1HH2      ARG  66   8.700  -0.264   7.249
  440   2HH2  ARG  66          2HH2      ARG  66   8.318  -0.581   8.909
  441    H    TYR  67           H        TYR  67   9.697  -3.508   0.771
  442    HA   TYR  67           HA       TYR  67  10.881  -6.091   1.011
  443   1HB   TYR  67          2HB       TYR  67  11.367  -3.750  -0.472
  444   2HB   TYR  67          1HB       TYR  67  12.847  -4.067   0.430
  445    HD1  TYR  67           HD1      TYR  67  12.648  -7.064   0.646
  446    HD2  TYR  67           HD2      TYR  67  12.004  -4.413  -2.672
  447    HE1  TYR  67           HE1      TYR  67  13.225  -8.893  -0.926
  448    HE2  TYR  67           HE2      TYR  67  12.580  -6.243  -4.244
  449    HH   TYR  67           HH       TYR  67  12.494  -8.876  -4.113
  450    H    HIS  68           HN       HIS  68  11.010  -3.293   3.043
  451    HA   HIS  68           HA       HIS  68  12.723  -4.771   4.938
  452   1HB   HIS  68          2HB       HIS  68  14.357  -3.526   3.594
  453   2HB   HIS  68          1HB       HIS  68  13.467  -2.028   3.870
  454    HD1  HIS  68           HD1      HIS  68  14.201  -0.700   5.854
  455    HD2  HIS  68           HD2      HIS  68  15.278  -4.712   6.208
  456    HE1  HIS  68           HE1      HIS  68  15.558  -0.893   7.985
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1 -13.171 -14.980  -2.036
    2   2H    GLY   1          2HT       GLY   1 -12.930 -16.097  -3.294
    3   3H    GLY   1          3HT       GLY   1 -14.491 -15.829  -2.679
    4   1HA   GLY   1          1HA       GLY   1 -12.971 -14.302  -4.613
    5   2HA   GLY   1          2HA       GLY   1 -14.716 -14.470  -4.429
    6    H    LYS   2           H        LYS   2 -12.045 -12.437  -3.863
    7    HA   LYS   2           HA       LYS   2 -13.000 -10.952  -1.600
    8   1HB   LYS   2          2HB       LYS   2 -10.672 -10.796  -2.442
    9   2HB   LYS   2          1HB       LYS   2 -11.267 -10.007  -3.904
   10   1HG   LYS   2          2HG       LYS   2 -12.310  -8.248  -2.410
   11   2HG   LYS   2          1HG       LYS   2 -11.428  -8.972  -1.065
   12   1HD   LYS   2          2HD       LYS   2  -9.478  -8.702  -3.015
   13   2HD   LYS   2          1HD       LYS   2 -10.446  -7.240  -3.212
   14   1HE   LYS   2          2HE       LYS   2 -10.289  -6.968  -0.672
   15   2HE   LYS   2          1HE       LYS   2  -9.044  -8.217  -0.717
   16   1HZ   LYS   2          1HZ       LYS   2  -7.640  -6.889  -1.964
   17   2HZ   LYS   2          2HZ       LYS   2  -8.336  -5.775  -0.886
   18   3HZ   LYS   2          3HZ       LYS   2  -8.885  -5.866  -2.490
   19    H    GLU   3           H        GLU   3 -14.857  -9.792  -1.538
   20    HA   GLU   3           HA       GLU   3 -15.915  -8.693  -4.100
   21   1HB   GLU   3          2HB       GLU   3 -17.673  -8.543  -1.771
   22   2HB   GLU   3          1HB       GLU   3 -18.004  -9.170  -3.380
   23   1HG   GLU   3          2HG       GLU   3 -16.728 -11.242  -2.778
   24   2HG   GLU   3          1HG       GLU   3 -16.574 -10.622  -1.134
   25    H    CYS   4           H        CYS   4 -13.913  -7.162  -3.286
   26    HA   CYS   4           HA       CYS   4 -15.071  -4.602  -2.795
   27   1HB   CYS   4          2HB       CYS   4 -14.150  -6.119  -0.422
   28   2HB   CYS   4          1HB       CYS   4 -13.638  -4.448  -0.514
   29    H    ASP   5           H        ASP   5 -13.490  -4.992  -4.749
   30    HA   ASP   5           HA       ASP   5 -10.759  -5.221  -4.681
   31   1HB   ASP   5          2HB       ASP   5 -12.034  -4.690  -6.730
   32   2HB   ASP   5          1HB       ASP   5 -12.264  -3.042  -6.156
   33    H    CYS   6           H        CYS   6 -12.624  -2.423  -3.585
   34    HA   CYS   6           HA       CYS   6 -10.179  -1.470  -2.149
   35   1HB   CYS   6          2HB       CYS   6 -12.170   0.395  -3.461
   36   2HB   CYS   6          1HB       CYS   6 -10.623   0.817  -2.729
   37    H    SER   7           H        SER   7 -10.870   0.144  -0.363
   38    HA   SER   7           HA       SER   7 -13.495  -0.745   0.766
   39   1HB   SER   7          2HB       SER   7 -12.520  -1.103   2.796
   40   2HB   SER   7          1HB       SER   7 -11.037  -1.228   1.856
   41    HG   SER   7           HG       SER   7 -10.880   0.280   3.590
   42    H    SER   8           H        SER   8 -12.866   1.636  -0.947
   43    HA   SER   8           HA       SER   8 -13.773   3.717   0.992
   44   1HB   SER   8          2HB       SER   8 -11.429   3.717  -0.641
   45   2HB   SER   8          1HB       SER   8 -12.512   4.982  -1.211
   46    HG   SER   8           HG       SER   8 -11.567   4.560   1.435
   47    HA   PRO   9           HA       PRO   9 -17.085   3.749  -2.020
   48   1HB   PRO   9          2HB       PRO   9 -18.739   5.361  -0.536
   49   2HB   PRO   9          1HB       PRO   9 -18.548   3.624  -0.244
   50   1HG   PRO   9          2HG       PRO   9 -17.486   5.917   1.333
   51   2HG   PRO   9          1HG       PRO   9 -17.845   4.264   1.859
   52   1HD   PRO   9          2HD       PRO   9 -15.272   5.319   1.274
   53   2HD   PRO   9          1HD       PRO   9 -15.675   3.609   1.533
   54    H    GLU  10           H        GLU  10 -14.801   5.962  -1.642
   55    HA   GLU  10           HA       GLU  10 -16.241   7.990  -3.289
   56   1HB   GLU  10          2HB       GLU  10 -14.467   8.439  -0.886
   57   2HB   GLU  10          1HB       GLU  10 -14.711   9.696  -2.099
   58   1HG   GLU  10          2HG       GLU  10 -17.158   8.352  -1.076
   59   2HG   GLU  10          1HG       GLU  10 -16.320   9.422   0.048
   60    H    ASN  11           H        ASN  11 -14.772   5.983  -4.452
   61    HA   ASN  11           HA       ASN  11 -12.495   7.500  -5.527
   62   1HB   ASN  11          2HB       ASN  11 -11.039   6.256  -4.323
   63   2HB   ASN  11          1HB       ASN  11 -12.302   5.142  -3.821
   64   1HD2  ASN  11          1HD2      ASN  11 -11.006   3.241  -4.160
   65   2HD2  ASN  11          2HD2      ASN  11 -10.555   2.718  -5.709
   66    HA   PRO  12           HA       PRO  12 -14.339   5.986  -9.231
   67   1HB   PRO  12          2HB       PRO  12 -12.349   6.792 -10.951
   68   2HB   PRO  12          1HB       PRO  12 -13.544   7.891 -10.240
   69   1HG   PRO  12          2HG       PRO  12 -10.665   7.546  -9.544
   70   2HG   PRO  12          1HG       PRO  12 -11.702   8.969  -9.357
   71   1HD   PRO  12          2HD       PRO  12 -10.954   7.189  -7.291
   72   2HD   PRO  12          1HD       PRO  12 -12.249   8.402  -7.205
   73    H    CYS  13           H        CYS  13 -10.858   5.281  -8.798
   74    HA   CYS  13           HA       CYS  13 -10.540   3.184 -10.639
   75   1HB   CYS  13          2HB       CYS  13  -9.420   3.238  -7.827
   76   2HB   CYS  13          1HB       CYS  13  -8.737   2.395  -9.214
   77    H    CYS  14           H        CYS  14 -12.436   3.261  -7.732
   78    HA   CYS  14           HA       CYS  14 -13.019   0.371  -8.220
   79   1HB   CYS  14          2HB       CYS  14 -12.158   1.761  -5.817
   80   2HB   CYS  14          1HB       CYS  14 -13.661   0.887  -5.566
   81    H    ASP  15           H        ASP  15 -15.132  -0.025  -6.661
   82    HA   ASP  15           HA       ASP  15 -17.155   2.052  -7.297
   83   1HB   ASP  15          2HB       ASP  15 -16.850  -0.079  -8.937
   84   2HB   ASP  15          1HB       ASP  15 -17.955  -0.747  -7.745
   85    H    ALA  16           H        ALA  16 -18.635   2.271  -5.646
   86    HA   ALA  16           HA       ALA  16 -18.247   0.615  -3.267
   87   1HB   ALA  16          1HB       ALA  16 -19.144   2.362  -2.112
   88   2HB   ALA  16          2HB       ALA  16 -20.437   2.597  -3.288
   89   3HB   ALA  16          3HB       ALA  16 -18.831   3.256  -3.600
   90    H    ALA  17           H        ALA  17 -20.706   1.120  -5.750
   91    HA   ALA  17           HA       ALA  17 -22.794  -0.356  -4.429
   92   1HB   ALA  17          1HB       ALA  17 -22.946  -0.576  -7.308
   93   2HB   ALA  17          2HB       ALA  17 -22.504   1.067  -6.848
   94   3HB   ALA  17          3HB       ALA  17 -23.979   0.341  -6.212
   95    H    THR  18           H        THR  18 -19.928  -1.339  -6.105
   96    HA   THR  18           HA       THR  18 -20.886  -4.169  -5.940
   97    HB   THR  18           HB       THR  18 -19.927  -4.697  -8.026
   98    HG1  THR  18           HG1      THR  18 -18.561  -3.131  -9.083
   99   1HG2  THR  18          1HG2      THR  18 -21.206  -3.437  -9.464
  100   2HG2  THR  18          2HG2      THR  18 -20.685  -1.909  -8.752
  101   3HG2  THR  18          3HG2      THR  18 -21.902  -2.891  -7.938
  102    H    CYS  19           H        CYS  19 -18.735  -1.951  -4.766
  103    HA   CYS  19           HA       CYS  19 -16.581  -2.105  -3.812
  104   1HB   CYS  19          2HB       CYS  19 -18.311  -3.963  -2.643
  105   2HB   CYS  19          1HB       CYS  19 -16.845  -4.855  -2.964
  106    H    LYS  20           H        LYS  20 -15.892  -2.282  -6.238
  107    HA   LYS  20           HA       LYS  20 -13.871  -4.357  -6.383
  108   1HB   LYS  20          2HB       LYS  20 -16.460  -4.755  -7.683
  109   2HB   LYS  20          1HB       LYS  20 -15.088  -4.899  -8.785
  110   1HG   LYS  20          2HG       LYS  20 -14.592  -6.216  -6.231
  111   2HG   LYS  20          1HG       LYS  20 -16.004  -6.876  -7.056
  112   1HD   LYS  20          2HD       LYS  20 -13.652  -6.374  -8.783
  113   2HD   LYS  20          1HD       LYS  20 -13.451  -7.657  -7.588
  114   1HE   LYS  20          2HE       LYS  20 -14.361  -8.584  -9.671
  115   2HE   LYS  20          1HE       LYS  20 -15.556  -8.704  -8.380
  116   1HZ   LYS  20          1HZ       LYS  20 -16.187  -7.734 -10.710
  117   2HZ   LYS  20          2HZ       LYS  20 -15.545  -6.302 -10.059
  118   3HZ   LYS  20          3HZ       LYS  20 -16.845  -7.080  -9.290
  119    H    LEU  21           H        LEU  21 -13.350  -4.317  -9.096
  120    HA   LEU  21           HA       LEU  21 -12.372  -1.557  -9.385
  121   1HB   LEU  21          2HB       LEU  21 -11.673  -4.192 -10.433
  122   2HB   LEU  21          1HB       LEU  21 -11.697  -2.955 -11.686
  123    HG   LEU  21           HG       LEU  21 -10.066  -2.944  -9.140
  124   1HD1  LEU  21          1HD1      LEU  21  -8.713  -2.274 -11.588
  125   2HD1  LEU  21          2HD1      LEU  21  -9.560  -3.810 -11.765
  126   3HD1  LEU  21          3HD1      LEU  21  -8.384  -3.597 -10.469
  127   1HD2  LEU  21          1HD2      LEU  21 -10.434  -0.741  -9.131
  128   2HD2  LEU  21          2HD2      LEU  21 -11.068  -0.740 -10.774
  129   3HD2  LEU  21          3HD2      LEU  21  -9.326  -0.718 -10.500
  130    H    ARG  22           H        ARG  22 -12.954  -0.170 -11.037
  131    HA   ARG  22           HA       ARG  22 -15.504  -0.734 -12.360
  132   1HB   ARG  22          2HB       ARG  22 -15.070   1.565 -11.660
  133   2HB   ARG  22          1HB       ARG  22 -13.563   1.595 -12.579
  134   1HG   ARG  22          2HG       ARG  22 -14.635   1.847 -14.590
  135   2HG   ARG  22          1HG       ARG  22 -16.017   0.870 -14.093
  136   1HD   ARG  22          2HD       ARG  22 -16.059   3.130 -12.415
  137   2HD   ARG  22          1HD       ARG  22 -15.708   3.749 -14.030
  138    HE   ARG  22           HE       ARG  22 -17.834   2.884 -14.782
  139   1HH1  ARG  22          1HH1      ARG  22 -17.900   0.420 -13.046
  140   2HH1  ARG  22          2HH1      ARG  22 -19.172   0.805 -11.935
  141   1HH2  ARG  22          1HH2      ARG  22 -19.147   4.193 -12.669
  142   2HH2  ARG  22          2HH2      ARG  22 -19.877   2.942 -11.720
  143    HA   PRO  23           HA       PRO  23 -13.426  -2.832 -15.681
  144   1HB   PRO  23          2HB       PRO  23 -15.571  -2.760 -17.434
  145   2HB   PRO  23          1HB       PRO  23 -15.374  -3.952 -16.136
  146   1HG   PRO  23          2HG       PRO  23 -17.086  -1.475 -16.179
  147   2HG   PRO  23          1HG       PRO  23 -17.421  -3.056 -15.445
  148   1HD   PRO  23          2HD       PRO  23 -16.583  -0.907 -13.945
  149   2HD   PRO  23          1HD       PRO  23 -16.188  -2.581 -13.523
  150    H    GLY  24           H        GLY  24 -11.989  -1.028 -15.961
  151   1HA   GLY  24          2HA       GLY  24 -11.969   0.121 -18.550
  152   2HA   GLY  24          1HA       GLY  24 -12.556   1.346 -17.420
  153    H    ALA  25           H        ALA  25 -11.017   0.329 -15.174
  154    HA   ALA  25           HA       ALA  25  -8.381   1.433 -15.902
  155   1HB   ALA  25          1HB       ALA  25  -9.653   0.886 -13.209
  156   2HB   ALA  25          2HB       ALA  25  -9.535   2.458 -13.999
  157   3HB   ALA  25          3HB       ALA  25  -8.076   1.637 -13.447
  158    H    GLN  26           H        GLN  26  -6.903   0.248 -13.788
  159    HA   GLN  26           HA       GLN  26  -7.023  -2.656 -14.447
  160   1HB   GLN  26          2HB       GLN  26  -5.020  -0.816 -15.276
  161   2HB   GLN  26          1HB       GLN  26  -4.299  -1.863 -14.055
  162   1HG   GLN  26          2HG       GLN  26  -4.363  -3.677 -15.415
  163   2HG   GLN  26          1HG       GLN  26  -5.990  -3.297 -15.979
  164   1HE2  GLN  26          1HE2      GLN  26  -5.723  -3.326 -18.252
  165   2HE2  GLN  26          2HE2      GLN  26  -4.595  -2.368 -19.083
  166    H    CYS  27           H        CYS  27  -7.118  -0.394 -12.052
  167    HA   CYS  27           HA       CYS  27  -6.820  -2.353  -9.980
  168   1HB   CYS  27          2HB       CYS  27  -4.868  -1.274  -8.828
  169   2HB   CYS  27          1HB       CYS  27  -4.441  -2.080 -10.337
  170    H    GLY  28           H        GLY  28  -8.067  -1.695  -8.321
  171   1HA   GLY  28          2HA       GLY  28  -9.362   0.890  -8.454
  172   2HA   GLY  28          1HA       GLY  28  -9.612  -0.325  -7.215
  173    H    GLU  29           H        GLU  29  -6.615  -0.385  -6.702
  174    HA   GLU  29           HA       GLU  29  -5.731   2.200  -5.893
  175   1HB   GLU  29          2HB       GLU  29  -7.726   2.099  -4.427
  176   2HB   GLU  29          1HB       GLU  29  -7.110   0.611  -3.709
  177   1HG   GLU  29          2HG       GLU  29  -5.849   1.801  -2.291
  178   2HG   GLU  29          1HG       GLU  29  -5.035   2.578  -3.650
  179    H    GLY  30           H        GLY  30  -3.656   2.074  -4.925
  180   1HA   GLY  30          2HA       GLY  30  -2.601  -0.251  -3.660
  181   2HA   GLY  30          1HA       GLY  30  -2.158  -0.288  -5.365
  182    H    LEU  31           H        LEU  31  -0.107  -0.122  -3.594
  183    HA   LEU  31           HA       LEU  31   0.648   2.602  -2.941
  184   1HB   LEU  31          2HB       LEU  31   1.621  -0.024  -2.434
  185   2HB   LEU  31          1HB       LEU  31   2.930   0.924  -3.122
  186    HG   LEU  31           HG       LEU  31   2.687   1.019  -0.585
  187   1HD1  LEU  31          1HD1      LEU  31   3.753   2.765  -2.244
  188   2HD1  LEU  31          2HD1      LEU  31   3.514   3.201  -0.551
  189   3HD1  LEU  31          3HD1      LEU  31   2.373   3.759  -1.775
  190   1HD2  LEU  31          1HD2      LEU  31   0.086   1.310  -0.942
  191   2HD2  LEU  31          2HD2      LEU  31   0.503   3.018  -1.091
  192   3HD2  LEU  31          3HD2      LEU  31   0.889   2.142   0.390
  193    H    CYS  32           H        CYS  32   0.558   0.904  -5.839
  194    HA   CYS  32           HA       CYS  32   2.312   2.929  -7.105
  195   1HB   CYS  32          2HB       CYS  32   2.611  -0.023  -7.707
  196   2HB   CYS  32          1HB       CYS  32   3.630   1.299  -8.277
  197    H    CYS  33           H        CYS  33  -0.200   3.331  -7.489
  198    HA   CYS  33           HA       CYS  33  -0.740   2.255 -10.198
  199   1HB   CYS  33          2HB       CYS  33  -2.232   1.566  -7.811
  200   2HB   CYS  33          1HB       CYS  33  -3.267   2.402  -8.971
  201    H    GLU  34           H        GLU  34  -0.862   4.053 -11.423
  202    HA   GLU  34           HA       GLU  34  -1.286   6.684 -10.447
  203   1HB   GLU  34          2HB       GLU  34  -0.470   5.675 -12.805
  204   2HB   GLU  34          1HB       GLU  34  -2.132   6.079 -13.216
  205   1HG   GLU  34          2HG       GLU  34  -1.145   8.117 -13.666
  206   2HG   GLU  34          1HG       GLU  34  -1.505   8.347 -11.954
  207    H    GLN  35           H        GLN  35  -3.325   7.822 -11.993
  208    HA   GLN  35           HA       GLN  35  -5.612   7.376 -10.385
  209   1HB   GLN  35          2HB       GLN  35  -5.378   8.529 -13.179
  210   2HB   GLN  35          1HB       GLN  35  -6.852   8.589 -12.212
  211   1HG   GLN  35          2HG       GLN  35  -5.942  10.072 -10.664
  212   2HG   GLN  35          1HG       GLN  35  -4.283   9.582 -11.019
  213   1HE2  GLN  35          1HE2      GLN  35  -3.177  11.190 -12.129
  214   2HE2  GLN  35          2HE2      GLN  35  -3.865  12.247 -13.265
  215    H    CYS  36           H        CYS  36  -5.995   5.098 -10.316
  216    HA   CYS  36           HA       CYS  36  -7.022   3.110 -11.012
  217   1HB   CYS  36          2HB       CYS  36  -8.195   4.736 -13.274
  218   2HB   CYS  36          1HB       CYS  36  -8.888   3.324 -12.473
  219    H    LYS  37           H        LYS  37  -4.423   3.248 -11.832
  220    HA   LYS  37           HA       LYS  37  -4.495   1.683 -14.306
  221   1HB   LYS  37          2HB       LYS  37  -3.708   4.523 -14.306
  222   2HB   LYS  37          1HB       LYS  37  -2.509   3.449 -15.026
  223   1HG   LYS  37          2HG       LYS  37  -5.421   3.209 -15.759
  224   2HG   LYS  37          1HG       LYS  37  -4.385   4.390 -16.559
  225   1HD   LYS  37          2HD       LYS  37  -2.840   2.613 -17.243
  226   2HD   LYS  37          1HD       LYS  37  -3.820   1.415 -16.394
  227   1HE   LYS  37          2HE       LYS  37  -5.681   1.769 -17.877
  228   2HE   LYS  37          1HE       LYS  37  -4.902   3.170 -18.612
  229   1HZ   LYS  37          1HZ       LYS  37  -3.136   1.022 -18.800
  230   2HZ   LYS  37          2HZ       LYS  37  -3.951   1.819 -20.060
  231   3HZ   LYS  37          3HZ       LYS  37  -4.652   0.463 -19.315
  232    H    PHE  38           H        PHE  38  -2.820   0.214 -14.288
  233    HA   PHE  38           HA       PHE  38  -1.185  -0.108 -11.971
  234   1HB   PHE  38          2HB       PHE  38  -1.163  -1.264 -14.740
  235   2HB   PHE  38          1HB       PHE  38   0.215  -1.553 -13.684
  236    HD1  PHE  38           HD1      PHE  38  -2.565  -3.118 -14.792
  237    HD2  PHE  38           HD2      PHE  38  -0.816  -1.924 -11.055
  238    HE1  PHE  38           HE1      PHE  38  -3.816  -4.918 -13.632
  239    HE2  PHE  38           HE2      PHE  38  -2.069  -3.723  -9.894
  240    HZ   PHE  38           HZ       PHE  38  -3.568  -5.219 -11.184
  241    H    SER  39           H        SER  39   0.395   1.367 -11.385
  242    HA   SER  39           HA       SER  39   1.632   3.212 -13.139
  243   1HB   SER  39          2HB       SER  39   2.219   2.184 -10.437
  244   2HB   SER  39          1HB       SER  39   3.595   2.847 -11.299
  245    HG   SER  39           HG       SER  39   2.533   4.489 -10.187
  246    H    ARG  40           H        ARG  40   4.226   3.043 -13.435
  247    HA   ARG  40           HA       ARG  40   4.630   0.470 -14.826
  248   1HB   ARG  40          2HB       ARG  40   6.312   1.572 -16.130
  249   2HB   ARG  40          1HB       ARG  40   4.952   2.691 -16.031
  250   1HG   ARG  40          2HG       ARG  40   6.035   3.958 -14.278
  251   2HG   ARG  40          1HG       ARG  40   7.328   2.765 -14.151
  252   1HD   ARG  40          2HD       ARG  40   8.170   3.315 -16.327
  253   2HD   ARG  40          1HD       ARG  40   6.747   4.288 -16.701
  254    HE   ARG  40           HE       ARG  40   7.561   5.974 -15.118
  255   1HH1  ARG  40          1HH2      ARG  40   9.254   3.846 -13.605
  256   2HH1  ARG  40          2HH2      ARG  40  10.849   4.404 -13.985
  257   1HH2  ARG  40          1HH1      ARG  40   9.795   6.479 -16.557
  258   2HH2  ARG  40          2HH1      ARG  40  11.155   5.894 -15.657
  259    H    ALA  41           H        ALA  41   6.720  -0.647 -14.532
  260    HA   ALA  41           HA       ALA  41   7.464  -1.002 -11.842
  261   1HB   ALA  41          1HB       ALA  41   8.068  -2.476 -13.849
  262   2HB   ALA  41          2HB       ALA  41   9.333  -2.259 -12.639
  263   3HB   ALA  41          3HB       ALA  41   9.391  -1.348 -14.148
  264    H    GLY  42           H        GLY  42  10.025  -0.590 -11.270
  265   1HA   GLY  42          2HA       GLY  42  11.531   1.091 -10.617
  266   2HA   GLY  42          1HA       GLY  42  11.145   1.886 -12.138
  267    H    LYS  43           H        LYS  43   8.645   1.039  -9.841
  268    HA   LYS  43           HA       LYS  43   8.100   3.933  -9.495
  269   1HB   LYS  43          2HB       LYS  43   6.225   2.654 -10.342
  270   2HB   LYS  43          1HB       LYS  43   6.393   1.483  -9.039
  271   1HG   LYS  43          2HG       LYS  43   4.700   2.809  -8.175
  272   2HG   LYS  43          1HG       LYS  43   6.103   3.628  -7.513
  273   1HD   LYS  43          2HD       LYS  43   6.084   5.100  -9.591
  274   2HD   LYS  43          1HD       LYS  43   4.503   4.408  -9.956
  275   1HE   LYS  43          2HE       LYS  43   3.757   6.169  -8.700
  276   2HE   LYS  43          1HE       LYS  43   4.124   5.085  -7.359
  277   1HZ   LYS  43          1HZ       LYS  43   5.917   6.278  -6.769
  278   2HZ   LYS  43          2HZ       LYS  43   5.134   7.536  -7.599
  279   3HZ   LYS  43          3HZ       LYS  43   6.356   6.639  -8.367
  280    H    ILE  44           H        ILE  44   8.497   4.887  -7.536
  281    HA   ILE  44           HA       ILE  44   9.550   3.226  -5.392
  282    HB   ILE  44           HB       ILE  44   9.493   6.064  -6.057
  283   1HG1  ILE  44          2HG1      ILE  44  11.485   4.569  -6.027
  284   2HG1  ILE  44          1HG1      ILE  44  11.678   5.972  -4.975
  285   1HG2  ILE  44          1HG2      ILE  44   9.906   6.604  -3.531
  286   2HG2  ILE  44          2HG2      ILE  44   8.935   5.161  -3.243
  287   3HG2  ILE  44          3HG2      ILE  44   8.247   6.527  -4.122
  288   1HD1  ILE  44          1HD1      ILE  44  10.426   3.623  -3.692
  289   2HD1  ILE  44          2HD1      ILE  44  11.667   4.715  -3.075
  290   3HD1  ILE  44          3HD1      ILE  44  12.110   3.401  -4.165
  291    H    CYS  45           H        CYS  45   8.136   2.061  -4.219
  292    HA   CYS  45           HA       CYS  45   5.419   3.080  -3.667
  293   1HB   CYS  45          2HB       CYS  45   5.047   0.896  -2.643
  294   2HB   CYS  45          1HB       CYS  45   5.821   0.675  -4.209
  295    H    ARG  46           H        ARG  46   8.516   3.081  -2.229
  296    HA   ARG  46           HA       ARG  46   7.651   4.621   0.041
  297   1HB   ARG  46          2HB       ARG  46   7.401   1.802   0.327
  298   2HB   ARG  46          1HB       ARG  46   8.783   2.299   1.302
  299   1HG   ARG  46          2HG       ARG  46   7.461   3.882   2.526
  300   2HG   ARG  46          1HG       ARG  46   6.106   3.706   1.409
  301   1HD   ARG  46          2HD       ARG  46   5.309   1.963   2.587
  302   2HD   ARG  46          1HD       ARG  46   6.846   1.116   2.428
  303    HE   ARG  46           HE       ARG  46   7.582   2.225   4.507
  304   1HH1  ARG  46          1HH1      ARG  46   5.756   4.562   4.540
  305   2HH1  ARG  46          2HH1      ARG  46   4.566   4.097   5.711
  306   1HH2  ARG  46          1HH2      ARG  46   5.410   0.735   5.624
  307   2HH2  ARG  46          2HH2      ARG  46   4.371   1.931   6.324
  308    H    ILE  47           H        ILE  47   9.409   5.969   0.021
  309    HA   ILE  47           HA       ILE  47  12.026   5.160  -0.851
  310    HB   ILE  47           HB       ILE  47  11.402   7.488  -0.980
  311   1HG1  ILE  47          2HG1      ILE  47  13.808   6.711  -0.255
  312   2HG1  ILE  47          1HG1      ILE  47  13.403   8.423  -0.212
  313   1HG2  ILE  47          1HG2      ILE  47  10.787   7.094   1.929
  314   2HG2  ILE  47          2HG2      ILE  47   9.835   7.902   0.684
  315   3HG2  ILE  47          3HG2      ILE  47  11.254   8.698   1.365
  316   1HD1  ILE  47          1HD1      ILE  47  13.628   8.523   2.036
  317   2HD1  ILE  47          2HD1      ILE  47  14.421   6.953   1.908
  318   3HD1  ILE  47          3HD1      ILE  47  12.700   7.043   2.275
  319    H    ALA  48           H        ALA  48  13.962   4.976   0.495
  320    HA   ALA  48           HA       ALA  48  13.729   3.212   2.668
  321   1HB   ALA  48          1HB       ALA  48  15.896   5.073   1.746
  322   2HB   ALA  48          2HB       ALA  48  15.889   3.311   1.806
  323   3HB   ALA  48          3HB       ALA  48  16.076   4.244   3.291
  324    H    ARG  49           H        ARG  49  12.614   3.636   4.524
  325    HA   ARG  49           HA       ARG  49  12.071   6.222   5.552
  326   1HB   ARG  49          2HB       ARG  49  12.245   3.693   7.152
  327   2HB   ARG  49          1HB       ARG  49  11.307   5.125   7.549
  328   1HG   ARG  49          2HG       ARG  49   9.624   4.557   6.134
  329   2HG   ARG  49          1HG       ARG  49  10.740   4.014   4.882
  330   1HD   ARG  49          2HD       ARG  49   9.773   1.993   5.499
  331   2HD   ARG  49          1HD       ARG  49  11.174   2.026   6.571
  332    HE   ARG  49           HE       ARG  49   8.769   3.241   7.720
  333   1HH1  ARG  49          1HH1      ARG  49  10.370   0.277   7.008
  334   2HH1  ARG  49          2HH1      ARG  49   9.850  -0.509   8.461
  335   1HH2  ARG  49          1HH2      ARG  49   8.192   2.277   9.692
  336   2HH2  ARG  49          2HH2      ARG  49   8.616   0.623   9.981
  337    H    GLY  50           H        GLY  50  14.060   3.896   7.284
  338   1HA   GLY  50          2HA       GLY  50  15.568   5.985   8.584
  339   2HA   GLY  50          1HA       GLY  50  15.915   4.260   8.683
  340    H    ASP  51           H        ASP  51  16.480   3.480   6.198
  341    HA   ASP  51           HA       ASP  51  17.831   5.026   4.361
  342   1HB   ASP  51          2HB       ASP  51  19.222   5.054   6.876
  343   2HB   ASP  51          1HB       ASP  51  20.210   4.266   5.648
  344    H    TRP  52           H        TRP  52  17.736   3.451   2.823
  345    HA   TRP  52           HA       TRP  52  19.514   1.223   2.840
  346   1HB   TRP  52          2HB       TRP  52  17.143  -0.282   2.715
  347   2HB   TRP  52          1HB       TRP  52  18.360  -0.339   3.985
  348    HD1  TRP  52           HD1      TRP  52  15.447   2.063   3.120
  349    HE1  TRP  52           HE1      TRP  52  14.170   2.587   5.297
  350    HE3  TRP  52           HE3      TRP  52  18.207  -0.655   6.400
  351    HZ2  TRP  52           HZ2      TRP  52  14.316   1.928   8.084
  352    HZ3  TRP  52           HZ3      TRP  52  17.635  -0.700   8.814
  353    HH2  TRP  52           HH2      TRP  52  15.692   0.591   9.660
  354    H    ASN  53           H        ASN  53  18.141  -0.528   1.133
  355    HA   ASN  53           HA       ASN  53  18.330   0.834  -1.363
  356   1HB   ASN  53          2HB       ASN  53  17.813  -1.834  -0.463
  357   2HB   ASN  53          1HB       ASN  53  16.585  -1.405  -1.655
  358   1HD2  ASN  53          1HD2      ASN  53  20.030  -0.379  -1.436
  359   2HD2  ASN  53          2HD2      ASN  53  20.457  -0.964  -2.970
  360    H    ASP  54           H        ASP  54  16.671   1.554  -2.798
  361    HA   ASP  54           HA       ASP  54  14.309   2.613  -1.436
  362   1HB   ASP  54          2HB       ASP  54  14.596   2.762  -4.384
  363   2HB   ASP  54          1HB       ASP  54  14.052   3.994  -3.255
  364    H    ASP  55           H        ASP  55  12.175   1.968  -1.783
  365    HA   ASP  55           HA       ASP  55  11.810  -0.764  -2.745
  366   1HB   ASP  55          2HB       ASP  55   9.614   1.131  -2.010
  367   2HB   ASP  55          1HB       ASP  55   9.633  -0.619  -1.856
  368    H    ARG  56           H        ARG  56  11.026  -1.354  -4.737
  369    HA   ARG  56           HA       ARG  56  10.067   0.829  -6.546
  370   1HB   ARG  56          2HB       ARG  56  12.360  -0.757  -6.823
  371   2HB   ARG  56          1HB       ARG  56  11.180  -1.488  -7.908
  372   1HG   ARG  56          2HG       ARG  56  12.250   0.171  -9.212
  373   2HG   ARG  56          1HG       ARG  56  10.712   0.893  -8.740
  374   1HD   ARG  56          2HD       ARG  56  12.891   2.302  -8.470
  375   2HD   ARG  56          1HD       ARG  56  11.716   2.301  -7.156
  376    HE   ARG  56           HE       ARG  56  13.234   0.994  -5.849
  377   1HH1  ARG  56          1HH2      ARG  56  13.999  -0.354  -8.673
  378   2HH1  ARG  56          2HH2      ARG  56  15.717  -0.141  -8.587
  379   1HH2  ARG  56          1HH1      ARG  56  15.575   2.057  -5.910
  380   2HH2  ARG  56          2HH1      ARG  56  16.607   1.224  -7.024
  381    H    CYS  57           H        CYS  57   8.461   0.150  -8.102
  382    HA   CYS  57           HA       CYS  57   6.996  -2.310  -7.252
  383   1HB   CYS  57          2HB       CYS  57   5.717  -0.191  -8.942
  384   2HB   CYS  57          1HB       CYS  57   4.980  -1.274  -7.771
  385    H    THR  58           H        THR  58   5.854  -3.385  -9.127
  386    HA   THR  58           HA       THR  58   7.749  -3.669 -11.348
  387    HB   THR  58           HB       THR  58   6.456  -5.585 -11.968
  388    HG1  THR  58           HG1      THR  58   4.477  -4.211 -10.560
  389   1HG2  THR  58          1HG2      THR  58   7.756  -5.872  -9.903
  390   2HG2  THR  58          2HG2      THR  58   6.266  -6.813  -9.828
  391   3HG2  THR  58          3HG2      THR  58   6.391  -5.288  -8.951
  392    H    GLY  59           H        GLY  59   6.205  -4.152 -13.531
  393   1HA   GLY  59          2HA       GLY  59   5.061  -1.461 -14.063
  394   2HA   GLY  59          1HA       GLY  59   5.584  -2.610 -15.294
  395    H    GLN  60           H        GLN  60   3.793  -4.032 -12.750
  396    HA   GLN  60           HA       GLN  60   1.166  -3.594 -13.981
  397   1HB   GLN  60          2HB       GLN  60   0.824  -6.053 -14.400
  398   2HB   GLN  60          1HB       GLN  60   2.002  -5.305 -15.479
  399   1HG   GLN  60          2HG       GLN  60   3.804  -6.062 -13.855
  400   2HG   GLN  60          1HG       GLN  60   2.560  -7.012 -13.043
  401   1HE2  GLN  60          1HE2      GLN  60   3.267  -6.431 -16.541
  402   2HE2  GLN  60          2HE2      GLN  60   3.329  -8.078 -16.947
  403    H    SER  61           H        SER  61   2.713  -3.538 -11.309
  404    HA   SER  61           HA       SER  61   0.794  -5.247  -9.771
  405   1HB   SER  61          2HB       SER  61   3.170  -5.855  -9.436
  406   2HB   SER  61          1HB       SER  61   3.518  -4.203  -8.934
  407    HG   SER  61           HG       SER  61   2.846  -6.083  -7.364
  408    H    ALA  62           H        ALA  62  -0.226  -4.278  -7.924
  409    HA   ALA  62           HA       ALA  62  -0.199  -1.291  -8.004
  410   1HB   ALA  62          1HB       ALA  62  -2.346  -3.026  -6.770
  411   2HB   ALA  62          2HB       ALA  62  -2.374  -2.554  -8.469
  412   3HB   ALA  62          3HB       ALA  62  -2.449  -1.322  -7.210
  413    H    ASP  63           H        ASP  63   0.227  -4.097  -5.940
  414    HA   ASP  63           HA       ASP  63   0.400  -2.396  -3.529
  415   1HB   ASP  63          2HB       ASP  63   0.271  -5.297  -4.076
  416   2HB   ASP  63          1HB       ASP  63   1.200  -4.817  -2.661
  417    H    CYS  64           H        CYS  64   2.411  -2.999  -2.090
  418    HA   CYS  64           HA       CYS  64   4.819  -3.009  -3.855
  419   1HB   CYS  64          2HB       CYS  64   4.686  -0.803  -3.090
  420   2HB   CYS  64          1HB       CYS  64   4.142  -1.272  -1.488
  421    HA   PRO  65           HA       PRO  65   5.432  -6.525  -1.188
  422   1HB   PRO  65          2HB       PRO  65   6.989  -7.805  -3.044
  423   2HB   PRO  65          1HB       PRO  65   5.226  -7.887  -3.033
  424   1HG   PRO  65          2HG       PRO  65   7.040  -6.441  -4.882
  425   2HG   PRO  65          1HG       PRO  65   5.360  -6.949  -5.130
  426   1HD   PRO  65          2HD       PRO  65   6.277  -4.327  -4.491
  427   2HD   PRO  65          1HD       PRO  65   4.591  -4.876  -4.551
  428    H    ARG  66           H        ARG  66   7.043  -6.483   0.350
  429    HA   ARG  66           HA       ARG  66   9.827  -6.422  -0.265
  430   1HB   ARG  66          2HB       ARG  66   9.055  -3.992  -0.744
  431   2HB   ARG  66          1HB       ARG  66   8.923  -3.843   1.009
  432   1HG   ARG  66          2HG       ARG  66  11.159  -3.666   1.237
  433   2HG   ARG  66          1HG       ARG  66  11.428  -5.108   0.256
  434   1HD   ARG  66          2HD       ARG  66  10.578  -3.129  -1.555
  435   2HD   ARG  66          1HD       ARG  66  11.723  -2.322  -0.483
  436    HE   ARG  66           HE       ARG  66  12.890  -4.788  -1.216
  437   1HH1  ARG  66          1HH2      ARG  66  11.400  -3.749  -3.758
  438   2HH1  ARG  66          2HH2      ARG  66  12.716  -2.969  -4.571
  439   1HH2  ARG  66          1HH1      ARG  66  14.781  -2.961  -1.787
  440   2HH2  ARG  66          2HH1      ARG  66  14.628  -2.523  -3.456
  441    H    TYR  67           H        TYR  67  11.085  -6.767   1.633
  442    HA   TYR  67           HA       TYR  67   9.698  -7.942   3.835
  443   1HB   TYR  67          2HB       TYR  67  12.050  -7.724   4.942
  444   2HB   TYR  67          1HB       TYR  67  11.878  -8.760   3.526
  445    HD1  TYR  67           HD1      TYR  67  12.968  -5.401   4.683
  446    HD2  TYR  67           HD2      TYR  67  12.968  -8.241   1.460
  447    HE1  TYR  67           HE1      TYR  67  14.654  -4.035   3.480
  448    HE2  TYR  67           HE2      TYR  67  14.652  -6.874   0.258
  449    HH   TYR  67           HH       TYR  67  15.780  -4.952   0.229
  450    H    HIS  68           HN       HIS  68  11.215  -4.754   3.406
  451    HA   HIS  68           HA       HIS  68  10.303  -3.973   6.121
  452   1HB   HIS  68          2HB       HIS  68  12.262  -2.905   4.142
  453   2HB   HIS  68          1HB       HIS  68  11.471  -1.737   5.199
  454    HD1  HIS  68           HD1      HIS  68  11.300  -3.144   7.832
  455    HD2  HIS  68           HD2      HIS  68  14.660  -3.481   5.388
  456    HE1  HIS  68           HE1      HIS  68  13.214  -3.836   9.338
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  -8.886 -12.490  -7.276
    2   2H    GLY   1          2HT       GLY   1 -10.260 -12.552  -6.279
    3   3H    GLY   1          3HT       GLY   1  -9.327 -13.949  -6.533
    4   1HA   GLY   1          1HA       GLY   1  -7.867 -13.427  -4.952
    5   2HA   GLY   1          2HA       GLY   1  -7.798 -11.750  -5.495
    6    H    LYS   2           H        LYS   2  -8.613 -10.313  -4.055
    7    HA   LYS   2           HA       LYS   2 -10.276 -11.287  -1.830
    8   1HB   LYS   2          2HB       LYS   2  -8.926  -8.675  -2.487
    9   2HB   LYS   2          1HB       LYS   2 -10.127  -8.770  -1.199
   10   1HG   LYS   2          2HG       LYS   2  -8.557 -10.955  -0.654
   11   2HG   LYS   2          1HG       LYS   2  -7.369  -9.806  -1.272
   12   1HD   LYS   2          2HD       LYS   2  -7.374  -9.030   0.873
   13   2HD   LYS   2          1HD       LYS   2  -8.832  -8.183   0.353
   14   1HE   LYS   2          2HE       LYS   2 -10.191  -9.504   1.605
   15   2HE   LYS   2          1HE       LYS   2  -9.299 -10.968   1.189
   16   1HZ   LYS   2          1HZ       LYS   2  -7.500  -9.920   2.709
   17   2HZ   LYS   2          2HZ       LYS   2  -8.818 -10.738   3.404
   18   3HZ   LYS   2          3HZ       LYS   2  -8.799  -9.040   3.350
   19    H    GLU   3           H        GLU   3 -11.963  -9.206  -1.297
   20    HA   GLU   3           HA       GLU   3 -13.623  -8.959  -3.765
   21   1HB   GLU   3          2HB       GLU   3 -14.320 -10.009  -1.090
   22   2HB   GLU   3          1HB       GLU   3 -15.529  -9.000  -1.876
   23   1HG   GLU   3          2HG       GLU   3 -15.370 -10.437  -3.900
   24   2HG   GLU   3          1HG       GLU   3 -14.223 -11.474  -3.049
   25    H    CYS   4           H        CYS   4 -12.002  -6.903  -3.270
   26    HA   CYS   4           HA       CYS   4 -13.733  -4.664  -2.821
   27   1HB   CYS   4          2HB       CYS   4 -12.170  -5.685  -0.502
   28   2HB   CYS   4          1HB       CYS   4 -12.159  -3.951  -0.752
   29    H    ASP   5           H        ASP   5 -12.335  -4.760  -4.940
   30    HA   ASP   5           HA       ASP   5  -9.610  -4.364  -5.116
   31   1HB   ASP   5          2HB       ASP   5 -11.160  -4.353  -7.060
   32   2HB   ASP   5          1HB       ASP   5 -11.664  -2.721  -6.617
   33    H    CYS   6           H        CYS   6 -11.996  -2.001  -3.988
   34    HA   CYS   6           HA       CYS   6  -9.693  -0.259  -3.199
   35   1HB   CYS   6          2HB       CYS   6 -10.846   1.688  -3.842
   36   2HB   CYS   6          1HB       CYS   6 -11.230   0.556  -5.135
   37    H    SER   7           H        SER   7 -10.511   1.380  -1.423
   38    HA   SER   7           HA       SER   7 -12.118  -0.197   0.543
   39   1HB   SER   7          2HB       SER   7 -10.496   0.191   2.060
   40   2HB   SER   7          1HB       SER   7  -9.521   0.874   0.764
   41    HG   SER   7           HG       SER   7  -9.845   2.767   1.599
   42    H    SER   8           H        SER   8 -12.016   2.644  -1.338
   43    HA   SER   8           HA       SER   8 -13.910   4.056   0.466
   44   1HB   SER   8          2HB       SER   8 -11.826   4.929  -1.247
   45   2HB   SER   8          1HB       SER   8 -13.339   5.533  -1.912
   46    HG   SER   8           HG       SER   8 -13.816   6.337   0.195
   47    HA   PRO   9           HA       PRO   9 -17.105   2.587  -2.284
   48   1HB   PRO   9          2HB       PRO   9 -19.181   3.712  -0.880
   49   2HB   PRO   9          1HB       PRO   9 -18.382   2.205  -0.402
   50   1HG   PRO   9          2HG       PRO   9 -18.145   4.919   0.807
   51   2HG   PRO   9          1HG       PRO   9 -17.898   3.332   1.555
   52   1HD   PRO   9          2HD       PRO   9 -15.860   5.098   0.682
   53   2HD   PRO   9          1HD       PRO   9 -15.645   3.396   1.141
   54    H    GLU  10           H        GLU  10 -15.848   5.606  -2.074
   55    HA   GLU  10           HA       GLU  10 -17.965   6.794  -3.825
   56   1HB   GLU  10          2HB       GLU  10 -16.276   7.921  -1.656
   57   2HB   GLU  10          1HB       GLU  10 -16.507   8.947  -3.072
   58   1HG   GLU  10          2HG       GLU  10 -18.780   9.155  -2.727
   59   2HG   GLU  10          1HG       GLU  10 -18.911   7.578  -1.947
   60    H    ASN  11           H        ASN  11 -14.861   5.506  -3.775
   61    HA   ASN  11           HA       ASN  11 -13.472   7.217  -5.577
   62   1HB   ASN  11          2HB       ASN  11 -12.922   4.847  -4.226
   63   2HB   ASN  11          1HB       ASN  11 -12.859   4.385  -5.925
   64   1HD2  ASN  11          1HD2      ASN  11 -10.435   4.160  -5.437
   65   2HD2  ASN  11          2HD2      ASN  11  -9.474   5.556  -5.544
   66    HA   PRO  12           HA       PRO  12 -15.767   6.304  -9.256
   67   1HB   PRO  12          2HB       PRO  12 -14.101   7.634 -10.991
   68   2HB   PRO  12          1HB       PRO  12 -15.260   8.448  -9.925
   69   1HG   PRO  12          2HG       PRO  12 -12.295   8.273  -9.681
   70   2HG   PRO  12          1HG       PRO  12 -13.403   9.506  -9.057
   71   1HD   PRO  12          2HD       PRO  12 -12.226   7.402  -7.558
   72   2HD   PRO  12          1HD       PRO  12 -13.548   8.463  -7.024
   73    H    CYS  13           H        CYS  13 -12.963   4.831  -8.362
   74    HA   CYS  13           HA       CYS  13 -12.636   3.447 -10.996
   75   1HB   CYS  13          2HB       CYS  13 -10.696   4.710  -9.498
   76   2HB   CYS  13          1HB       CYS  13 -10.524   3.017  -9.042
   77    H    CYS  14           H        CYS  14 -14.403   2.946  -8.432
   78    HA   CYS  14           HA       CYS  14 -14.075   0.062  -8.662
   79   1HB   CYS  14          2HB       CYS  14 -13.562  -0.404  -6.355
   80   2HB   CYS  14          1HB       CYS  14 -12.363   0.748  -6.946
   81    H    ASP  15           H        ASP  15 -16.058  -0.788  -8.639
   82    HA   ASP  15           HA       ASP  15 -18.415   0.699  -8.074
   83   1HB   ASP  15          2HB       ASP  15 -17.961  -1.582  -9.374
   84   2HB   ASP  15          1HB       ASP  15 -18.433  -2.253  -7.821
   85    H    ALA  16           H        ALA  16 -19.433   1.101  -6.142
   86    HA   ALA  16           HA       ALA  16 -18.204   0.103  -3.693
   87   1HB   ALA  16          1HB       ALA  16 -20.594   1.905  -4.154
   88   2HB   ALA  16          2HB       ALA  16 -18.954   2.420  -3.762
   89   3HB   ALA  16          3HB       ALA  16 -19.909   1.538  -2.570
   90    H    ALA  17           H        ALA  17 -20.733  -0.911  -5.750
   91    HA   ALA  17           HA       ALA  17 -22.236  -2.267  -3.602
   92   1HB   ALA  17          1HB       ALA  17 -22.575  -2.241  -6.615
   93   2HB   ALA  17          2HB       ALA  17 -23.529  -1.339  -5.438
   94   3HB   ALA  17          3HB       ALA  17 -23.643  -3.098  -5.503
   95    H    THR  18           H        THR  18 -19.645  -2.957  -5.772
   96    HA   THR  18           HA       THR  18 -19.860  -5.852  -5.039
   97    HB   THR  18           HB       THR  18 -18.732  -6.359  -7.193
   98    HG1  THR  18           HG1      THR  18 -17.672  -4.563  -7.739
   99   1HG2  THR  18          1HG2      THR  18 -20.763  -5.143  -8.577
  100   2HG2  THR  18          2HG2      THR  18 -21.392  -5.130  -6.930
  101   3HG2  THR  18          3HG2      THR  18 -20.926  -6.655  -7.683
  102    H    CYS  19           H        CYS  19 -18.236  -3.158  -4.297
  103    HA   CYS  19           HA       CYS  19 -16.019  -2.662  -3.662
  104   1HB   CYS  19          2HB       CYS  19 -16.992  -4.847  -2.231
  105   2HB   CYS  19          1HB       CYS  19 -15.396  -5.332  -2.749
  106    H    LYS  20           H        LYS  20 -15.534  -2.674  -6.079
  107    HA   LYS  20           HA       LYS  20 -13.085  -4.133  -6.524
  108   1HB   LYS  20          2HB       LYS  20 -15.624  -5.235  -7.544
  109   2HB   LYS  20          1HB       LYS  20 -14.341  -5.098  -8.750
  110   1HG   LYS  20          2HG       LYS  20 -13.173  -6.099  -6.354
  111   2HG   LYS  20          1HG       LYS  20 -14.629  -7.043  -6.670
  112   1HD   LYS  20          2HD       LYS  20 -13.810  -7.293  -9.065
  113   2HD   LYS  20          1HD       LYS  20 -12.277  -6.609  -8.524
  114   1HE   LYS  20          2HE       LYS  20 -11.972  -8.409  -6.926
  115   2HE   LYS  20          1HE       LYS  20 -13.577  -9.048  -7.281
  116   1HZ   LYS  20          1HZ       LYS  20 -12.634 -10.262  -8.857
  117   2HZ   LYS  20          2HZ       LYS  20 -11.135  -9.491  -8.650
  118   3HZ   LYS  20          3HZ       LYS  20 -12.290  -8.837  -9.709
  119    H    LEU  21           H        LEU  21 -12.733  -3.851  -9.206
  120    HA   LEU  21           HA       LEU  21 -12.762  -0.958  -9.504
  121   1HB   LEU  21          2HB       LEU  21 -11.781  -3.257 -11.162
  122   2HB   LEU  21          1HB       LEU  21 -11.934  -1.662 -11.902
  123    HG   LEU  21           HG       LEU  21 -10.529  -1.997  -9.267
  124   1HD1  LEU  21          1HD1      LEU  21  -8.686  -2.902 -10.208
  125   2HD1  LEU  21          2HD1      LEU  21  -8.769  -1.802 -11.583
  126   3HD1  LEU  21          3HD1      LEU  21  -9.710  -3.293 -11.590
  127   1HD2  LEU  21          1HD2      LEU  21 -10.233   0.207  -9.514
  128   2HD2  LEU  21          2HD2      LEU  21 -11.138   0.156 -11.027
  129   3HD2  LEU  21          3HD2      LEU  21  -9.390  -0.074 -11.037
  130    H    ARG  22           H        ARG  22 -14.272   0.262 -10.499
  131    HA   ARG  22           HA       ARG  22 -16.655  -1.036 -11.593
  132   1HB   ARG  22          2HB       ARG  22 -16.058   1.479 -10.447
  133   2HB   ARG  22          1HB       ARG  22 -16.563   1.804 -12.105
  134   1HG   ARG  22          2HG       ARG  22 -18.202  -0.211 -10.709
  135   2HG   ARG  22          1HG       ARG  22 -18.292   1.411 -10.018
  136   1HD   ARG  22          2HD       ARG  22 -18.405   1.882 -12.748
  137   2HD   ARG  22          1HD       ARG  22 -19.355   0.411 -12.554
  138    HE   ARG  22           HE       ARG  22 -21.014   1.735 -11.545
  139   1HH1  ARG  22          1HH1      ARG  22 -17.895   3.189 -11.260
  140   2HH1  ARG  22          2HH1      ARG  22 -18.491   4.626 -10.503
  141   1HH2  ARG  22          1HH2      ARG  22 -21.804   3.615 -10.564
  142   2HH2  ARG  22          2HH2      ARG  22 -20.698   4.869 -10.110
  143    HA   PRO  23           HA       PRO  23 -15.060   0.955 -15.627
  144   1HB   PRO  23          2HB       PRO  23 -12.645   2.260 -15.553
  145   2HB   PRO  23          1HB       PRO  23 -14.195   3.057 -15.233
  146   1HG   PRO  23          2HG       PRO  23 -12.063   2.261 -13.309
  147   2HG   PRO  23          1HG       PRO  23 -13.276   3.545 -13.173
  148   1HD   PRO  23          2HD       PRO  23 -13.386   1.010 -11.912
  149   2HD   PRO  23          1HD       PRO  23 -14.715   2.180 -12.036
  150    H    GLY  24           H        GLY  24 -12.761   0.757 -17.038
  151   1HA   GLY  24          2HA       GLY  24 -11.932  -2.038 -16.558
  152   2HA   GLY  24          1HA       GLY  24 -11.594  -1.095 -18.010
  153    H    ALA  25           H        ALA  25 -11.022   0.474 -15.001
  154    HA   ALA  25           HA       ALA  25  -8.286   0.985 -15.542
  155   1HB   ALA  25          1HB       ALA  25  -9.633   2.343 -13.982
  156   2HB   ALA  25          2HB       ALA  25  -8.166   1.753 -13.199
  157   3HB   ALA  25          3HB       ALA  25  -9.716   0.980 -12.867
  158    H    GLN  26           H        GLN  26  -6.471   0.274 -13.977
  159    HA   GLN  26           HA       GLN  26  -6.660  -2.683 -13.672
  160   1HB   GLN  26          2HB       GLN  26  -4.624  -0.905 -14.646
  161   2HB   GLN  26          1HB       GLN  26  -3.997  -1.819 -13.275
  162   1HG   GLN  26          2HG       GLN  26  -3.657  -3.500 -14.756
  163   2HG   GLN  26          1HG       GLN  26  -5.403  -3.727 -14.706
  164   1HE2  GLN  26          1HE2      GLN  26  -6.295  -3.762 -16.764
  165   2HE2  GLN  26          2HE2      GLN  26  -5.729  -2.870 -18.092
  166    H    CYS  27           H        CYS  27  -6.936   0.067 -11.829
  167    HA   CYS  27           HA       CYS  27  -6.879  -1.335  -9.352
  168   1HB   CYS  27          2HB       CYS  27  -4.858  -0.041  -8.399
  169   2HB   CYS  27          1HB       CYS  27  -4.515  -1.432  -9.428
  170    H    GLY  28           H        GLY  28  -7.725  -0.046  -7.685
  171   1HA   GLY  28          2HA       GLY  28  -8.631   2.647  -8.565
  172   2HA   GLY  28          1HA       GLY  28  -9.361   1.702  -7.268
  173    H    GLU  29           H        GLU  29  -6.351   1.126  -6.531
  174    HA   GLU  29           HA       GLU  29  -5.174   3.568  -5.684
  175   1HB   GLU  29          2HB       GLU  29  -5.819   3.662  -3.339
  176   2HB   GLU  29          1HB       GLU  29  -7.273   3.724  -4.334
  177   1HG   GLU  29          2HG       GLU  29  -7.416   1.196  -4.055
  178   2HG   GLU  29          1HG       GLU  29  -6.173   1.355  -2.814
  179    H    GLY  30           H        GLY  30  -3.090   3.005  -5.259
  180   1HA   GLY  30          1HA       GLY  30  -2.440   0.670  -3.623
  181   2HA   GLY  30          2HA       GLY  30  -1.988   0.488  -5.317
  182    H    LEU  31           H        LEU  31   0.041   0.512  -3.421
  183    HA   LEU  31           HA       LEU  31   1.128   3.069  -2.807
  184   1HB   LEU  31          2HB       LEU  31   1.970   0.364  -2.600
  185   2HB   LEU  31          1HB       LEU  31   3.259   1.275  -3.373
  186    HG   LEU  31           HG       LEU  31   3.599   1.408  -0.984
  187   1HD1  LEU  31          1HD1      LEU  31   2.279   4.036  -1.603
  188   2HD1  LEU  31          2HD1      LEU  31   3.690   3.529  -2.533
  189   3HD1  LEU  31          3HD1      LEU  31   3.809   3.725  -0.785
  190   1HD2  LEU  31          1HD2      LEU  31   1.270   2.871  -0.164
  191   2HD2  LEU  31          2HD2      LEU  31   1.850   1.315   0.431
  192   3HD2  LEU  31          3HD2      LEU  31   0.749   1.378  -0.945
  193    H    CYS  32           H        CYS  32   0.814   1.434  -5.805
  194    HA   CYS  32           HA       CYS  32   2.313   3.620  -7.118
  195   1HB   CYS  32          2HB       CYS  32   2.874   0.718  -7.780
  196   2HB   CYS  32          1HB       CYS  32   3.682   2.141  -8.436
  197    H    CYS  33           H        CYS  33  -0.438   3.386  -7.136
  198    HA   CYS  33           HA       CYS  33  -1.008   2.234  -9.838
  199   1HB   CYS  33          2HB       CYS  33  -2.460   1.232  -8.181
  200   2HB   CYS  33          1HB       CYS  33  -2.872   2.810  -7.512
  201    H    GLU  34           H        GLU  34  -0.479   3.967 -11.148
  202    HA   GLU  34           HA       GLU  34  -0.915   6.708 -10.552
  203   1HB   GLU  34          2HB       GLU  34  -0.534   7.122 -12.901
  204   2HB   GLU  34          1HB       GLU  34   0.536   5.814 -12.398
  205   1HG   GLU  34          2HG       GLU  34  -0.957   4.152 -13.330
  206   2HG   GLU  34          1HG       GLU  34  -2.174   5.380 -13.683
  207    H    GLN  35           H        GLN  35  -2.360   7.472 -12.960
  208    HA   GLN  35           HA       GLN  35  -4.953   7.784 -11.887
  209   1HB   GLN  35          2HB       GLN  35  -5.570   8.262 -14.358
  210   2HB   GLN  35          1HB       GLN  35  -4.360   9.297 -13.596
  211   1HG   GLN  35          2HG       GLN  35  -2.606   8.357 -14.784
  212   2HG   GLN  35          1HG       GLN  35  -3.435   6.813 -14.988
  213   1HE2  GLN  35          1HE2      GLN  35  -2.296   9.098 -16.908
  214   2HE2  GLN  35          2HE2      GLN  35  -3.526   9.219 -18.071
  215    H    CYS  36           H        CYS  36  -5.698   5.722 -11.196
  216    HA   CYS  36           HA       CYS  36  -6.727   3.622 -11.433
  217   1HB   CYS  36          2HB       CYS  36  -7.726   5.259 -13.754
  218   2HB   CYS  36          1HB       CYS  36  -8.261   3.596 -13.527
  219    H    LYS  37           H        LYS  37  -4.004   3.876 -12.600
  220    HA   LYS  37           HA       LYS  37  -4.214   1.535 -14.426
  221   1HB   LYS  37          2HB       LYS  37  -2.498   3.968 -15.012
  222   2HB   LYS  37          1HB       LYS  37  -2.609   2.509 -15.994
  223   1HG   LYS  37          2HG       LYS  37  -5.264   3.340 -15.642
  224   2HG   LYS  37          1HG       LYS  37  -4.361   4.823 -15.950
  225   1HD   LYS  37          2HD       LYS  37  -3.273   3.580 -17.906
  226   2HD   LYS  37          1HD       LYS  37  -4.520   2.352 -17.682
  227   1HE   LYS  37          2HE       LYS  37  -6.218   4.266 -17.819
  228   2HE   LYS  37          1HE       LYS  37  -4.887   5.265 -18.405
  229   1HZ   LYS  37          1HZ       LYS  37  -4.635   3.082 -19.930
  230   2HZ   LYS  37          2HZ       LYS  37  -5.504   4.467 -20.389
  231   3HZ   LYS  37          3HZ       LYS  37  -6.319   3.129 -19.730
  232    H    PHE  38           H        PHE  38  -2.305   0.198 -14.384
  233    HA   PHE  38           HA       PHE  38  -0.931   0.215 -11.849
  234   1HB   PHE  38          2HB       PHE  38  -0.704  -1.396 -14.370
  235   2HB   PHE  38          1HB       PHE  38   0.574  -1.508 -13.161
  236    HD1  PHE  38           HD1      PHE  38  -0.927  -1.182 -10.640
  237    HD2  PHE  38           HD2      PHE  38  -1.899  -3.418 -14.175
  238    HE1  PHE  38           HE1      PHE  38  -2.337  -2.707  -9.288
  239    HE2  PHE  38           HE2      PHE  38  -3.312  -4.943 -12.823
  240    HZ   PHE  38           HZ       PHE  38  -3.531  -4.587 -10.377
  241    H    SER  39           H        SER  39   0.618   1.672 -11.354
  242    HA   SER  39           HA       SER  39   2.003   3.381 -13.083
  243   1HB   SER  39          2HB       SER  39   3.685   3.584 -11.300
  244   2HB   SER  39          1HB       SER  39   2.071   3.527 -10.594
  245    HG   SER  39           HG       SER  39   4.154   1.824 -10.305
  246    H    ARG  40           H        ARG  40   4.573   3.152 -13.311
  247    HA   ARG  40           HA       ARG  40   4.986   0.604 -14.723
  248   1HB   ARG  40          2HB       ARG  40   6.802   1.669 -15.846
  249   2HB   ARG  40          1HB       ARG  40   5.530   2.886 -15.755
  250   1HG   ARG  40          2HG       ARG  40   6.791   3.381 -13.415
  251   2HG   ARG  40          1HG       ARG  40   8.153   2.782 -14.363
  252   1HD   ARG  40          2HD       ARG  40   7.595   4.409 -16.155
  253   2HD   ARG  40          1HD       ARG  40   6.286   5.038 -15.153
  254    HE   ARG  40           HE       ARG  40   9.172   5.449 -14.686
  255   1HH1  ARG  40          1HH1      ARG  40   6.029   5.345 -13.304
  256   2HH1  ARG  40          2HH1      ARG  40   6.308   6.672 -12.227
  257   1HH2  ARG  40          1HH2      ARG  40   9.501   7.316 -13.422
  258   2HH2  ARG  40          2HH2      ARG  40   8.275   7.789 -12.293
  259    H    ALA  41           H        ALA  41   6.631  -0.843 -14.129
  260    HA   ALA  41           HA       ALA  41   7.275  -1.185 -11.444
  261   1HB   ALA  41          1HB       ALA  41   7.765  -3.070 -12.714
  262   2HB   ALA  41          2HB       ALA  41   9.386  -2.413 -12.488
  263   3HB   ALA  41          3HB       ALA  41   8.523  -2.129 -13.998
  264    H    GLY  42           H        GLY  42   9.869  -1.295 -10.861
  265   1HA   GLY  42          2HA       GLY  42  11.635   0.077 -10.137
  266   2HA   GLY  42          1HA       GLY  42  11.544   0.808 -11.743
  267    H    LYS  43           H        LYS  43   8.675   0.806  -9.829
  268    HA   LYS  43           HA       LYS  43   8.867   3.745  -9.607
  269   1HB   LYS  43          2HB       LYS  43   6.779   3.177 -10.493
  270   2HB   LYS  43          1HB       LYS  43   6.620   1.759  -9.469
  271   1HG   LYS  43          2HG       LYS  43   5.351   2.999  -8.080
  272   2HG   LYS  43          1HG       LYS  43   6.775   3.951  -7.695
  273   1HD   LYS  43          2HD       LYS  43   6.203   5.168  -9.965
  274   2HD   LYS  43          1HD       LYS  43   4.587   4.536  -9.649
  275   1HE   LYS  43          2HE       LYS  43   4.382   6.468  -8.438
  276   2HE   LYS  43          1HE       LYS  43   5.182   5.507  -7.195
  277   1HZ   LYS  43          1HZ       LYS  43   6.244   7.656  -8.858
  278   2HZ   LYS  43          2HZ       LYS  43   7.297   6.373  -8.494
  279   3HZ   LYS  43          3HZ       LYS  43   6.579   7.268  -7.241
  280    H    ILE  44           H        ILE  44   9.036   4.793  -7.628
  281    HA   ILE  44           HA       ILE  44   9.923   3.178  -5.381
  282    HB   ILE  44           HB       ILE  44  10.906   5.374  -5.826
  283   1HG1  ILE  44          2HG1      ILE  44  10.497   6.374  -3.501
  284   2HG1  ILE  44          1HG1      ILE  44   9.343   5.063  -3.252
  285   1HG2  ILE  44          1HG2      ILE  44   8.177   6.093  -6.166
  286   2HG2  ILE  44          2HG2      ILE  44   9.600   7.109  -6.396
  287   3HG2  ILE  44          3HG2      ILE  44   8.805   7.048  -4.822
  288   1HD1  ILE  44          1HD1      ILE  44  11.932   4.816  -2.595
  289   2HD1  ILE  44          2HD1      ILE  44  12.040   4.317  -4.283
  290   3HD1  ILE  44          3HD1      ILE  44  10.980   3.448  -3.172
  291    H    CYS  45           H        CYS  45   8.702   2.293  -3.903
  292    HA   CYS  45           HA       CYS  45   5.961   3.378  -3.382
  293   1HB   CYS  45          2HB       CYS  45   5.618   0.994  -2.421
  294   2HB   CYS  45          1HB       CYS  45   5.671   1.166  -4.168
  295    H    ARG  46           H        ARG  46   9.083   2.649  -2.111
  296    HA   ARG  46           HA       ARG  46   8.347   3.858   0.447
  297   1HB   ARG  46          2HB       ARG  46   8.717   0.930   0.136
  298   2HB   ARG  46          1HB       ARG  46   9.557   1.670   1.500
  299   1HG   ARG  46          2HG       ARG  46   7.624   1.767   2.644
  300   2HG   ARG  46          1HG       ARG  46   6.924   2.779   1.379
  301   1HD   ARG  46          2HD       ARG  46   5.513   1.054   0.986
  302   2HD   ARG  46          1HD       ARG  46   6.896   0.250   0.244
  303    HE   ARG  46           HE       ARG  46   6.929  -0.184   3.084
  304   1HH1  ARG  46          1HH2      ARG  46   7.428  -2.341   1.097
  305   2HH1  ARG  46          2HH2      ARG  46   6.016  -3.331   1.254
  306   1HH2  ARG  46          1HH1      ARG  46   4.170  -0.904   2.902
  307   2HH2  ARG  46          2HH1      ARG  46   4.174  -2.519   2.275
  308    H    ILE  47           H        ILE  47  10.427   3.701   1.945
  309    HA   ILE  47           HA       ILE  47  12.811   4.105   0.181
  310    HB   ILE  47           HB       ILE  47  12.203   6.253   1.024
  311   1HG1  ILE  47          2HG1      ILE  47  14.055   6.804   2.547
  312   2HG1  ILE  47          1HG1      ILE  47  14.273   5.094   2.920
  313   1HG2  ILE  47          1HG2      ILE  47  12.141   6.210   3.763
  314   2HG2  ILE  47          2HG2      ILE  47  11.394   4.661   3.373
  315   3HG2  ILE  47          3HG2      ILE  47  10.709   6.155   2.735
  316   1HD1  ILE  47          1HD1      ILE  47  15.720   6.308   1.029
  317   2HD1  ILE  47          2HD1      ILE  47  14.316   5.892   0.045
  318   3HD1  ILE  47          3HD1      ILE  47  15.221   4.623   0.872
  319    H    ALA  48           H        ALA  48  14.561   2.858   0.698
  320    HA   ALA  48           HA       ALA  48  14.430   0.745   2.563
  321   1HB   ALA  48          1HB       ALA  48  16.441   0.193   1.680
  322   2HB   ALA  48          2HB       ALA  48  17.154   1.734   2.158
  323   3HB   ALA  48          3HB       ALA  48  16.254   1.610   0.646
  324    H    ARG  49           H        ARG  49  16.403   0.675   4.335
  325    HA   ARG  49           HA       ARG  49  16.043   3.109   6.016
  326   1HB   ARG  49          2HB       ARG  49  16.478   0.355   7.092
  327   2HB   ARG  49          1HB       ARG  49  15.915   1.775   7.963
  328   1HG   ARG  49          2HG       ARG  49  14.218   1.167   5.674
  329   2HG   ARG  49          1HG       ARG  49  14.304  -0.187   6.802
  330   1HD   ARG  49          2HD       ARG  49  13.878   2.604   7.836
  331   2HD   ARG  49          1HD       ARG  49  12.516   1.681   7.202
  332    HE   ARG  49           HE       ARG  49  13.595  -0.100   8.952
  333   1HH1  ARG  49          1HH1      ARG  49  11.150   1.658   9.536
  334   2HH1  ARG  49          2HH1      ARG  49  11.597   2.337  11.065
  335   1HH2  ARG  49          1HH2      ARG  49  14.941   1.464  10.775
  336   2HH2  ARG  49          2HH2      ARG  49  13.744   2.229  11.767
  337    H    GLY  50           H        GLY  50  18.102   0.260   6.199
  338   1HA   GLY  50          2HA       GLY  50  20.354   1.628   7.243
  339   2HA   GLY  50          1HA       GLY  50  20.427   0.062   6.439
  340    H    ASP  51           H        ASP  51  21.542   0.030   4.544
  341    HA   ASP  51           HA       ASP  51  21.635   2.493   2.914
  342   1HB   ASP  51          2HB       ASP  51  23.794   1.536   4.447
  343   2HB   ASP  51          1HB       ASP  51  24.152   1.114   2.774
  344    H    TRP  52           H        TRP  52  20.690   1.849   1.037
  345    HA   TRP  52           HA       TRP  52  21.879  -0.131  -0.643
  346   1HB   TRP  52          2HB       TRP  52  19.407  -1.415  -0.425
  347   2HB   TRP  52          1HB       TRP  52  20.951  -2.033   0.148
  348    HD1  TRP  52           HD1      TRP  52  18.585   0.690   1.574
  349    HE1  TRP  52           HE1      TRP  52  18.160   0.150   4.058
  350    HE3  TRP  52           HE3      TRP  52  21.243  -3.646   2.003
  351    HZ2  TRP  52           HZ2      TRP  52  18.849  -1.859   5.973
  352    HZ3  TRP  52           HZ3      TRP  52  21.343  -4.853   4.165
  353    HH2  TRP  52           HH2      TRP  52  20.150  -3.967   6.149
  354    H    ASN  53           H        ASN  53  19.651  -0.879  -2.174
  355    HA   ASN  53           HA       ASN  53  19.117   1.594  -3.571
  356   1HB   ASN  53          2HB       ASN  53  17.668   0.170  -5.009
  357   2HB   ASN  53          1HB       ASN  53  19.273  -0.523  -4.783
  358   1HD2  ASN  53          1HD2      ASN  53  18.346  -2.702  -5.199
  359   2HD2  ASN  53          2HD2      ASN  53  17.451  -3.491  -3.992
  360    H    ASP  54           H        ASP  54  16.510   1.610  -4.291
  361    HA   ASP  54           HA       ASP  54  15.111   2.117  -1.703
  362   1HB   ASP  54          2HB       ASP  54  15.290   3.548  -4.224
  363   2HB   ASP  54          1HB       ASP  54  13.617   3.286  -3.742
  364    H    ASP  55           H        ASP  55  12.654   1.790  -1.883
  365    HA   ASP  55           HA       ASP  55  12.184  -0.921  -2.867
  366   1HB   ASP  55          2HB       ASP  55  11.049   0.766  -0.900
  367   2HB   ASP  55          1HB       ASP  55   9.775   0.417  -2.065
  368    H    ARG  56           H        ARG  56  11.475  -1.363  -4.903
  369    HA   ARG  56           HA       ARG  56  10.252   0.860  -6.455
  370   1HB   ARG  56          2HB       ARG  56  11.589  -1.645  -7.425
  371   2HB   ARG  56          1HB       ARG  56  10.971  -0.355  -8.446
  372   1HG   ARG  56          2HG       ARG  56  13.007   0.169  -6.279
  373   2HG   ARG  56          1HG       ARG  56  13.490  -0.303  -7.909
  374   1HD   ARG  56          2HD       ARG  56  12.954   1.724  -8.786
  375   2HD   ARG  56          1HD       ARG  56  11.485   1.857  -7.820
  376    HE   ARG  56           HE       ARG  56  13.182   2.390  -5.891
  377   1HH1  ARG  56          1HH1      ARG  56  12.323   4.509  -8.040
  378   2HH1  ARG  56          2HH1      ARG  56  13.847   5.296  -8.293
  379   1HH2  ARG  56          1HH2      ARG  56  15.688   2.818  -6.715
  380   2HH2  ARG  56          2HH2      ARG  56  15.751   4.339  -7.541
  381    H    CYS  57           H        CYS  57   8.621   0.098  -8.120
  382    HA   CYS  57           HA       CYS  57   6.900  -2.048  -6.952
  383   1HB   CYS  57          2HB       CYS  57   6.277   0.604  -8.171
  384   2HB   CYS  57          1HB       CYS  57   5.181  -0.721  -8.540
  385    H    THR  58           H        THR  58   5.477  -3.032  -8.788
  386    HA   THR  58           HA       THR  58   7.306  -3.722 -11.013
  387    HB   THR  58           HB       THR  58   5.836  -5.607 -11.414
  388    HG1  THR  58           HG1      THR  58   4.004  -5.747  -9.844
  389   1HG2  THR  58          1HG2      THR  58   6.517  -6.785  -9.589
  390   2HG2  THR  58          2HG2      THR  58   5.765  -5.660  -8.460
  391   3HG2  THR  58          3HG2      THR  58   7.337  -5.282  -9.164
  392    H    GLY  59           H        GLY  59   6.153  -4.011 -13.209
  393   1HA   GLY  59          2HA       GLY  59   4.755  -1.481 -13.774
  394   2HA   GLY  59          1HA       GLY  59   5.360  -2.619 -14.976
  395    H    GLN  60           H        GLN  60   3.427  -3.823 -12.323
  396    HA   GLN  60           HA       GLN  60   0.920  -3.667 -13.829
  397   1HB   GLN  60          2HB       GLN  60   0.718  -6.217 -13.877
  398   2HB   GLN  60          1HB       GLN  60   1.822  -5.498 -15.050
  399   1HG   GLN  60          2HG       GLN  60   3.059  -6.115 -12.446
  400   2HG   GLN  60          1HG       GLN  60   2.498  -7.530 -13.338
  401   1HE2  GLN  60          1HE2      GLN  60   3.367  -7.816 -15.578
  402   2HE2  GLN  60          2HE2      GLN  60   4.857  -7.117 -15.994
  403    H    SER  61           H        SER  61   2.261  -3.373 -10.968
  404    HA   SER  61           HA       SER  61  -0.036  -4.698  -9.582
  405   1HB   SER  61          2HB       SER  61   1.834  -6.009  -8.932
  406   2HB   SER  61          1HB       SER  61   2.864  -4.593  -8.750
  407    HG   SER  61           HG       SER  61   0.863  -5.606  -7.082
  408    H    ALA  62           H        ALA  62  -0.726  -3.611  -7.612
  409    HA   ALA  62           HA       ALA  62  -0.184  -0.680  -7.721
  410   1HB   ALA  62          1HB       ALA  62  -2.382  -0.404  -7.269
  411   2HB   ALA  62          2HB       ALA  62  -2.288  -1.493  -5.886
  412   3HB   ALA  62          3HB       ALA  62  -2.572  -2.142  -7.500
  413    H    ASP  63           H        ASP  63  -0.552  -3.353  -5.366
  414    HA   ASP  63           HA       ASP  63   0.470  -1.769  -3.170
  415   1HB   ASP  63          2HB       ASP  63   0.661  -4.737  -3.177
  416   2HB   ASP  63          1HB       ASP  63   0.208  -3.658  -1.865
  417    H    CYS  64           H        CYS  64   2.557  -2.245  -2.067
  418    HA   CYS  64           HA       CYS  64   4.639  -3.029  -4.062
  419   1HB   CYS  64          2HB       CYS  64   4.883  -0.691  -3.593
  420   2HB   CYS  64          1HB       CYS  64   4.714  -0.961  -1.860
  421    HA   PRO  65           HA       PRO  65   5.616  -6.182  -1.186
  422   1HB   PRO  65          2HB       PRO  65   7.790  -7.089  -2.578
  423   2HB   PRO  65          1HB       PRO  65   6.129  -7.472  -3.027
  424   1HG   PRO  65          2HG       PRO  65   8.065  -5.632  -4.327
  425   2HG   PRO  65          1HG       PRO  65   6.650  -6.443  -5.019
  426   1HD   PRO  65          2HD       PRO  65   6.807  -3.728  -4.203
  427   2HD   PRO  65          1HD       PRO  65   5.338  -4.613  -4.663
  428    H    ARG  66           H        ARG  66   8.091  -7.001  -0.455
  429    HA   ARG  66           HA       ARG  66   9.216  -4.610   0.833
  430   1HB   ARG  66          2HB       ARG  66  10.018  -7.492   1.270
  431   2HB   ARG  66          1HB       ARG  66  10.298  -6.123   2.346
  432   1HG   ARG  66          2HG       ARG  66   7.913  -5.894   2.763
  433   2HG   ARG  66          1HG       ARG  66   7.550  -7.145   1.572
  434   1HD   ARG  66          2HD       ARG  66   9.359  -7.733   3.909
  435   2HD   ARG  66          1HD       ARG  66   7.605  -7.822   4.081
  436    HE   ARG  66           HE       ARG  66   9.259  -9.755   2.712
  437   1HH1  ARG  66          1HH2      ARG  66   6.146  -8.909   3.618
  438   2HH1  ARG  66          2HH2      ARG  66   5.345  -9.826   2.385
  439   1HH2  ARG  66          1HH1      ARG  66   8.271 -10.611   0.698
  440   2HH2  ARG  66          2HH1      ARG  66   6.549 -10.788   0.731
  441    H    TYR  67           H        TYR  67  11.490  -4.113   0.699
  442    HA   TYR  67           HA       TYR  67  13.319  -5.605  -0.924
  443   1HB   TYR  67          2HB       TYR  67  11.506  -4.003  -2.381
  444   2HB   TYR  67          1HB       TYR  67  13.054  -3.162  -2.408
  445    HD1  TYR  67           HD1      TYR  67  15.163  -4.656  -2.887
  446    HD2  TYR  67           HD2      TYR  67  11.133  -5.749  -3.892
  447    HE1  TYR  67           HE1      TYR  67  16.019  -6.271  -4.563
  448    HE2  TYR  67           HE2      TYR  67  11.989  -7.366  -5.567
  449    HH   TYR  67           HH       TYR  67  15.443  -8.035  -5.876
  450    H    HIS  68           HN       HIS  68  13.635  -4.591   1.577
  451    HA   HIS  68           HA       HIS  68  15.735  -2.547   1.133
  452   1HB   HIS  68          2HB       HIS  68  14.745  -1.563   3.433
  453   2HB   HIS  68          1HB       HIS  68  14.217  -0.976   1.856
  454    HD1  HIS  68           HD1      HIS  68  13.237  -4.162   3.718
  455    HD2  HIS  68           HD2      HIS  68  11.474  -0.736   2.127
  456    HE1  HIS  68           HE1      HIS  68  10.736  -4.451   3.992
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1  -5.560 -12.815   2.419
    2   2H    GLY   1          2HT       GLY   1  -6.915 -13.562   3.122
    3   3H    GLY   1          3HT       GLY   1  -6.778 -11.868   3.124
    4   1HA   GLY   1          1HA       GLY   1  -6.577 -12.537   0.481
    5   2HA   GLY   1          2HA       GLY   1  -7.832 -13.600   1.117
    6    H    LYS   2           H        LYS   2  -7.696 -10.900  -0.517
    7    HA   LYS   2           HA       LYS   2 -10.024  -9.715   0.915
    8   1HB   LYS   2          2HB       LYS   2  -9.018  -7.439   0.097
    9   2HB   LYS   2          1HB       LYS   2  -8.393  -8.171   1.575
   10   1HG   LYS   2          2HG       LYS   2  -6.385  -8.744   0.610
   11   2HG   LYS   2          1HG       LYS   2  -7.102  -8.984  -0.985
   12   1HD   LYS   2          2HD       LYS   2  -7.500  -6.392  -0.899
   13   2HD   LYS   2          1HD       LYS   2  -6.232  -6.425   0.329
   14   1HE   LYS   2          2HE       LYS   2  -4.709  -7.540  -1.237
   15   2HE   LYS   2          1HE       LYS   2  -5.977  -7.585  -2.463
   16   1HZ   LYS   2          1HZ       LYS   2  -4.388  -5.715  -2.705
   17   2HZ   LYS   2          2HZ       LYS   2  -4.955  -5.086  -1.232
   18   3HZ   LYS   2          3HZ       LYS   2  -6.005  -5.223  -2.560
   19    H    GLU   3           H        GLU   3 -11.559  -8.753  -0.481
   20    HA   GLU   3           HA       GLU   3 -10.990  -8.927  -3.404
   21   1HB   GLU   3          2HB       GLU   3 -13.573  -9.643  -3.434
   22   2HB   GLU   3          1HB       GLU   3 -12.278 -10.833  -3.320
   23   1HG   GLU   3          2HG       GLU   3 -13.768 -11.439  -1.589
   24   2HG   GLU   3          1HG       GLU   3 -12.495 -10.547  -0.759
   25    H    CYS   4           H        CYS   4 -10.822  -6.574  -2.061
   26    HA   CYS   4           HA       CYS   4 -13.192  -5.127  -3.079
   27   1HB   CYS   4          2HB       CYS   4 -13.350  -5.542  -0.560
   28   2HB   CYS   4          1HB       CYS   4 -12.009  -4.432  -0.436
   29    H    ASP   5           H        ASP   5 -11.227  -5.089  -4.660
   30    HA   ASP   5           HA       ASP   5  -8.868  -3.766  -4.455
   31   1HB   ASP   5          2HB       ASP   5 -10.422  -4.466  -6.562
   32   2HB   ASP   5          1HB       ASP   5 -10.542  -2.709  -6.660
   33    H    CYS   6           H        CYS   6 -12.023  -2.233  -4.071
   34    HA   CYS   6           HA       CYS   6 -10.558   0.354  -3.678
   35   1HB   CYS   6          2HB       CYS   6 -12.637   1.493  -4.330
   36   2HB   CYS   6          1HB       CYS   6 -12.102   0.397  -5.604
   37    H    SER   7           H        SER   7 -11.674   1.830  -2.079
   38    HA   SER   7           HA       SER   7 -13.094   0.281   0.037
   39   1HB   SER   7          2HB       SER   7 -10.474   1.452   0.185
   40   2HB   SER   7          1HB       SER   7 -11.548   2.266   1.317
   41    HG   SER   7           HG       SER   7 -11.410   0.550   2.506
   42    H    SER   8           H        SER   8 -13.343   2.727  -2.098
   43    HA   SER   8           HA       SER   8 -15.035   4.348  -0.243
   44   1HB   SER   8          2HB       SER   8 -14.441   6.022  -2.365
   45   2HB   SER   8          1HB       SER   8 -13.650   6.053  -0.791
   46    HG   SER   8           HG       SER   8 -12.032   4.787  -1.589
   47    HA   PRO   9           HA       PRO   9 -18.139   3.058  -3.174
   48   1HB   PRO   9          2HB       PRO   9 -20.238   4.275  -1.884
   49   2HB   PRO   9          1HB       PRO   9 -19.531   2.735  -1.366
   50   1HG   PRO   9          2HG       PRO   9 -19.244   5.436  -0.139
   51   2HG   PRO   9          1HG       PRO   9 -19.108   3.840   0.617
   52   1HD   PRO   9          2HD       PRO   9 -16.949   5.515  -0.142
   53   2HD   PRO   9          1HD       PRO   9 -16.835   3.806   0.329
   54    H    GLU  10           H        GLU  10 -16.746   6.005  -2.923
   55    HA   GLU  10           HA       GLU  10 -18.685   7.268  -4.824
   56   1HB   GLU  10          2HB       GLU  10 -18.080   9.427  -3.960
   57   2HB   GLU  10          1HB       GLU  10 -18.422   8.409  -2.561
   58   1HG   GLU  10          2HG       GLU  10 -15.678   8.038  -3.211
   59   2HG   GLU  10          1HG       GLU  10 -15.984   9.775  -3.212
   60    H    ASN  11           H        ASN  11 -16.312   5.481  -5.274
   61    HA   ASN  11           HA       ASN  11 -14.547   7.363  -6.729
   62   1HB   ASN  11          2HB       ASN  11 -13.946   5.253  -5.020
   63   2HB   ASN  11          1HB       ASN  11 -13.669   4.585  -6.628
   64   1HD2  ASN  11          1HD2      ASN  11 -11.303   4.636  -5.995
   65   2HD2  ASN  11          2HD2      ASN  11 -10.449   6.093  -6.151
   66    HA   PRO  12           HA       PRO  12 -16.179   5.779 -10.509
   67   1HB   PRO  12          2HB       PRO  12 -14.163   6.659 -12.162
   68   2HB   PRO  12          1HB       PRO  12 -15.413   7.723 -11.491
   69   1HG   PRO  12          2HG       PRO  12 -12.548   7.459 -10.699
   70   2HG   PRO  12          1HG       PRO  12 -13.628   8.856 -10.556
   71   1HD   PRO  12          2HD       PRO  12 -12.905   7.106  -8.455
   72   2HD   PRO  12          1HD       PRO  12 -14.238   8.280  -8.421
   73    H    CYS  13           H        CYS  13 -12.851   5.114  -9.542
   74    HA   CYS  13           HA       CYS  13 -12.688   2.770 -11.348
   75   1HB   CYS  13          2HB       CYS  13 -10.795   4.476  -9.895
   76   2HB   CYS  13          1HB       CYS  13 -10.425   2.759  -9.740
   77    H    CYS  14           H        CYS  14 -14.713   2.576  -9.390
   78    HA   CYS  14           HA       CYS  14 -13.678   0.268  -7.854
   79   1HB   CYS  14          2HB       CYS  14 -13.390   1.904  -6.181
   80   2HB   CYS  14          1HB       CYS  14 -14.832   2.789  -6.665
   81    H    ASP  15           H        ASP  15 -15.398  -1.076  -7.009
   82    HA   ASP  15           HA       ASP  15 -18.034  -0.666  -8.335
   83   1HB   ASP  15          2HB       ASP  15 -16.505  -2.557  -9.237
   84   2HB   ASP  15          1HB       ASP  15 -16.891  -3.365  -7.724
   85    H    ALA  16           H        ALA  16 -19.441  -0.190  -6.723
   86    HA   ALA  16           HA       ALA  16 -18.938  -1.093  -3.990
   87   1HB   ALA  16          1HB       ALA  16 -19.743   1.221  -4.528
   88   2HB   ALA  16          2HB       ALA  16 -20.770   0.368  -3.377
   89   3HB   ALA  16          3HB       ALA  16 -21.267   0.512  -5.063
   90    H    ALA  17           H        ALA  17 -19.969  -2.849  -6.377
   91    HA   ALA  17           HA       ALA  17 -22.266  -4.024  -4.855
   92   1HB   ALA  17          1HB       ALA  17 -23.323  -3.551  -6.847
   93   2HB   ALA  17          2HB       ALA  17 -22.594  -5.089  -7.311
   94   3HB   ALA  17          3HB       ALA  17 -21.819  -3.572  -7.768
   95    H    THR  18           H        THR  18 -19.088  -4.407  -5.917
   96    HA   THR  18           HA       THR  18 -19.128  -7.262  -5.142
   97    HB   THR  18           HB       THR  18 -18.273  -6.096  -7.752
   98    HG1  THR  18           HG1      THR  18 -20.245  -7.470  -7.067
   99   1HG2  THR  18          1HG2      THR  18 -16.237  -7.139  -7.032
  100   2HG2  THR  18          2HG2      THR  18 -17.012  -8.238  -8.173
  101   3HG2  THR  18          3HG2      THR  18 -17.110  -8.554  -6.441
  102    H    CYS  19           H        CYS  19 -17.950  -4.306  -4.512
  103    HA   CYS  19           HA       CYS  19 -15.959  -3.479  -3.568
  104   1HB   CYS  19          2HB       CYS  19 -16.523  -6.035  -2.393
  105   2HB   CYS  19          1HB       CYS  19 -14.794  -5.811  -2.508
  106    H    LYS  20           H        LYS  20 -14.900  -3.044  -5.594
  107    HA   LYS  20           HA       LYS  20 -12.377  -4.323  -5.878
  108   1HB   LYS  20          2HB       LYS  20 -14.598  -5.636  -7.279
  109   2HB   LYS  20          1HB       LYS  20 -13.223  -5.256  -8.319
  110   1HG   LYS  20          2HG       LYS  20 -11.988  -6.226  -6.046
  111   2HG   LYS  20          1HG       LYS  20 -13.431  -7.234  -6.149
  112   1HD   LYS  20          2HD       LYS  20 -12.858  -7.606  -8.597
  113   2HD   LYS  20          1HD       LYS  20 -11.305  -6.837  -8.266
  114   1HE   LYS  20          2HE       LYS  20 -10.998  -9.222  -8.039
  115   2HE   LYS  20          1HE       LYS  20 -10.958  -8.523  -6.421
  116   1HZ   LYS  20          1HZ       LYS  20 -12.693 -10.478  -7.423
  117   2HZ   LYS  20          2HZ       LYS  20 -13.619  -9.098  -7.066
  118   3HZ   LYS  20          3HZ       LYS  20 -12.652  -9.810  -5.864
  119    H    LEU  21           H        LEU  21 -11.831  -4.035  -8.569
  120    HA   LEU  21           HA       LEU  21 -11.880  -1.105  -8.812
  121   1HB   LEU  21          2HB       LEU  21 -10.416  -3.349 -10.034
  122   2HB   LEU  21          1HB       LEU  21 -10.796  -2.032 -11.143
  123    HG   LEU  21           HG       LEU  21  -9.577  -1.494  -8.435
  124   1HD1  LEU  21          1HD1      LEU  21  -8.283  -3.081 -10.178
  125   2HD1  LEU  21          2HD1      LEU  21  -7.446  -1.886  -9.188
  126   3HD1  LEU  21          3HD1      LEU  21  -7.858  -1.511 -10.861
  127   1HD2  LEU  21          1HD2      LEU  21 -10.503   0.063 -10.661
  128   2HD2  LEU  21          2HD2      LEU  21  -8.760   0.281 -10.503
  129   3HD2  LEU  21          3HD2      LEU  21  -9.820   0.629  -9.138
  130    H    ARG  22           H        ARG  22 -12.818   0.022 -10.559
  131    HA   ARG  22           HA       ARG  22 -15.174  -1.211 -11.712
  132   1HB   ARG  22          2HB       ARG  22 -14.671   1.340 -11.285
  133   2HB   ARG  22          1HB       ARG  22 -13.874   1.254 -12.858
  134   1HG   ARG  22          2HG       ARG  22 -15.850   0.832 -13.994
  135   2HG   ARG  22          1HG       ARG  22 -16.617   0.084 -12.593
  136   1HD   ARG  22          2HD       ARG  22 -16.687   2.350 -11.505
  137   2HD   ARG  22          1HD       ARG  22 -16.099   3.040 -13.019
  138    HE   ARG  22           HE       ARG  22 -18.377   1.482 -13.645
  139   1HH1  ARG  22          1HH2      ARG  22 -18.587   3.178 -10.890
  140   2HH1  ARG  22          2HH2      ARG  22 -19.636   4.431 -11.466
  141   1HH2  ARG  22          1HH1      ARG  22 -19.268   3.566 -14.804
  142   2HH2  ARG  22          2HH1      ARG  22 -20.023   4.649 -13.682
  143    HA   PRO  23           HA       PRO  23 -12.897  -3.400 -14.815
  144   1HB   PRO  23          2HB       PRO  23 -15.059  -3.850 -16.493
  145   2HB   PRO  23          1HB       PRO  23 -14.673  -4.822 -15.059
  146   1HG   PRO  23          2HG       PRO  23 -16.714  -2.625 -15.356
  147   2HG   PRO  23          1HG       PRO  23 -16.814  -4.129 -14.418
  148   1HD   PRO  23          2HD       PRO  23 -16.253  -1.714 -13.227
  149   2HD   PRO  23          1HD       PRO  23 -15.612  -3.249 -12.619
  150    H    GLY  24           H        GLY  24 -11.685  -1.543 -15.417
  151   1HA   GLY  24          2HA       GLY  24 -11.951  -0.727 -18.135
  152   2HA   GLY  24          1HA       GLY  24 -12.517   0.581 -17.090
  153    H    ALA  25           H        ALA  25 -10.894   0.675 -15.013
  154    HA   ALA  25           HA       ALA  25  -8.311   1.434 -16.131
  155   1HB   ALA  25          1HB       ALA  25  -7.878   2.375 -13.955
  156   2HB   ALA  25          2HB       ALA  25  -9.201   1.453 -13.242
  157   3HB   ALA  25          3HB       ALA  25  -9.547   2.759 -14.377
  158    H    GLN  26           H        GLN  26  -6.682   0.866 -13.878
  159    HA   GLN  26           HA       GLN  26  -6.692  -2.108 -13.741
  160   1HB   GLN  26          2HB       GLN  26  -4.819  -0.465 -15.171
  161   2HB   GLN  26          1HB       GLN  26  -3.987  -1.281 -13.849
  162   1HG   GLN  26          2HG       GLN  26  -3.862  -2.950 -15.435
  163   2HG   GLN  26          1HG       GLN  26  -5.432  -3.349 -14.736
  164   1HE2  GLN  26          1HE2      GLN  26  -3.898  -1.640 -17.484
  165   2HE2  GLN  26          2HE2      GLN  26  -5.262  -1.706 -18.492
  166    H    CYS  27           H        CYS  27  -6.848   0.638 -12.030
  167    HA   CYS  27           HA       CYS  27  -6.121  -0.621  -9.556
  168   1HB   CYS  27          2HB       CYS  27  -4.183   0.606  -8.923
  169   2HB   CYS  27          1HB       CYS  27  -3.850   0.038 -10.557
  170    H    GLY  28           H        GLY  28  -7.486   0.269  -8.079
  171   1HA   GLY  28          2HA       GLY  28  -8.730   2.875  -8.769
  172   2HA   GLY  28          1HA       GLY  28  -9.398   1.693  -7.647
  173    H    GLU  29           H        GLU  29  -6.417   1.536  -6.633
  174    HA   GLU  29           HA       GLU  29  -5.795   4.051  -5.456
  175   1HB   GLU  29          2HB       GLU  29  -6.644   3.644  -3.153
  176   2HB   GLU  29          1HB       GLU  29  -7.949   3.818  -4.327
  177   1HG   GLU  29          2HG       GLU  29  -8.703   1.879  -3.389
  178   2HG   GLU  29          1HG       GLU  29  -7.521   1.138  -4.467
  179    H    GLY  30           H        GLY  30  -3.704   3.829  -4.829
  180   1HA   GLY  30          2HA       GLY  30  -2.691   1.770  -3.159
  181   2HA   GLY  30          1HA       GLY  30  -2.343   1.330  -4.831
  182    H    LEU  31           H        LEU  31  -0.216   1.873  -3.099
  183    HA   LEU  31           HA       LEU  31   0.645   4.584  -3.067
  184   1HB   LEU  31          2HB       LEU  31   1.840   1.983  -2.578
  185   2HB   LEU  31          1HB       LEU  31   2.982   3.133  -3.246
  186    HG   LEU  31           HG       LEU  31   1.251   3.525  -0.789
  187   1HD1  LEU  31          1HD1      LEU  31   4.116   2.849  -1.292
  188   2HD1  LEU  31          2HD1      LEU  31   3.046   2.306   0.001
  189   3HD1  LEU  31          3HD1      LEU  31   3.753   3.921   0.060
  190   1HD2  LEU  31          1HD2      LEU  31   2.940   5.391  -2.433
  191   2HD2  LEU  31          2HD2      LEU  31   2.810   5.644  -0.692
  192   3HD2  LEU  31          3HD2      LEU  31   1.363   5.677  -1.698
  193    H    CYS  32           H        CYS  32   0.937   2.058  -5.510
  194    HA   CYS  32           HA       CYS  32   2.218   4.069  -7.318
  195   1HB   CYS  32          2HB       CYS  32   2.280   1.165  -8.005
  196   2HB   CYS  32          1HB       CYS  32   3.496   2.410  -8.281
  197    H    CYS  33           H        CYS  33  -0.600   4.051  -6.950
  198    HA   CYS  33           HA       CYS  33  -1.603   2.697  -9.410
  199   1HB   CYS  33          2HB       CYS  33  -2.978   2.159  -7.533
  200   2HB   CYS  33          1HB       CYS  33  -2.999   3.830  -6.976
  201    H    GLU  34           H        GLU  34  -0.945   4.139 -11.017
  202    HA   GLU  34           HA       GLU  34  -1.055   6.975 -10.880
  203   1HB   GLU  34          2HB       GLU  34  -0.223   5.128 -12.737
  204   2HB   GLU  34          1HB       GLU  34  -1.642   5.826 -13.510
  205   1HG   GLU  34          2HG       GLU  34  -0.712   8.103 -13.064
  206   2HG   GLU  34          1HG       GLU  34   0.751   7.339 -12.441
  207    H    GLN  35           H        GLN  35  -2.632   7.981 -12.859
  208    HA   GLN  35           HA       GLN  35  -5.206   8.136 -11.676
  209   1HB   GLN  35          2HB       GLN  35  -4.284   8.727 -14.502
  210   2HB   GLN  35          1HB       GLN  35  -5.900   9.107 -13.912
  211   1HG   GLN  35          2HG       GLN  35  -5.087  10.683 -12.348
  212   2HG   GLN  35          1HG       GLN  35  -3.439  10.060 -12.451
  213   1HE2  GLN  35          1HE2      GLN  35  -2.132  10.701 -14.299
  214   2HE2  GLN  35          2HE2      GLN  35  -2.618  11.944 -15.349
  215    H    CYS  36           H        CYS  36  -5.942   5.971 -11.328
  216    HA   CYS  36           HA       CYS  36  -6.963   3.938 -11.904
  217   1HB   CYS  36          2HB       CYS  36  -7.893   5.874 -14.012
  218   2HB   CYS  36          1HB       CYS  36  -8.370   4.183 -14.096
  219    H    LYS  37           H        LYS  37  -4.296   3.906 -12.504
  220    HA   LYS  37           HA       LYS  37  -4.226   2.062 -14.787
  221   1HB   LYS  37          2HB       LYS  37  -3.191   4.831 -14.934
  222   2HB   LYS  37          1HB       LYS  37  -2.065   3.585 -15.475
  223   1HG   LYS  37          2HG       LYS  37  -4.304   2.705 -16.696
  224   2HG   LYS  37          1HG       LYS  37  -4.661   4.432 -16.654
  225   1HD   LYS  37          2HD       LYS  37  -3.266   4.759 -18.385
  226   2HD   LYS  37          1HD       LYS  37  -1.930   4.131 -17.418
  227   1HE   LYS  37          2HE       LYS  37  -3.717   2.036 -18.437
  228   2HE   LYS  37          1HE       LYS  37  -2.909   2.950 -19.710
  229   1HZ   LYS  37          1HZ       LYS  37  -1.811   1.093 -17.810
  230   2HZ   LYS  37          2HZ       LYS  37  -0.937   2.546 -17.908
  231   3HZ   LYS  37          3HZ       LYS  37  -1.194   1.610 -19.303
  232    H    PHE  38           H        PHE  38  -2.529   0.581 -14.555
  233    HA   PHE  38           HA       PHE  38  -1.265   0.391 -11.980
  234   1HB   PHE  38          2HB       PHE  38  -1.024  -1.071 -14.584
  235   2HB   PHE  38          1HB       PHE  38   0.227  -1.309 -13.366
  236    HD1  PHE  38           HD1      PHE  38  -2.234  -3.094 -14.544
  237    HD2  PHE  38           HD2      PHE  38  -1.371  -1.063 -10.858
  238    HE1  PHE  38           HE1      PHE  38  -3.718  -4.667 -13.329
  239    HE2  PHE  38           HE2      PHE  38  -2.853  -2.635  -9.644
  240    HZ   PHE  38           HZ       PHE  38  -4.027  -4.438 -10.879
  241    H    SER  39           H        SER  39   0.566   1.388 -11.281
  242    HA   SER  39           HA       SER  39   2.015   3.230 -12.940
  243   1HB   SER  39          2HB       SER  39   3.606   3.335 -11.045
  244   2HB   SER  39          1HB       SER  39   1.939   3.449 -10.487
  245    HG   SER  39           HG       SER  39   3.828   1.545 -10.004
  246    H    ARG  40           H        ARG  40   4.382   2.991 -13.464
  247    HA   ARG  40           HA       ARG  40   4.841   0.379 -14.670
  248   1HB   ARG  40          2HB       ARG  40   6.744   1.397 -15.733
  249   2HB   ARG  40          1HB       ARG  40   5.443   2.589 -15.763
  250   1HG   ARG  40          2HG       ARG  40   6.384   3.609 -13.688
  251   2HG   ARG  40          1HG       ARG  40   7.731   2.475 -13.776
  252   1HD   ARG  40          2HD       ARG  40   7.823   3.452 -16.289
  253   2HD   ARG  40          1HD       ARG  40   7.149   4.855 -15.460
  254    HE   ARG  40           HE       ARG  40   9.850   3.746 -15.063
  255   1HH1  ARG  40          1HH1      ARG  40   7.488   4.975 -13.037
  256   2HH1  ARG  40          2HH1      ARG  40   8.416   6.324 -12.472
  257   1HH2  ARG  40          1HH2      ARG  40  10.986   5.847 -14.752
  258   2HH2  ARG  40          2HH2      ARG  40  10.397   6.818 -13.444
  259    H    ALA  41           H        ALA  41   6.515  -1.070 -14.076
  260    HA   ALA  41           HA       ALA  41   7.118  -1.327 -11.329
  261   1HB   ALA  41          1HB       ALA  41   9.037  -2.336 -13.412
  262   2HB   ALA  41          2HB       ALA  41   7.409  -3.012 -13.327
  263   3HB   ALA  41          3HB       ALA  41   8.485  -3.126 -11.934
  264    H    GLY  42           H        GLY  42   9.683  -1.498 -10.738
  265   1HA   GLY  42          2HA       GLY  42  11.585  -0.246 -10.192
  266   2HA   GLY  42          1HA       GLY  42  11.435   0.482 -11.790
  267    H    LYS  43           H        LYS  43   8.640   0.759  -9.817
  268    HA   LYS  43           HA       LYS  43   9.111   3.657  -9.588
  269   1HB   LYS  43          2HB       LYS  43   6.910   3.166 -10.320
  270   2HB   LYS  43          1HB       LYS  43   6.721   1.870  -9.141
  271   1HG   LYS  43          2HG       LYS  43   5.448   3.718  -8.297
  272   2HG   LYS  43          1HG       LYS  43   6.912   3.666  -7.329
  273   1HD   LYS  43          2HD       LYS  43   7.655   5.655  -8.122
  274   2HD   LYS  43          1HD       LYS  43   7.173   5.276  -9.776
  275   1HE   LYS  43          2HE       LYS  43   5.461   6.718  -9.500
  276   2HE   LYS  43          1HE       LYS  43   4.757   5.543  -8.390
  277   1HZ   LYS  43          1HZ       LYS  43   5.087   7.839  -7.477
  278   2HZ   LYS  43          2HZ       LYS  43   6.762   7.556  -7.544
  279   3HZ   LYS  43          3HZ       LYS  43   5.773   6.589  -6.557
  280    H    ILE  44           H        ILE  44   9.844   4.570  -7.679
  281    HA   ILE  44           HA       ILE  44  10.224   2.800  -5.381
  282    HB   ILE  44           HB       ILE  44  11.483   5.119  -6.328
  283   1HG1  ILE  44          2HG1      ILE  44  12.429   3.130  -5.121
  284   2HG1  ILE  44          1HG1      ILE  44  13.042   4.677  -4.533
  285   1HG2  ILE  44          1HG2      ILE  44   9.960   6.595  -5.183
  286   2HG2  ILE  44          2HG2      ILE  44  11.464   6.559  -4.260
  287   3HG2  ILE  44          3HG2      ILE  44  10.066   5.638  -3.706
  288   1HD1  ILE  44          1HD1      ILE  44  10.577   3.742  -3.202
  289   2HD1  ILE  44          2HD1      ILE  44  12.034   4.450  -2.504
  290   3HD1  ILE  44          3HD1      ILE  44  11.997   2.736  -2.916
  291    H    CYS  45           H        CYS  45   8.443   2.279  -4.283
  292    HA   CYS  45           HA       CYS  45   6.236   4.213  -3.898
  293   1HB   CYS  45          2HB       CYS  45   5.183   2.264  -2.701
  294   2HB   CYS  45          1HB       CYS  45   5.586   1.945  -4.383
  295    H    ARG  46           H        ARG  46   8.985   2.958  -2.201
  296    HA   ARG  46           HA       ARG  46   8.352   4.716   0.073
  297   1HB   ARG  46          2HB       ARG  46   7.802   1.898   0.145
  298   2HB   ARG  46          1HB       ARG  46   9.107   2.257   1.277
  299   1HG   ARG  46          2HG       ARG  46   7.753   4.012   2.325
  300   2HG   ARG  46          1HG       ARG  46   6.459   3.736   1.158
  301   1HD   ARG  46          2HD       ARG  46   6.202   1.425   1.982
  302   2HD   ARG  46          1HD       ARG  46   7.500   1.695   3.146
  303    HE   ARG  46           HE       ARG  46   5.653   3.721   3.656
  304   1HH1  ARG  46          1HH1      ARG  46   4.301   0.927   2.669
  305   2HH1  ARG  46          2HH1      ARG  46   3.651   0.440   4.197
  306   1HH2  ARG  46          1HH2      ARG  46   5.400   2.831   6.002
  307   2HH2  ARG  46          2HH2      ARG  46   4.273   1.518   6.087
  308    H    ILE  47           H        ILE  47  10.178   5.262   1.306
  309    HA   ILE  47           HA       ILE  47  12.773   4.500   0.072
  310    HB   ILE  47           HB       ILE  47  12.287   6.916   0.350
  311   1HG1  ILE  47          2HG1      ILE  47  14.355   7.512   1.623
  312   2HG1  ILE  47          1HG1      ILE  47  14.465   5.842   2.176
  313   1HG2  ILE  47          1HG2      ILE  47  11.296   6.026   2.865
  314   2HG2  ILE  47          2HG2      ILE  47  11.271   7.663   2.210
  315   3HG2  ILE  47          3HG2      ILE  47  12.636   7.127   3.189
  316   1HD1  ILE  47          1HD1      ILE  47  14.680   6.870  -0.662
  317   2HD1  ILE  47          2HD1      ILE  47  14.462   5.162  -0.284
  318   3HD1  ILE  47          3HD1      ILE  47  15.906   6.010   0.269
  319    H    ALA  48           H        ALA  48  14.595   4.050   1.647
  320    HA   ALA  48           HA       ALA  48  13.549   2.584   4.003
  321   1HB   ALA  48          1HB       ALA  48  15.783   1.970   2.103
  322   2HB   ALA  48          2HB       ALA  48  14.440   0.938   2.597
  323   3HB   ALA  48          3HB       ALA  48  15.756   1.269   3.722
  324    H    ARG  49           H        ARG  49  14.286   3.151   5.967
  325    HA   ARG  49           HA       ARG  49  16.729   4.865   6.087
  326   1HB   ARG  49          2HB       ARG  49  15.674   5.982   8.031
  327   2HB   ARG  49          1HB       ARG  49  14.847   6.299   6.511
  328   1HG   ARG  49          2HG       ARG  49  13.748   3.913   7.644
  329   2HG   ARG  49          1HG       ARG  49  13.760   5.157   8.895
  330   1HD   ARG  49          2HD       ARG  49  12.505   6.672   7.525
  331   2HD   ARG  49          1HD       ARG  49  12.719   5.660   6.097
  332    HE   ARG  49           HE       ARG  49  11.361   4.223   8.212
  333   1HH1  ARG  49          1HH2      ARG  49  11.058   6.463   5.602
  334   2HH1  ARG  49          2HH2      ARG  49   9.357   6.205   5.408
  335   1HH2  ARG  49          1HH1      ARG  49   9.130   3.930   8.013
  336   2HH2  ARG  49          2HH1      ARG  49   8.266   4.774   6.771
  337    H    GLY  50           H        GLY  50  15.253   2.020   7.046
  338   1HA   GLY  50          2HA       GLY  50  17.077   1.726   9.373
  339   2HA   GLY  50          1HA       GLY  50  15.539   0.864   9.241
  340    H    ASP  51           H        ASP  51  15.465  -0.991   7.925
  341    HA   ASP  51           HA       ASP  51  17.910  -2.253   7.111
  342   1HB   ASP  51          2HB       ASP  51  15.042  -2.712   6.810
  343   2HB   ASP  51          1HB       ASP  51  15.962  -3.214   5.403
  344    H    TRP  52           H        TRP  52  18.010  -2.682   4.404
  345    HA   TRP  52           HA       TRP  52  17.119  -0.177   3.180
  346   1HB   TRP  52          2HB       TRP  52  19.990  -0.872   3.587
  347   2HB   TRP  52          1HB       TRP  52  19.483   0.193   2.261
  348    HD1  TRP  52           HD1      TRP  52  17.405   1.998   3.238
  349    HE1  TRP  52           HE1      TRP  52  17.620   3.544   5.252
  350    HE3  TRP  52           HE3      TRP  52  21.086  -0.409   5.794
  351    HZ2  TRP  52           HZ2      TRP  52  19.089   3.749   7.628
  352    HZ3  TRP  52           HZ3      TRP  52  21.875   0.491   7.978
  353    HH2  TRP  52           HH2      TRP  52  20.869   2.573   8.904
  354    H    ASN  53           H        ASN  53  15.920  -0.906   1.726
  355    HA   ASN  53           HA       ASN  53  16.944  -2.072  -0.702
  356   1HB   ASN  53          2HB       ASN  53  16.379  -4.007   1.126
  357   2HB   ASN  53          1HB       ASN  53  14.771  -3.763   0.441
  358   1HD2  ASN  53          1HD2      ASN  53  14.408  -5.208  -1.244
  359   2HD2  ASN  53          2HD2      ASN  53  15.577  -5.715  -2.368
  360    H    ASP  54           H        ASP  54  15.979  -0.130  -1.480
  361    HA   ASP  54           HA       ASP  54  13.435   0.859  -0.794
  362   1HB   ASP  54          2HB       ASP  54  13.546   1.780  -3.269
  363   2HB   ASP  54          1HB       ASP  54  14.683   2.365  -2.055
  364    H    ASP  55           H        ASP  55  11.403   0.222  -1.253
  365    HA   ASP  55           HA       ASP  55  10.959  -2.208  -2.800
  366   1HB   ASP  55          2HB       ASP  55   9.428  -0.517  -0.967
  367   2HB   ASP  55          1HB       ASP  55   8.466  -1.191  -2.280
  368    H    ARG  56           H        ARG  56  10.975  -2.048  -5.010
  369    HA   ARG  56           HA       ARG  56   9.932   0.447  -6.233
  370   1HB   ARG  56          2HB       ARG  56  11.694  -1.746  -7.266
  371   2HB   ARG  56          1HB       ARG  56  11.014  -0.513  -8.321
  372   1HG   ARG  56          2HG       ARG  56  12.171   0.714  -5.974
  373   2HG   ARG  56          1HG       ARG  56  13.363  -0.318  -6.764
  374   1HD   ARG  56          2HD       ARG  56  12.852   0.794  -8.931
  375   2HD   ARG  56          1HD       ARG  56  11.732   1.866  -8.092
  376    HE   ARG  56           HE       ARG  56  13.811   2.574  -6.731
  377   1HH1  ARG  56          1HH2      ARG  56  13.438   2.534 -10.051
  378   2HH1  ARG  56          2HH2      ARG  56  15.106   2.812 -10.426
  379   1HH2  ARG  56          1HH1      ARG  56  16.184   2.415  -7.157
  380   2HH2  ARG  56          2HH1      ARG  56  16.659   2.744  -8.789
  381    H    CYS  57           H        CYS  57   7.724   0.174  -6.438
  382    HA   CYS  57           HA       CYS  57   6.107  -1.999  -6.724
  383   1HB   CYS  57          2HB       CYS  57   5.651   0.080  -8.830
  384   2HB   CYS  57          1HB       CYS  57   4.494  -0.681  -7.747
  385    H    THR  58           H        THR  58   5.393  -3.357  -8.445
  386    HA   THR  58           HA       THR  58   7.473  -3.869 -10.473
  387    HB   THR  58           HB       THR  58   6.471  -5.976 -10.756
  388    HG1  THR  58           HG1      THR  58   4.379  -6.236 -10.759
  389   1HG2  THR  58          1HG2      THR  58   5.343  -5.945  -8.096
  390   2HG2  THR  58          2HG2      THR  58   6.836  -5.008  -8.131
  391   3HG2  THR  58          3HG2      THR  58   6.840  -6.691  -8.655
  392    H    GLY  59           H        GLY  59   5.899  -4.882 -12.556
  393   1HA   GLY  59          2HA       GLY  59   4.983  -2.374 -13.778
  394   2HA   GLY  59          1HA       GLY  59   5.104  -3.937 -14.587
  395    H    GLN  60           H        GLN  60   3.570  -5.029 -12.105
  396    HA   GLN  60           HA       GLN  60   0.864  -4.054 -12.919
  397   1HB   GLN  60          2HB       GLN  60   1.524  -6.927 -12.222
  398   2HB   GLN  60          1HB       GLN  60   0.023  -6.303 -12.909
  399   1HG   GLN  60          2HG       GLN  60   1.812  -5.415 -14.756
  400   2HG   GLN  60          1HG       GLN  60   2.600  -6.906 -14.239
  401   1HE2  GLN  60          1HE2      GLN  60   2.071  -8.416 -15.845
  402   2HE2  GLN  60          2HE2      GLN  60   0.495  -8.723 -16.394
  403    H    SER  61           H        SER  61   2.521  -3.275 -10.637
  404    HA   SER  61           HA       SER  61   0.880  -4.410  -8.408
  405   1HB   SER  61          2HB       SER  61   2.807  -4.684  -7.269
  406   2HB   SER  61          1HB       SER  61   3.698  -4.135  -8.685
  407    HG   SER  61           HG       SER  61   3.975  -2.900  -6.669
  408    H    ALA  62           H        ALA  62  -0.653  -2.985  -7.734
  409    HA   ALA  62           HA       ALA  62  -0.265  -0.101  -8.297
  410   1HB   ALA  62          1HB       ALA  62  -2.702  -0.098  -7.290
  411   2HB   ALA  62          2HB       ALA  62  -2.618  -1.831  -7.607
  412   3HB   ALA  62          3HB       ALA  62  -2.428  -0.681  -8.931
  413    H    ASP  63           H        ASP  63   0.104  -2.309  -5.727
  414    HA   ASP  63           HA       ASP  63  -0.048  -0.082  -3.743
  415   1HB   ASP  63          2HB       ASP  63   0.014  -3.007  -3.091
  416   2HB   ASP  63          1HB       ASP  63  -0.459  -1.679  -2.041
  417    H    CYS  64           H        CYS  64   1.524  -1.209  -1.740
  418    HA   CYS  64           HA       CYS  64   4.108  -1.940  -2.956
  419   1HB   CYS  64          2HB       CYS  64   4.270   0.463  -3.060
  420   2HB   CYS  64          1HB       CYS  64   3.684   0.628  -1.407
  421    HA   PRO  65           HA       PRO  65   4.228  -4.186   0.796
  422   1HB   PRO  65          2HB       PRO  65   6.714  -5.241   0.358
  423   2HB   PRO  65          1HB       PRO  65   5.258  -5.849  -0.428
  424   1HG   PRO  65          2HG       PRO  65   7.487  -4.233  -1.552
  425   2HG   PRO  65          1HG       PRO  65   6.352  -5.312  -2.382
  426   1HD   PRO  65          2HD       PRO  65   6.232  -2.482  -2.316
  427   2HD   PRO  65          1HD       PRO  65   4.963  -3.581  -2.899
  428    H    ARG  66           H        ARG  66   6.735  -4.644   2.117
  429    HA   ARG  66           HA       ARG  66   8.051  -2.089   2.560
  430   1HB   ARG  66          2HB       ARG  66   7.438  -2.029   5.006
  431   2HB   ARG  66          1HB       ARG  66   6.095  -1.673   3.920
  432   1HG   ARG  66          2HG       ARG  66   6.073  -4.463   4.191
  433   2HG   ARG  66          1HG       ARG  66   6.386  -3.854   5.816
  434   1HD   ARG  66          2HD       ARG  66   4.403  -2.164   4.734
  435   2HD   ARG  66          1HD       ARG  66   3.921  -3.806   4.309
  436    HE   ARG  66           HE       ARG  66   3.951  -4.354   6.715
  437   1HH1  ARG  66          1HH2      ARG  66   2.363  -1.688   6.029
  438   2HH1  ARG  66          2HH2      ARG  66   2.719  -0.790   7.468
  439   1HH2  ARG  66          1HH1      ARG  66   5.253  -2.923   8.491
  440   2HH2  ARG  66          2HH1      ARG  66   4.354  -1.489   8.861
  441    H    TYR  67           H        TYR  67  10.142  -2.656   2.892
  442    HA   TYR  67           HA       TYR  67  10.678  -5.250   4.222
  443   1HB   TYR  67          2HB       TYR  67  11.782  -3.982   1.838
  444   2HB   TYR  67          1HB       TYR  67  13.020  -4.570   2.945
  445    HD1  TYR  67           HD1      TYR  67   9.704  -5.681   1.569
  446    HD2  TYR  67           HD2      TYR  67  13.705  -6.778   2.682
  447    HE1  TYR  67           HE1      TYR  67   9.282  -8.001   0.798
  448    HE2  TYR  67           HE2      TYR  67  13.282  -9.099   1.913
  449    HH   TYR  67           HH       TYR  67  11.748 -10.251   0.306
  450    H    HIS  68           HN       HIS  68  11.124  -1.847   4.343
  451    HA   HIS  68           HA       HIS  68  13.163  -2.167   6.508
  452   1HB   HIS  68          2HB       HIS  68  13.233   0.486   5.997
  453   2HB   HIS  68          1HB       HIS  68  14.241  -0.674   5.134
  454    HD1  HIS  68           HD1      HIS  68  13.154  -1.601   2.812
  455    HD2  HIS  68           HD2      HIS  68  11.480   1.887   4.363
  456    HE1  HIS  68           HE1      HIS  68  11.845  -0.534   0.924
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1  -9.192 -15.112   0.149
    2   2H    GLY   1          2HT       GLY   1 -10.545 -15.429   1.129
    3   3H    GLY   1          3HT       GLY   1  -9.650 -14.001   1.346
    4   1HA   GLY   1          1HA       GLY   1 -10.752 -14.435  -1.312
    5   2HA   GLY   1          2HA       GLY   1 -11.907 -14.077  -0.029
    6    H    LYS   2           H        LYS   2 -11.993 -11.984   0.785
    7    HA   LYS   2           HA       LYS   2 -11.618  -9.669   0.843
    8   1HB   LYS   2          2HB       LYS   2  -9.276 -10.760   1.529
    9   2HB   LYS   2          1HB       LYS   2  -8.775 -10.038  -0.001
   10   1HG   LYS   2          2HG       LYS   2 -10.377  -8.125   1.388
   11   2HG   LYS   2          1HG       LYS   2  -9.167  -8.740   2.514
   12   1HD   LYS   2          2HD       LYS   2  -7.708  -8.416   0.193
   13   2HD   LYS   2          1HD       LYS   2  -8.817  -7.045   0.142
   14   1HE   LYS   2          2HE       LYS   2  -7.884  -6.049   1.974
   15   2HE   LYS   2          1HE       LYS   2  -7.572  -7.588   2.777
   16   1HZ   LYS   2          1HZ       LYS   2  -6.011  -6.393   0.554
   17   2HZ   LYS   2          2HZ       LYS   2  -5.757  -7.956   1.167
   18   3HZ   LYS   2          3HZ       LYS   2  -5.501  -6.601   2.158
   19    H    GLU   3           H        GLU   3 -12.835  -9.075  -0.986
   20    HA   GLU   3           HA       GLU   3 -11.265  -8.800  -3.519
   21   1HB   GLU   3          2HB       GLU   3 -13.432  -8.973  -4.716
   22   2HB   GLU   3          1HB       GLU   3 -13.094 -10.422  -3.769
   23   1HG   GLU   3          2HG       GLU   3 -14.428  -8.697  -2.002
   24   2HG   GLU   3          1HG       GLU   3 -15.303  -8.556  -3.527
   25    H    CYS   4           H        CYS   4 -11.147  -6.807  -1.544
   26    HA   CYS   4           HA       CYS   4 -13.017  -4.714  -2.524
   27   1HB   CYS   4          2HB       CYS   4 -11.448  -5.081  -0.019
   28   2HB   CYS   4          1HB       CYS   4 -11.818  -3.441  -0.539
   29    H    ASP   5           H        ASP   5 -11.704  -4.651  -4.571
   30    HA   ASP   5           HA       ASP   5  -9.030  -4.063  -4.893
   31   1HB   ASP   5          2HB       ASP   5 -10.544  -4.171  -6.800
   32   2HB   ASP   5          1HB       ASP   5 -11.357  -2.697  -6.273
   33    H    CYS   6           H        CYS   6 -11.541  -1.856  -3.734
   34    HA   CYS   6           HA       CYS   6  -9.424  -0.144  -2.588
   35   1HB   CYS   6          2HB       CYS   6 -11.113   1.794  -3.583
   36   2HB   CYS   6          1HB       CYS   6  -9.564   1.348  -4.291
   37    H    SER   7           H        SER   7 -10.158   0.995  -0.760
   38    HA   SER   7           HA       SER   7 -12.795   0.085   0.254
   39   1HB   SER   7          2HB       SER   7 -11.540   1.563   2.259
   40   2HB   SER   7          1HB       SER   7 -11.547  -0.192   2.111
   41    HG   SER   7           HG       SER   7  -9.514  -0.088   1.622
   42    H    SER   8           H        SER   8 -12.904   2.065  -1.775
   43    HA   SER   8           HA       SER   8 -14.154   4.257  -0.218
   44   1HB   SER   8          2HB       SER   8 -13.025   5.660  -2.291
   45   2HB   SER   8          1HB       SER   8 -12.372   5.588  -0.656
   46    HG   SER   8           HG       SER   8 -11.778   3.572  -2.531
   47    HA   PRO   9           HA       PRO   9 -17.020   3.165  -3.504
   48   1HB   PRO   9          2HB       PRO   9 -19.178   4.390  -2.317
   49   2HB   PRO   9          1HB       PRO   9 -18.612   2.766  -1.885
   50   1HG   PRO   9          2HG       PRO   9 -18.304   5.324  -0.383
   51   2HG   PRO   9          1HG       PRO   9 -18.345   3.661   0.227
   52   1HD   PRO   9          2HD       PRO   9 -16.020   5.234  -0.129
   53   2HD   PRO   9          1HD       PRO   9 -16.061   3.480   0.148
   54    H    GLU  10           H        GLU  10 -16.147   6.282  -2.241
   55    HA   GLU  10           HA       GLU  10 -17.637   7.816  -4.241
   56   1HB   GLU  10          2HB       GLU  10 -15.736   8.415  -2.021
   57   2HB   GLU  10          1HB       GLU  10 -15.841   9.593  -3.330
   58   1HG   GLU  10          2HG       GLU  10 -18.502   8.854  -2.736
   59   2HG   GLU  10          1HG       GLU  10 -17.707   9.111  -1.181
   60    H    ASN  11           H        ASN  11 -14.528   6.302  -3.953
   61    HA   ASN  11           HA       ASN  11 -13.067   7.759  -5.897
   62   1HB   ASN  11          2HB       ASN  11 -11.758   6.283  -4.655
   63   2HB   ASN  11          1HB       ASN  11 -12.941   4.984  -4.766
   64   1HD2  ASN  11          1HD2      ASN  11 -11.171   3.547  -5.517
   65   2HD2  ASN  11          2HD2      ASN  11 -10.620   3.639  -7.119
   66    HA   PRO  12           HA       PRO  12 -15.356   6.528  -9.503
   67   1HB   PRO  12          2HB       PRO  12 -13.684   7.718 -11.331
   68   2HB   PRO  12          1HB       PRO  12 -14.867   8.609 -10.357
   69   1HG   PRO  12          2HG       PRO  12 -11.903   8.485 -10.060
   70   2HG   PRO  12          1HG       PRO  12 -13.027   9.764  -9.572
   71   1HD   PRO  12          2HD       PRO  12 -11.856   7.837  -7.858
   72   2HD   PRO  12          1HD       PRO  12 -13.211   8.911  -7.454
   73    H    CYS  13           H        CYS  13 -13.410   4.592  -8.381
   74    HA   CYS  13           HA       CYS  13 -12.801   3.157 -10.882
   75   1HB   CYS  13          2HB       CYS  13 -10.791   4.571  -9.468
   76   2HB   CYS  13          1HB       CYS  13 -10.540   2.857  -9.145
   77    H    CYS  14           H        CYS  14 -14.398   3.065  -8.180
   78    HA   CYS  14           HA       CYS  14 -13.638   0.245  -7.540
   79   1HB   CYS  14          2HB       CYS  14 -13.668   2.425  -5.798
   80   2HB   CYS  14          1HB       CYS  14 -15.196   1.606  -5.479
   81    H    ASP  15           H        ASP  15 -15.524  -1.037  -6.731
   82    HA   ASP  15           HA       ASP  15 -18.114  -0.096  -7.853
   83   1HB   ASP  15          2HB       ASP  15 -16.627  -1.892  -9.201
   84   2HB   ASP  15          1HB       ASP  15 -17.479  -2.969  -8.102
   85    H    ALA  16           H        ALA  16 -19.177   0.170  -5.923
   86    HA   ALA  16           HA       ALA  16 -18.792  -1.312  -3.555
   87   1HB   ALA  16          1HB       ALA  16 -21.571  -0.447  -4.097
   88   2HB   ALA  16          2HB       ALA  16 -20.349   0.815  -4.250
   89   3HB   ALA  16          3HB       ALA  16 -20.521  -0.069  -2.732
   90    H    ALA  17           H        ALA  17 -20.395  -2.199  -6.488
   91    HA   ALA  17           HA       ALA  17 -22.234  -4.134  -5.504
   92   1HB   ALA  17          1HB       ALA  17 -20.837  -4.894  -7.982
   93   2HB   ALA  17          2HB       ALA  17 -21.471  -3.248  -8.002
   94   3HB   ALA  17          3HB       ALA  17 -22.555  -4.608  -7.704
   95    H    THR  18           H        THR  18 -18.772  -4.365  -6.268
   96    HA   THR  18           HA       THR  18 -18.701  -6.872  -4.662
   97    HB   THR  18           HB       THR  18 -17.855  -8.154  -6.335
   98    HG1  THR  18           HG1      THR  18 -16.421  -6.971  -7.956
   99   1HG2  THR  18          1HG2      THR  18 -18.562  -5.906  -8.224
  100   2HG2  THR  18          2HG2      THR  18 -19.799  -6.852  -7.395
  101   3HG2  THR  18          3HG2      THR  18 -18.678  -7.645  -8.503
  102    H    CYS  19           H        CYS  19 -17.893  -3.970  -4.269
  103    HA   CYS  19           HA       CYS  19 -16.056  -2.794  -3.351
  104   1HB   CYS  19          2HB       CYS  19 -16.318  -5.125  -1.995
  105   2HB   CYS  19          1HB       CYS  19 -14.693  -5.286  -2.606
  106    H    LYS  20           H        LYS  20 -15.789  -4.202  -6.178
  107    HA   LYS  20           HA       LYS  20 -12.806  -3.940  -6.206
  108   1HB   LYS  20          2HB       LYS  20 -14.541  -6.068  -7.161
  109   2HB   LYS  20          1HB       LYS  20 -13.460  -5.479  -8.426
  110   1HG   LYS  20          2HG       LYS  20 -11.691  -5.591  -6.418
  111   2HG   LYS  20          1HG       LYS  20 -12.812  -6.822  -5.838
  112   1HD   LYS  20          2HD       LYS  20 -12.614  -7.534  -8.455
  113   2HD   LYS  20          1HD       LYS  20 -11.001  -6.874  -8.180
  114   1HE   LYS  20          2HE       LYS  20 -10.645  -8.364  -6.303
  115   2HE   LYS  20          1HE       LYS  20 -12.312  -8.932  -6.383
  116   1HZ   LYS  20          1HZ       LYS  20 -10.110  -9.950  -7.727
  117   2HZ   LYS  20          2HZ       LYS  20 -11.089  -9.216  -8.905
  118   3HZ   LYS  20          3HZ       LYS  20 -11.730 -10.421  -7.893
  119    H    LEU  21           H        LEU  21 -11.940  -3.431  -8.417
  120    HA   LEU  21           HA       LEU  21 -12.534  -0.943  -9.328
  121   1HB   LEU  21          2HB       LEU  21 -11.535  -3.372 -10.764
  122   2HB   LEU  21          1HB       LEU  21 -11.869  -1.910 -11.693
  123    HG   LEU  21           HG       LEU  21 -10.112  -1.992  -9.228
  124   1HD1  LEU  21          1HD1      LEU  21  -8.464  -1.399 -11.318
  125   2HD1  LEU  21          2HD1      LEU  21  -9.575  -2.533 -12.086
  126   3HD1  LEU  21          3HD1      LEU  21  -8.663  -3.022 -10.657
  127   1HD2  LEU  21          1HD2      LEU  21 -10.266   0.246  -9.339
  128   2HD2  LEU  21          2HD2      LEU  21 -11.329   0.122 -10.741
  129   3HD2  LEU  21          3HD2      LEU  21  -9.580   0.196 -10.962
  130    H    ARG  22           H        ARG  22 -14.224   0.058 -10.267
  131    HA   ARG  22           HA       ARG  22 -16.524  -1.556 -11.135
  132   1HB   ARG  22          2HB       ARG  22 -17.424   0.253 -10.073
  133   2HB   ARG  22          1HB       ARG  22 -16.036   1.278 -10.411
  134   1HG   ARG  22          2HG       ARG  22 -16.872   1.959 -12.468
  135   2HG   ARG  22          1HG       ARG  22 -17.808   0.482 -12.693
  136   1HD   ARG  22          2HD       ARG  22 -18.856   1.675 -10.373
  137   2HD   ARG  22          1HD       ARG  22 -18.631   2.999 -11.516
  138    HE   ARG  22           HE       ARG  22 -20.785   1.301 -11.693
  139   1HH1  ARG  22          1HH1      ARG  22 -20.033   3.300 -13.846
  140   2HH1  ARG  22          2HH1      ARG  22 -19.901   2.273 -15.235
  141   1HH2  ARG  22          1HH2      ARG  22 -19.742  -0.656 -13.390
  142   2HH2  ARG  22          2HH2      ARG  22 -19.738   0.036 -14.978
  143    HA   PRO  23           HA       PRO  23 -15.397   0.499 -15.289
  144   1HB   PRO  23          2HB       PRO  23 -13.120   2.031 -15.400
  145   2HB   PRO  23          1HB       PRO  23 -14.717   2.681 -14.987
  146   1HG   PRO  23          2HG       PRO  23 -12.389   2.157 -13.208
  147   2HG   PRO  23          1HG       PRO  23 -13.730   3.294 -12.995
  148   1HD   PRO  23          2HD       PRO  23 -13.444   0.762 -11.732
  149   2HD   PRO  23          1HD       PRO  23 -14.890   1.794 -11.716
  150    H    GLY  24           H        GLY  24 -13.128   0.544 -16.813
  151   1HA   GLY  24          2HA       GLY  24 -12.029  -2.171 -16.387
  152   2HA   GLY  24          1HA       GLY  24 -11.881  -1.219 -17.864
  153    H    ALA  25           H        ALA  25 -11.249   0.430 -14.908
  154    HA   ALA  25           HA       ALA  25  -8.613   1.186 -15.637
  155   1HB   ALA  25          1HB       ALA  25  -9.835   2.483 -14.009
  156   2HB   ALA  25          2HB       ALA  25  -8.401   1.837 -13.213
  157   3HB   ALA  25          3HB       ALA  25  -9.974   1.092 -12.934
  158    H    GLN  26           H        GLN  26  -6.681   0.657 -14.083
  159    HA   GLN  26           HA       GLN  26  -6.545  -2.310 -13.893
  160   1HB   GLN  26          2HB       GLN  26  -4.682  -0.222 -14.688
  161   2HB   GLN  26          1HB       GLN  26  -3.977  -1.338 -13.518
  162   1HG   GLN  26          2HG       GLN  26  -3.556  -2.488 -15.491
  163   2HG   GLN  26          1HG       GLN  26  -5.134  -3.152 -15.064
  164   1HE2  GLN  26          1HE2      GLN  26  -3.412  -1.487 -17.523
  165   2HE2  GLN  26          2HE2      GLN  26  -4.746  -1.044 -18.475
  166    H    CYS  27           H        CYS  27  -7.058   0.336 -11.954
  167    HA   CYS  27           HA       CYS  27  -6.902  -1.112  -9.522
  168   1HB   CYS  27          2HB       CYS  27  -4.942  -0.029  -8.472
  169   2HB   CYS  27          1HB       CYS  27  -4.467  -1.003  -9.863
  170    H    GLY  28           H        GLY  28  -7.463   0.253  -7.671
  171   1HA   GLY  28          2HA       GLY  28  -8.674   2.837  -8.558
  172   2HA   GLY  28          1HA       GLY  28  -9.280   1.859  -7.221
  173    H    GLU  29           H        GLU  29  -6.356   1.386  -6.437
  174    HA   GLU  29           HA       GLU  29  -5.132   3.861  -5.761
  175   1HB   GLU  29          2HB       GLU  29  -5.839   4.255  -3.517
  176   2HB   GLU  29          1HB       GLU  29  -7.324   4.016  -4.437
  177   1HG   GLU  29          2HG       GLU  29  -7.773   2.555  -2.725
  178   2HG   GLU  29          1HG       GLU  29  -6.841   1.460  -3.746
  179    H    GLY  30           H        GLY  30  -3.103   3.417  -4.899
  180   1HA   GLY  30          2HA       GLY  30  -2.560   1.066  -3.319
  181   2HA   GLY  30          1HA       GLY  30  -2.006   0.861  -4.978
  182    H    LEU  31           H        LEU  31   0.113   0.754  -3.623
  183    HA   LEU  31           HA       LEU  31   1.148   3.293  -2.638
  184   1HB   LEU  31          2HB       LEU  31   1.880   0.580  -2.424
  185   2HB   LEU  31          1HB       LEU  31   3.219   1.404  -3.205
  186    HG   LEU  31           HG       LEU  31   3.391   1.451  -0.718
  187   1HD1  LEU  31          1HD1      LEU  31   4.004   3.764  -0.590
  188   2HD1  LEU  31          2HD1      LEU  31   2.834   4.211  -1.831
  189   3HD1  LEU  31          3HD1      LEU  31   4.270   3.285  -2.266
  190   1HD2  LEU  31          1HD2      LEU  31   0.629   2.171  -0.997
  191   2HD2  LEU  31          2HD2      LEU  31   1.471   3.495  -0.192
  192   3HD2  LEU  31          3HD2      LEU  31   1.533   1.869   0.488
  193    H    CYS  32           H        CYS  32   0.948   1.770  -5.709
  194    HA   CYS  32           HA       CYS  32   2.481   3.999  -6.880
  195   1HB   CYS  32          2HB       CYS  32   3.715   2.224  -8.334
  196   2HB   CYS  32          1HB       CYS  32   4.311   2.550  -6.707
  197    H    CYS  33           H        CYS  33   0.058   4.240  -7.441
  198    HA   CYS  33           HA       CYS  33  -0.367   2.893 -10.068
  199   1HB   CYS  33          2HB       CYS  33  -1.929   2.429  -7.734
  200   2HB   CYS  33          1HB       CYS  33  -2.919   3.371  -8.852
  201    H    GLU  34           H        GLU  34  -0.845   4.340 -11.638
  202    HA   GLU  34           HA       GLU  34  -1.102   7.167 -10.947
  203   1HB   GLU  34          2HB       GLU  34  -1.663   6.469 -13.729
  204   2HB   GLU  34          1HB       GLU  34  -0.478   7.589 -13.076
  205   1HG   GLU  34          2HG       GLU  34  -0.182   4.578 -13.292
  206   2HG   GLU  34          1HG       GLU  34   0.686   5.791 -14.225
  207    H    GLN  35           H        GLN  35  -2.887   8.012 -12.984
  208    HA   GLN  35           HA       GLN  35  -5.363   7.926 -11.623
  209   1HB   GLN  35          2HB       GLN  35  -4.601   8.622 -14.457
  210   2HB   GLN  35          1HB       GLN  35  -6.281   8.674 -13.925
  211   1HG   GLN  35          2HG       GLN  35  -5.192  10.046 -11.901
  212   2HG   GLN  35          1HG       GLN  35  -3.989  10.412 -13.139
  213   1HE2  GLN  35          1HE2      GLN  35  -5.259  10.882 -15.425
  214   2HE2  GLN  35          2HE2      GLN  35  -6.507  12.023 -15.274
  215    H    CYS  36           H        CYS  36  -5.864   5.711 -11.181
  216    HA   CYS  36           HA       CYS  36  -6.785   3.600 -11.643
  217   1HB   CYS  36          2HB       CYS  36  -7.960   5.350 -13.810
  218   2HB   CYS  36          1HB       CYS  36  -8.426   3.665 -13.611
  219    H    LYS  37           H        LYS  37  -4.155   3.834 -12.520
  220    HA   LYS  37           HA       LYS  37  -4.168   1.920 -14.766
  221   1HB   LYS  37          2HB       LYS  37  -2.935   4.670 -14.898
  222   2HB   LYS  37          1HB       LYS  37  -2.274   3.337 -15.844
  223   1HG   LYS  37          2HG       LYS  37  -5.161   4.268 -15.921
  224   2HG   LYS  37          1HG       LYS  37  -3.942   4.634 -17.142
  225   1HD   LYS  37          2HD       LYS  37  -3.676   1.946 -17.034
  226   2HD   LYS  37          1HD       LYS  37  -5.382   2.092 -16.610
  227   1HE   LYS  37          2HE       LYS  37  -5.969   2.841 -18.686
  228   2HE   LYS  37          1HE       LYS  37  -4.486   3.776 -18.878
  229   1HZ   LYS  37          1HZ       LYS  37  -4.895   1.616 -20.262
  230   2HZ   LYS  37          2HZ       LYS  37  -4.312   0.849 -18.861
  231   3HZ   LYS  37          3HZ       LYS  37  -3.347   1.986 -19.675
  232    H    PHE  38           H        PHE  38  -2.723   0.335 -14.239
  233    HA   PHE  38           HA       PHE  38  -1.182   0.288 -11.900
  234   1HB   PHE  38          2HB       PHE  38  -0.989  -1.186 -14.507
  235   2HB   PHE  38          1HB       PHE  38   0.293  -1.382 -13.316
  236    HD1  PHE  38           HD1      PHE  38  -1.177  -1.190 -10.770
  237    HD2  PHE  38           HD2      PHE  38  -2.224  -3.193 -14.422
  238    HE1  PHE  38           HE1      PHE  38  -2.589  -2.778  -9.494
  239    HE2  PHE  38           HE2      PHE  38  -3.639  -4.780 -13.147
  240    HZ   PHE  38           HZ       PHE  38  -3.823  -4.572 -10.682
  241    H    SER  39           H        SER  39   0.646   1.372 -11.298
  242    HA   SER  39           HA       SER  39   1.958   3.216 -13.050
  243   1HB   SER  39          2HB       SER  39   2.930   1.988 -10.479
  244   2HB   SER  39          1HB       SER  39   3.694   3.347 -11.282
  245    HG   SER  39           HG       SER  39   2.303   4.196  -9.794
  246    H    ARG  40           H        ARG  40   4.562   2.906 -13.206
  247    HA   ARG  40           HA       ARG  40   4.871   0.325 -14.602
  248   1HB   ARG  40          2HB       ARG  40   5.647   2.971 -15.225
  249   2HB   ARG  40          1HB       ARG  40   7.128   2.061 -14.929
  250   1HG   ARG  40          2HG       ARG  40   6.927   1.120 -16.959
  251   2HG   ARG  40          1HG       ARG  40   5.421   0.370 -16.432
  252   1HD   ARG  40          2HD       ARG  40   4.708   3.019 -16.930
  253   2HD   ARG  40          1HD       ARG  40   5.825   2.625 -18.238
  254    HE   ARG  40           HE       ARG  40   4.278   0.972 -19.019
  255   1HH1  ARG  40          1HH1      ARG  40   2.677   3.308 -17.421
  256   2HH1  ARG  40          2HH1      ARG  40   1.355   2.339 -16.862
  257   1HH2  ARG  40          1HH2      ARG  40   2.852  -0.669 -17.718
  258   2HH2  ARG  40          2HH2      ARG  40   1.452   0.087 -17.033
  259    H    ALA  41           H        ALA  41   6.797  -0.962 -14.205
  260    HA   ALA  41           HA       ALA  41   7.478  -1.279 -11.488
  261   1HB   ALA  41          1HB       ALA  41   9.692  -2.263 -12.803
  262   2HB   ALA  41          2HB       ALA  41   8.457  -2.318 -14.061
  263   3HB   ALA  41          3HB       ALA  41   8.200  -3.164 -12.536
  264    H    GLY  42           H        GLY  42  10.233  -1.246 -11.180
  265   1HA   GLY  42          2HA       GLY  42  11.881   0.316 -10.520
  266   2HA   GLY  42          1HA       GLY  42  11.605   1.027 -12.108
  267    H    LYS  43           H        LYS  43   9.015   0.699  -9.770
  268    HA   LYS  43           HA       LYS  43   8.946   3.668  -9.605
  269   1HB   LYS  43          2HB       LYS  43   6.901   3.075 -10.507
  270   2HB   LYS  43          1HB       LYS  43   6.858   1.533  -9.662
  271   1HG   LYS  43          2HG       LYS  43   5.683   2.418  -7.959
  272   2HG   LYS  43          1HG       LYS  43   6.804   3.759  -7.788
  273   1HD   LYS  43          2HD       LYS  43   5.162   3.960 -10.204
  274   2HD   LYS  43          1HD       LYS  43   4.210   3.968  -8.719
  275   1HE   LYS  43          2HE       LYS  43   5.020   6.250  -9.515
  276   2HE   LYS  43          1HE       LYS  43   5.412   5.841  -7.845
  277   1HZ   LYS  43          1HZ       LYS  43   7.278   5.276 -10.067
  278   2HZ   LYS  43          2HZ       LYS  43   7.609   5.360  -8.402
  279   3HZ   LYS  43          3HZ       LYS  43   7.266   6.775  -9.275
  280    H    ILE  44           H        ILE  44   9.297   4.620  -7.641
  281    HA   ILE  44           HA       ILE  44  10.013   2.942  -5.377
  282    HB   ILE  44           HB       ILE  44  11.206   5.028  -5.777
  283   1HG1  ILE  44          2HG1      ILE  44  10.667   6.158  -3.492
  284   2HG1  ILE  44          1HG1      ILE  44   9.519   4.835  -3.281
  285   1HG2  ILE  44          1HG2      ILE  44   9.238   6.923  -4.925
  286   2HG2  ILE  44          2HG2      ILE  44   8.565   5.985  -6.259
  287   3HG2  ILE  44          3HG2      ILE  44  10.088   6.849  -6.468
  288   1HD1  ILE  44          1HD1      ILE  44  12.299   4.157  -4.146
  289   2HD1  ILE  44          2HD1      ILE  44  11.179   3.230  -3.150
  290   3HD1  ILE  44          3HD1      ILE  44  12.040   4.605  -2.460
  291    H    CYS  45           H        CYS  45   8.542   2.055  -4.067
  292    HA   CYS  45           HA       CYS  45   5.907   3.396  -3.712
  293   1HB   CYS  45          2HB       CYS  45   5.295   1.188  -2.623
  294   2HB   CYS  45          1HB       CYS  45   5.677   1.093  -4.339
  295    H    ARG  46           H        ARG  46   8.911   2.782  -2.100
  296    HA   ARG  46           HA       ARG  46   7.943   4.249   0.229
  297   1HB   ARG  46          2HB       ARG  46   7.812   1.406   0.259
  298   2HB   ARG  46          1HB       ARG  46   9.130   1.884   1.329
  299   1HG   ARG  46          2HG       ARG  46   6.882   3.653   1.706
  300   2HG   ARG  46          1HG       ARG  46   6.360   1.978   1.884
  301   1HD   ARG  46          2HD       ARG  46   8.613   1.808   3.301
  302   2HD   ARG  46          1HD       ARG  46   8.321   3.534   3.513
  303    HE   ARG  46           HE       ARG  46   6.466   3.000   4.877
  304   1HH1  ARG  46          1HH1      ARG  46   7.933   0.482   5.594
  305   2HH1  ARG  46          2HH1      ARG  46   6.740  -0.733   5.278
  306   1HH2  ARG  46          1HH2      ARG  46   4.742   1.355   3.360
  307   2HH2  ARG  46          2HH2      ARG  46   4.932  -0.238   4.011
  308    H    ILE  47           H        ILE  47   9.916   3.678   2.029
  309    HA   ILE  47           HA       ILE  47  12.456   4.139   0.535
  310    HB   ILE  47           HB       ILE  47  11.731   6.330   1.149
  311   1HG1  ILE  47          2HG1      ILE  47  13.587   5.339   3.336
  312   2HG1  ILE  47          1HG1      ILE  47  14.094   5.819   1.714
  313   1HG2  ILE  47          1HG2      ILE  47  11.140   5.133   3.874
  314   2HG2  ILE  47          2HG2      ILE  47   9.953   5.699   2.699
  315   3HG2  ILE  47          3HG2      ILE  47  11.031   6.850   3.486
  316   1HD1  ILE  47          1HD1      ILE  47  14.430   7.747   3.072
  317   2HD1  ILE  47          2HD1      ILE  47  12.866   7.550   3.864
  318   3HD1  ILE  47          3HD1      ILE  47  12.942   8.056   2.177
  319    H    ALA  48           H        ALA  48  14.276   3.261   1.543
  320    HA   ALA  48           HA       ALA  48  13.735   1.359   3.705
  321   1HB   ALA  48          1HB       ALA  48  16.014   1.830   1.800
  322   2HB   ALA  48          2HB       ALA  48  15.024   0.387   1.997
  323   3HB   ALA  48          3HB       ALA  48  16.231   0.795   3.212
  324    H    ARG  49           H        ARG  49  15.958   1.224   5.198
  325    HA   ARG  49           HA       ARG  49  15.823   3.423   7.001
  326   1HB   ARG  49          2HB       ARG  49  18.047   1.454   6.697
  327   2HB   ARG  49          1HB       ARG  49  17.686   2.386   8.141
  328   1HG   ARG  49          2HG       ARG  49  16.038   0.182   6.881
  329   2HG   ARG  49          1HG       ARG  49  16.742   0.214   8.497
  330   1HD   ARG  49          2HD       ARG  49  15.245   2.023   9.159
  331   2HD   ARG  49          1HD       ARG  49  14.594   2.120   7.522
  332    HE   ARG  49           HE       ARG  49  13.764   0.236   9.530
  333   1HH1  ARG  49          1HH2      ARG  49  14.353   0.711   6.162
  334   2HH1  ARG  49          2HH2      ARG  49  13.349  -0.610   5.667
  335   1HH2  ARG  49          1HH1      ARG  49  12.510  -1.537   8.901
  336   2HH2  ARG  49          2HH1      ARG  49  12.305  -1.882   7.216
  337    H    GLY  50           H        GLY  50  19.003   2.600   5.769
  338   1HA   GLY  50          2HA       GLY  50  19.314   5.155   4.414
  339   2HA   GLY  50          1HA       GLY  50  20.277   4.968   5.877
  340    H    ASP  51           H        ASP  51  20.201   4.382   2.547
  341    HA   ASP  51           HA       ASP  51  21.954   3.546   1.191
  342   1HB   ASP  51          2HB       ASP  51  23.171   3.606   3.694
  343   2HB   ASP  51          1HB       ASP  51  23.338   1.939   3.146
  344    H    TRP  52           H        TRP  52  20.843   2.087   0.001
  345    HA   TRP  52           HA       TRP  52  21.222  -0.648   0.076
  346   1HB   TRP  52          2HB       TRP  52  18.728  -1.208   0.948
  347   2HB   TRP  52          1HB       TRP  52  20.130  -1.232   2.003
  348    HD1  TRP  52           HD1      TRP  52  18.959  -0.494   4.152
  349    HE1  TRP  52           HE1      TRP  52  17.869   1.680   4.927
  350    HE3  TRP  52           HE3      TRP  52  18.615   2.027  -0.285
  351    HZ2  TRP  52           HZ2      TRP  52  16.972   4.168   3.828
  352    HZ3  TRP  52           HZ3      TRP  52  17.653   4.289  -0.372
  353    HH2  TRP  52           HH2      TRP  52  16.831   5.353   1.710
  354    H    ASN  53           H        ASN  53  18.693  -1.667  -0.737
  355    HA   ASN  53           HA       ASN  53  18.356  -0.168  -3.269
  356   1HB   ASN  53          2HB       ASN  53  17.877  -2.956  -2.348
  357   2HB   ASN  53          1HB       ASN  53  16.729  -2.326  -3.530
  358   1HD2  ASN  53          1HD2      ASN  53  18.939  -4.381  -3.895
  359   2HD2  ASN  53          2HD2      ASN  53  19.892  -3.772  -5.160
  360    H    ASP  54           H        ASP  54  16.762   1.363  -3.263
  361    HA   ASP  54           HA       ASP  54  14.824   1.680  -1.206
  362   1HB   ASP  54          2HB       ASP  54  13.658   3.180  -2.843
  363   2HB   ASP  54          1HB       ASP  54  15.378   3.531  -2.681
  364    H    ASP  55           H        ASP  55  12.406   1.593  -1.606
  365    HA   ASP  55           HA       ASP  55  11.695  -1.111  -2.444
  366   1HB   ASP  55          2HB       ASP  55  10.682   0.638  -0.596
  367   2HB   ASP  55          1HB       ASP  55   9.529   0.793  -1.916
  368    H    ARG  56           H        ARG  56  10.955  -1.653  -4.454
  369    HA   ARG  56           HA       ARG  56  10.146   0.574  -6.272
  370   1HB   ARG  56          2HB       ARG  56  12.293  -1.072  -6.585
  371   2HB   ARG  56          1HB       ARG  56  11.053  -1.967  -7.461
  372   1HG   ARG  56          2HG       ARG  56  11.115  -0.511  -9.156
  373   2HG   ARG  56          1HG       ARG  56  10.865   0.851  -8.064
  374   1HD   ARG  56          2HD       ARG  56  13.031   1.036  -9.273
  375   2HD   ARG  56          1HD       ARG  56  13.258   0.897  -7.530
  376    HE   ARG  56           HE       ARG  56  13.343  -1.723  -8.597
  377   1HH1  ARG  56          1HH1      ARG  56  15.319   0.604  -7.363
  378   2HH1  ARG  56          2HH1      ARG  56  16.739   0.163  -8.253
  379   1HH2  ARG  56          1HH2      ARG  56  15.060  -2.027 -10.353
  380   2HH2  ARG  56          2HH2      ARG  56  16.592  -1.326  -9.947
  381    H    CYS  57           H        CYS  57   8.623  -0.120  -7.990
  382    HA   CYS  57           HA       CYS  57   6.771  -2.243  -7.005
  383   1HB   CYS  57          2HB       CYS  57   6.300   0.414  -8.320
  384   2HB   CYS  57          1HB       CYS  57   5.178  -0.900  -8.662
  385    H    THR  58           H        THR  58   5.693  -3.428  -8.843
  386    HA   THR  58           HA       THR  58   7.700  -3.989 -10.934
  387    HB   THR  58           HB       THR  58   6.495  -5.998 -11.338
  388    HG1  THR  58           HG1      THR  58   4.392  -4.515 -10.252
  389   1HG2  THR  58          1HG2      THR  58   5.861  -5.664  -8.430
  390   2HG2  THR  58          2HG2      THR  58   7.542  -5.555  -8.951
  391   3HG2  THR  58          3HG2      THR  58   6.617  -7.024  -9.261
  392    H    GLY  59           H        GLY  59   5.914  -4.893 -12.954
  393   1HA   GLY  59          1HA       GLY  59   5.079  -2.265 -14.034
  394   2HA   GLY  59          2HA       GLY  59   5.284  -3.743 -14.973
  395    H    GLN  60           H        GLN  60   3.701  -4.981 -12.513
  396    HA   GLN  60           HA       GLN  60   0.995  -4.055 -13.356
  397   1HB   GLN  60          2HB       GLN  60   1.517  -6.980 -12.912
  398   2HB   GLN  60          1HB       GLN  60   0.235  -6.209 -13.847
  399   1HG   GLN  60          2HG       GLN  60   1.884  -5.499 -15.536
  400   2HG   GLN  60          1HG       GLN  60   3.172  -6.259 -14.601
  401   1HE2  GLN  60          1HE2      GLN  60   0.055  -7.064 -16.216
  402   2HE2  GLN  60          2HE2      GLN  60   0.494  -8.659 -16.599
  403    H    SER  61           H        SER  61   2.719  -3.713 -10.902
  404    HA   SER  61           HA       SER  61   0.756  -4.865  -8.960
  405   1HB   SER  61          2HB       SER  61   3.006  -6.015  -8.908
  406   2HB   SER  61          1HB       SER  61   3.713  -4.477  -8.425
  407    HG   SER  61           HG       SER  61   3.090  -5.931  -6.675
  408    H    ALA  62           H        ALA  62  -0.301  -3.235  -7.954
  409    HA   ALA  62           HA       ALA  62   0.930  -0.540  -7.908
  410   1HB   ALA  62          1HB       ALA  62  -1.615  -1.273  -8.445
  411   2HB   ALA  62          2HB       ALA  62  -1.198   0.297  -7.763
  412   3HB   ALA  62          3HB       ALA  62  -1.751  -1.002  -6.708
  413    H    ASP  63           H        ASP  63   0.232  -3.219  -5.810
  414    HA   ASP  63           HA       ASP  63   0.439  -1.643  -3.356
  415   1HB   ASP  63          2HB       ASP  63   0.867  -4.572  -3.314
  416   2HB   ASP  63          1HB       ASP  63  -0.091  -3.566  -2.237
  417    H    CYS  64           H        CYS  64   2.183  -2.300  -1.720
  418    HA   CYS  64           HA       CYS  64   4.748  -2.955  -3.082
  419   1HB   CYS  64          2HB       CYS  64   4.647  -0.521  -2.946
  420   2HB   CYS  64          1HB       CYS  64   4.260  -0.608  -1.228
  421    HA   PRO  65           HA       PRO  65   4.875  -5.567   0.471
  422   1HB   PRO  65          2HB       PRO  65   7.119  -6.892  -0.365
  423   2HB   PRO  65          1HB       PRO  65   5.501  -7.259  -0.962
  424   1HG   PRO  65          2HG       PRO  65   7.753  -5.869  -2.318
  425   2HG   PRO  65          1HG       PRO  65   6.373  -6.727  -3.027
  426   1HD   PRO  65          2HD       PRO  65   6.664  -3.916  -2.793
  427   2HD   PRO  65          1HD       PRO  65   5.188  -4.792  -3.250
  428    H    ARG  66           H        ARG  66   7.373  -6.449   1.451
  429    HA   ARG  66           HA       ARG  66   9.018  -4.066   1.925
  430   1HB   ARG  66          2HB       ARG  66   7.877  -5.573   4.283
  431   2HB   ARG  66          1HB       ARG  66   8.754  -4.042   4.296
  432   1HG   ARG  66          2HG       ARG  66   6.920  -2.926   3.146
  433   2HG   ARG  66          1HG       ARG  66   6.057  -4.455   2.974
  434   1HD   ARG  66          2HD       ARG  66   6.750  -3.082   5.586
  435   2HD   ARG  66          1HD       ARG  66   5.143  -3.203   4.868
  436    HE   ARG  66           HE       ARG  66   6.690  -5.547   5.898
  437   1HH1  ARG  66          1HH2      ARG  66   4.452  -4.436   7.536
  438   2HH1  ARG  66          2HH2      ARG  66   3.118  -5.434   7.059
  439   1HH2  ARG  66          1HH1      ARG  66   4.678  -6.614   4.198
  440   2HH2  ARG  66          2HH1      ARG  66   3.246  -6.665   5.171
  441    H    TYR  67           H        TYR  67  11.149  -4.638   2.284
  442    HA   TYR  67           HA       TYR  67  11.897  -7.221   3.347
  443   1HB   TYR  67          2HB       TYR  67  13.199  -7.781   1.158
  444   2HB   TYR  67          1HB       TYR  67  11.476  -8.152   1.228
  445    HD1  TYR  67           HD1      TYR  67  14.057  -6.132  -0.346
  446    HD2  TYR  67           HD2      TYR  67   9.817  -6.578   0.187
  447    HE1  TYR  67           HE1      TYR  67  13.656  -4.645  -2.290
  448    HE2  TYR  67           HE2      TYR  67   9.418  -5.091  -1.758
  449    HH   TYR  67           HH       TYR  67  10.738  -4.421  -3.859
  450    H    HIS  68           HN       HIS  68  12.444  -4.334   3.739
  451    HA   HIS  68           HA       HIS  68  15.385  -4.335   3.195
  452   1HB   HIS  68          2HB       HIS  68  13.565  -1.974   3.770
  453   2HB   HIS  68          1HB       HIS  68  15.284  -1.891   3.387
  454    HD1  HIS  68           HD1      HIS  68  12.005  -3.012   1.818
  455    HD2  HIS  68           HD2      HIS  68  15.850  -1.886   0.665
  456    HE1  HIS  68           HE1      HIS  68  11.984  -2.876  -0.711
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1 -17.432 -14.429  -1.192
    2   2H    GLY   1          2HT       GLY   1 -16.582 -15.881  -0.952
    3   3H    GLY   1          3HT       GLY   1 -16.880 -15.318  -2.527
    4   1HA   GLY   1          1HA       GLY   1 -14.809 -14.572  -0.655
    5   2HA   GLY   1          2HA       GLY   1 -14.817 -14.495  -2.418
    6    H    LYS   2           H        LYS   2 -13.822 -12.364  -0.872
    7    HA   LYS   2           HA       LYS   2 -15.712 -10.314  -0.296
    8   1HB   LYS   2          2HB       LYS   2 -13.841  -8.788  -0.349
    9   2HB   LYS   2          1HB       LYS   2 -13.264 -10.309   0.334
   10   1HG   LYS   2          2HG       LYS   2 -11.677 -10.347  -1.261
   11   2HG   LYS   2          1HG       LYS   2 -12.959 -10.577  -2.451
   12   1HD   LYS   2          2HD       LYS   2 -13.054  -7.848  -1.880
   13   2HD   LYS   2          1HD       LYS   2 -11.330  -8.216  -1.929
   14   1HE   LYS   2          2HE       LYS   2 -13.183  -9.235  -4.076
   15   2HE   LYS   2          1HE       LYS   2 -12.506  -7.608  -4.162
   16   1HZ   LYS   2          1HZ       LYS   2 -11.285  -9.969  -4.911
   17   2HZ   LYS   2          2HZ       LYS   2 -10.495  -9.481  -3.487
   18   3HZ   LYS   2          3HZ       LYS   2 -10.574  -8.431  -4.821
   19    H    GLU   3           H        GLU   3 -16.583  -8.663  -1.595
   20    HA   GLU   3           HA       GLU   3 -15.970  -8.802  -4.513
   21   1HB   GLU   3          2HB       GLU   3 -18.425  -8.479  -4.946
   22   2HB   GLU   3          1HB       GLU   3 -18.035 -10.041  -4.225
   23   1HG   GLU   3          2HG       GLU   3 -19.250  -9.588  -2.379
   24   2HG   GLU   3          1HG       GLU   3 -18.491  -8.007  -2.191
   25    H    CYS   4           H        CYS   4 -14.839  -6.889  -2.879
   26    HA   CYS   4           HA       CYS   4 -16.173  -4.458  -3.884
   27   1HB   CYS   4          2HB       CYS   4 -16.934  -4.884  -1.509
   28   2HB   CYS   4          1HB       CYS   4 -15.273  -4.605  -1.045
   29    H    ASP   5           H        ASP   5 -14.212  -4.972  -5.276
   30    HA   ASP   5           HA       ASP   5 -11.566  -4.922  -4.703
   31   1HB   ASP   5          2HB       ASP   5 -12.697  -4.631  -6.991
   32   2HB   ASP   5          1HB       ASP   5 -12.641  -2.897  -6.661
   33    H    CYS   6           H        CYS   6 -13.748  -2.168  -4.297
   34    HA   CYS   6           HA       CYS   6 -11.756  -0.951  -2.496
   35   1HB   CYS   6          2HB       CYS   6 -11.053   0.641  -3.919
   36   2HB   CYS   6          1HB       CYS   6 -12.007  -0.100  -5.192
   37    H    SER   7           H        SER   7 -12.731   0.353  -0.909
   38    HA   SER   7           HA       SER   7 -15.704   0.208  -0.862
   39   1HB   SER   7          2HB       SER   7 -15.450   0.744   1.555
   40   2HB   SER   7          1HB       SER   7 -14.559  -0.706   1.104
   41    HG   SER   7           HG       SER   7 -13.643   1.539   2.194
   42    H    SER   8           H        SER   8 -13.350   2.348  -1.793
   43    HA   SER   8           HA       SER   8 -14.526   4.776  -0.650
   44   1HB   SER   8          2HB       SER   8 -12.906   5.690  -2.615
   45   2HB   SER   8          1HB       SER   8 -12.317   5.235  -1.019
   46    HG   SER   8           HG       SER   8 -11.400   3.528  -1.854
   47    HA   PRO   9           HA       PRO   9 -17.498   4.929  -3.992
   48   1HB   PRO   9          2HB       PRO   9 -18.829   7.133  -3.029
   49   2HB   PRO   9          1HB       PRO   9 -19.086   5.489  -2.419
   50   1HG   PRO   9          2HG       PRO   9 -17.614   7.753  -1.152
   51   2HG   PRO   9          1HG       PRO   9 -18.425   6.375  -0.390
   52   1HD   PRO   9          2HD       PRO   9 -15.636   6.642  -0.786
   53   2HD   PRO   9          1HD       PRO   9 -16.489   5.148  -0.340
   54    H    GLU  10           H        GLU  10 -15.555   7.665  -2.852
   55    HA   GLU  10           HA       GLU  10 -16.056   9.263  -5.252
   56   1HB   GLU  10          2HB       GLU  10 -15.429  10.143  -2.909
   57   2HB   GLU  10          1HB       GLU  10 -13.781   9.653  -3.302
   58   1HG   GLU  10          2HG       GLU  10 -14.903  11.100  -5.526
   59   2HG   GLU  10          1HG       GLU  10 -15.087  12.052  -4.053
   60    H    ASN  11           H        ASN  11 -13.808   6.815  -4.253
   61    HA   ASN  11           HA       ASN  11 -11.634   7.385  -5.988
   62   1HB   ASN  11          2HB       ASN  11 -11.784   5.637  -4.112
   63   2HB   ASN  11          1HB       ASN  11 -12.569   4.600  -5.301
   64   1HD2  ASN  11          1HD2      ASN  11 -10.047   3.865  -4.205
   65   2HD2  ASN  11          2HD2      ASN  11  -8.869   3.976  -5.423
   66    HA   PRO  12           HA       PRO  12 -13.816   6.493  -9.803
   67   1HB   PRO  12          2HB       PRO  12 -11.782   7.346 -11.441
   68   2HB   PRO  12          1HB       PRO  12 -12.920   8.446 -10.643
   69   1HG   PRO  12          2HG       PRO  12 -10.064   7.905  -9.989
   70   2HG   PRO  12          1HG       PRO  12 -11.035   9.349  -9.662
   71   1HD   PRO  12          2HD       PRO  12 -10.368   7.321  -7.791
   72   2HD   PRO  12          1HD       PRO  12 -11.563   8.614  -7.558
   73    H    CYS  13           H        CYS  13 -11.459   4.779  -8.343
   74    HA   CYS  13           HA       CYS  13 -10.783   3.118 -10.733
   75   1HB   CYS  13          2HB       CYS  13  -9.585   2.907  -7.967
   76   2HB   CYS  13          1HB       CYS  13  -8.939   2.269  -9.473
   77    H    CYS  14           H        CYS  14 -13.400   3.087  -9.188
   78    HA   CYS  14           HA       CYS  14 -13.682   0.217  -9.116
   79   1HB   CYS  14          2HB       CYS  14 -14.276   0.239  -6.582
   80   2HB   CYS  14          1HB       CYS  14 -12.573   0.180  -7.043
   81    H    ASP  15           H        ASP  15 -15.803  -0.232  -9.470
   82    HA   ASP  15           HA       ASP  15 -17.760   1.803  -9.775
   83   1HB   ASP  15          2HB       ASP  15 -17.712  -0.662 -10.644
   84   2HB   ASP  15          1HB       ASP  15 -18.516  -1.007  -9.118
   85    H    ALA  16           H        ALA  16 -19.084   2.786  -8.303
   86    HA   ALA  16           HA       ALA  16 -18.842   1.939  -5.489
   87   1HB   ALA  16          1HB       ALA  16 -18.469   4.358  -6.306
   88   2HB   ALA  16          2HB       ALA  16 -19.496   4.132  -4.890
   89   3HB   ALA  16          3HB       ALA  16 -20.224   4.431  -6.469
   90    H    ALA  17           H        ALA  17 -20.666   0.749  -7.702
   91    HA   ALA  17           HA       ALA  17 -23.191   0.967  -6.105
   92   1HB   ALA  17          1HB       ALA  17 -23.030   1.855  -8.621
   93   2HB   ALA  17          2HB       ALA  17 -24.473   1.032  -8.029
   94   3HB   ALA  17          3HB       ALA  17 -23.281   0.147  -8.980
   95    H    THR  18           H        THR  18 -20.708  -1.025  -7.291
   96    HA   THR  18           HA       THR  18 -22.235  -3.436  -6.457
   97    HB   THR  18           HB       THR  18 -20.645  -2.964  -8.941
   98    HG1  THR  18           HG1      THR  18 -22.428  -3.992  -9.834
   99   1HG2  THR  18          1HG2      THR  18 -19.501  -4.875  -8.244
  100   2HG2  THR  18          2HG2      THR  18 -20.838  -5.559  -9.171
  101   3HG2  THR  18          3HG2      THR  18 -20.912  -5.527  -7.408
  102    H    CYS  19           H        CYS  19 -19.679  -1.456  -5.819
  103    HA   CYS  19           HA       CYS  19 -17.737  -1.724  -4.529
  104   1HB   CYS  19          2HB       CYS  19 -19.588  -3.736  -3.641
  105   2HB   CYS  19          1HB       CYS  19 -17.948  -4.341  -3.535
  106    H    LYS  20           H        LYS  20 -16.453  -1.771  -6.477
  107    HA   LYS  20           HA       LYS  20 -14.722  -4.008  -6.683
  108   1HB   LYS  20          2HB       LYS  20 -17.139  -4.134  -8.378
  109   2HB   LYS  20          1HB       LYS  20 -15.608  -4.421  -9.208
  110   1HG   LYS  20          2HG       LYS  20 -15.598  -5.815  -6.688
  111   2HG   LYS  20          1HG       LYS  20 -17.046  -6.253  -7.598
  112   1HD   LYS  20          2HD       LYS  20 -15.384  -6.460  -9.618
  113   2HD   LYS  20          1HD       LYS  20 -14.159  -6.603  -8.358
  114   1HE   LYS  20          2HE       LYS  20 -14.847  -8.682  -7.759
  115   2HE   LYS  20          1HE       LYS  20 -16.552  -8.256  -7.900
  116   1HZ   LYS  20          1HZ       LYS  20 -15.489  -9.909  -9.569
  117   2HZ   LYS  20          2HZ       LYS  20 -14.919  -8.501 -10.331
  118   3HZ   LYS  20          3HZ       LYS  20 -16.588  -8.743 -10.124
  119    H    LEU  21           H        LEU  21 -13.666  -3.882  -9.119
  120    HA   LEU  21           HA       LEU  21 -12.506  -1.228  -9.215
  121   1HB   LEU  21          2HB       LEU  21 -12.122  -3.798 -10.582
  122   2HB   LEU  21          1HB       LEU  21 -11.861  -2.395 -11.617
  123    HG   LEU  21           HG       LEU  21 -10.580  -2.734  -8.898
  124   1HD1  LEU  21          1HD1      LEU  21  -9.922  -4.353 -10.863
  125   2HD1  LEU  21          2HD1      LEU  21  -8.658  -3.569  -9.914
  126   3HD1  LEU  21          3HD1      LEU  21  -9.101  -2.926 -11.496
  127   1HD2  LEU  21          1HD2      LEU  21  -9.268  -0.986 -10.772
  128   2HD2  LEU  21          2HD2      LEU  21  -9.874  -0.636  -9.157
  129   3HD2  LEU  21          3HD2      LEU  21 -10.948  -0.500 -10.545
  130    H    ARG  22           H        ARG  22 -12.683   0.281 -10.927
  131    HA   ARG  22           HA       ARG  22 -15.297   0.255 -12.275
  132   1HB   ARG  22          2HB       ARG  22 -13.522   2.272 -11.427
  133   2HB   ARG  22          1HB       ARG  22 -13.436   2.303 -13.189
  134   1HG   ARG  22          2HG       ARG  22 -16.146   2.018 -12.723
  135   2HG   ARG  22          1HG       ARG  22 -15.638   3.090 -11.417
  136   1HD   ARG  22          2HD       ARG  22 -15.750   4.761 -12.935
  137   2HD   ARG  22          1HD       ARG  22 -14.275   4.083 -13.623
  138    HE   ARG  22           HE       ARG  22 -15.561   3.227 -15.419
  139   1HH1  ARG  22          1HH2      ARG  22 -17.543   3.759 -12.670
  140   2HH1  ARG  22          2HH2      ARG  22 -19.021   3.819 -13.572
  141   1HH2  ARG  22          1HH1      ARG  22 -17.460   3.530 -16.655
  142   2HH2  ARG  22          2HH1      ARG  22 -18.974   3.690 -15.829
  143    HA   PRO  23           HA       PRO  23 -13.485  -2.002 -15.664
  144   1HB   PRO  23          2HB       PRO  23 -15.569  -1.577 -17.433
  145   2HB   PRO  23          1HB       PRO  23 -15.573  -2.810 -16.159
  146   1HG   PRO  23          2HG       PRO  23 -16.919  -0.122 -16.184
  147   2HG   PRO  23          1HG       PRO  23 -17.469  -1.647 -15.462
  148   1HD   PRO  23          2HD       PRO  23 -16.340   0.389 -13.969
  149   2HD   PRO  23          1HD       PRO  23 -16.253  -1.318 -13.511
  150    H    GLY  24           H        GLY  24 -11.901  -0.163 -15.702
  151   1HA   GLY  24          2HA       GLY  24 -11.467   0.845 -18.288
  152   2HA   GLY  24          1HA       GLY  24 -12.191   2.149 -17.340
  153    H    ALA  25           H        ALA  25 -10.133  -0.397 -16.008
  154    HA   ALA  25           HA       ALA  25  -7.713   1.169 -15.951
  155   1HB   ALA  25          1HB       ALA  25  -8.367   2.530 -14.248
  156   2HB   ALA  25          2HB       ALA  25  -8.070   1.120 -13.233
  157   3HB   ALA  25          3HB       ALA  25  -9.702   1.474 -13.795
  158    H    GLN  26           H        GLN  26  -6.576   0.108 -13.594
  159    HA   GLN  26           HA       GLN  26  -7.014  -2.821 -13.796
  160   1HB   GLN  26          2HB       GLN  26  -5.082  -1.742 -15.326
  161   2HB   GLN  26          1HB       GLN  26  -4.176  -1.926 -13.823
  162   1HG   GLN  26          2HG       GLN  26  -3.988  -4.140 -14.165
  163   2HG   GLN  26          1HG       GLN  26  -5.741  -4.290 -14.281
  164   1HE2  GLN  26          1HE2      GLN  26  -2.814  -4.409 -16.096
  165   2HE2  GLN  26          2HE2      GLN  26  -3.516  -4.487 -17.640
  166    H    CYS  27           H        CYS  27  -7.349  -0.661 -11.671
  167    HA   CYS  27           HA       CYS  27  -6.579  -2.224  -9.442
  168   1HB   CYS  27          2HB       CYS  27  -4.722  -0.850  -8.516
  169   2HB   CYS  27          1HB       CYS  27  -4.273  -1.660 -10.012
  170    H    GLY  28           H        GLY  28  -7.806  -1.563  -7.762
  171   1HA   GLY  28          2HA       GLY  28  -9.186   1.041  -8.011
  172   2HA   GLY  28          1HA       GLY  28  -9.662  -0.273  -6.943
  173    H    GLU  29           H        GLU  29  -6.562  -0.337  -6.332
  174    HA   GLU  29           HA       GLU  29  -5.937   2.086  -4.981
  175   1HB   GLU  29          2HB       GLU  29  -6.404   1.233  -2.621
  176   2HB   GLU  29          1HB       GLU  29  -7.814   1.722  -3.558
  177   1HG   GLU  29          2HG       GLU  29  -8.318  -0.578  -4.119
  178   2HG   GLU  29          1HG       GLU  29  -6.819  -1.134  -3.374
  179    H    GLY  30           H        GLY  30  -3.805   1.975  -4.457
  180   1HA   GLY  30          2HA       GLY  30  -2.486  -0.234  -3.267
  181   2HA   GLY  30          1HA       GLY  30  -2.242  -0.336  -5.011
  182    H    LEU  31           H        LEU  31  -0.062   0.112  -3.300
  183    HA   LEU  31           HA       LEU  31   0.525   2.917  -3.002
  184   1HB   LEU  31          2HB       LEU  31   1.941   0.387  -2.637
  185   2HB   LEU  31          1HB       LEU  31   2.976   1.741  -3.063
  186    HG   LEU  31           HG       LEU  31   0.899   2.229  -0.986
  187   1HD1  LEU  31          1HD1      LEU  31   3.477   0.972  -0.118
  188   2HD1  LEU  31          2HD1      LEU  31   2.151  -0.075  -0.624
  189   3HD1  LEU  31          3HD1      LEU  31   1.930   1.040   0.723
  190   1HD2  LEU  31          1HD2      LEU  31   2.686   3.627  -0.061
  191   2HD2  LEU  31          2HD2      LEU  31   2.504   3.966  -1.783
  192   3HD2  LEU  31          3HD2      LEU  31   3.837   2.959  -1.218
  193    H    CYS  32           H        CYS  32   1.266   0.506  -5.490
  194    HA   CYS  32           HA       CYS  32   2.534   2.662  -7.111
  195   1HB   CYS  32          2HB       CYS  32   2.550  -0.288  -7.753
  196   2HB   CYS  32          1HB       CYS  32   3.658   0.961  -8.324
  197    H    CYS  33           H        CYS  33  -0.420   2.255  -6.740
  198    HA   CYS  33           HA       CYS  33  -1.174   1.524  -9.534
  199   1HB   CYS  33          2HB       CYS  33  -2.573   0.297  -8.100
  200   2HB   CYS  33          1HB       CYS  33  -2.675   1.599  -6.923
  201    H    GLU  34           H        GLU  34  -0.729   3.426 -10.659
  202    HA   GLU  34           HA       GLU  34  -1.175   6.069  -9.706
  203   1HB   GLU  34          2HB       GLU  34  -1.016   6.762 -12.031
  204   2HB   GLU  34          1HB       GLU  34   0.155   5.473 -11.749
  205   1HG   GLU  34          2HG       GLU  34  -0.888   4.067 -13.184
  206   2HG   GLU  34          1HG       GLU  34  -2.482   4.468 -12.544
  207    H    GLN  35           H        GLN  35  -2.846   7.172 -11.760
  208    HA   GLN  35           HA       GLN  35  -5.378   7.064 -10.503
  209   1HB   GLN  35          2HB       GLN  35  -4.377   8.703 -12.335
  210   2HB   GLN  35          1HB       GLN  35  -5.208   7.612 -13.445
  211   1HG   GLN  35          2HG       GLN  35  -7.327   8.041 -12.450
  212   2HG   GLN  35          1HG       GLN  35  -6.593   8.813 -11.043
  213   1HE2  GLN  35          1HE2      GLN  35  -4.789  10.602 -12.187
  214   2HE2  GLN  35          2HE2      GLN  35  -5.613  11.721 -13.161
  215    H    CYS  36           H        CYS  36  -5.934   4.865 -10.191
  216    HA   CYS  36           HA       CYS  36  -6.756   2.743 -10.774
  217   1HB   CYS  36          2HB       CYS  36  -8.007   3.996 -13.194
  218   2HB   CYS  36          1HB       CYS  36  -8.696   2.836 -12.057
  219    H    LYS  37           H        LYS  37  -4.173   2.855 -11.612
  220    HA   LYS  37           HA       LYS  37  -4.267   1.202 -14.029
  221   1HB   LYS  37          2HB       LYS  37  -3.682   4.022 -14.229
  222   2HB   LYS  37          1HB       LYS  37  -2.268   3.076 -14.698
  223   1HG   LYS  37          2HG       LYS  37  -5.038   2.467 -15.744
  224   2HG   LYS  37          1HG       LYS  37  -3.941   3.579 -16.565
  225   1HD   LYS  37          2HD       LYS  37  -2.388   1.308 -15.993
  226   2HD   LYS  37          1HD       LYS  37  -3.934   0.678 -16.564
  227   1HE   LYS  37          2HE       LYS  37  -3.500   2.728 -18.330
  228   2HE   LYS  37          1HE       LYS  37  -1.854   2.168 -18.033
  229   1HZ   LYS  37          1HZ       LYS  37  -2.244   0.217 -19.040
  230   2HZ   LYS  37          2HZ       LYS  37  -3.522   1.048 -19.792
  231   3HZ   LYS  37          3HZ       LYS  37  -3.821   0.079 -18.427
  232    H    PHE  38           H        PHE  38  -2.680  -0.315 -13.907
  233    HA   PHE  38           HA       PHE  38  -0.963  -0.555 -11.663
  234   1HB   PHE  38          2HB       PHE  38  -1.129  -1.831 -14.353
  235   2HB   PHE  38          1HB       PHE  38   0.390  -2.007 -13.484
  236    HD1  PHE  38           HD1      PHE  38  -0.163  -4.486 -13.457
  237    HD2  PHE  38           HD2      PHE  38  -2.532  -1.552 -11.398
  238    HE1  PHE  38           HE1      PHE  38  -1.158  -6.272 -12.055
  239    HE2  PHE  38           HE2      PHE  38  -3.524  -3.344  -9.995
  240    HZ   PHE  38           HZ       PHE  38  -2.838  -5.701 -10.326
  241    H    SER  39           H        SER  39   0.420   1.181 -11.231
  242    HA   SER  39           HA       SER  39   1.705   2.879 -13.013
  243   1HB   SER  39          2HB       SER  39   2.825   1.719 -10.473
  244   2HB   SER  39          1HB       SER  39   3.521   3.090 -11.320
  245    HG   SER  39           HG       SER  39   1.866   4.309 -10.725
  246    H    ARG  40           H        ARG  40   4.033   2.808 -13.787
  247    HA   ARG  40           HA       ARG  40   4.582   0.108 -14.821
  248   1HB   ARG  40          2HB       ARG  40   4.944   2.788 -15.807
  249   2HB   ARG  40          1HB       ARG  40   6.478   1.920 -15.845
  250   1HG   ARG  40          2HG       ARG  40   5.102  -0.022 -16.885
  251   2HG   ARG  40          1HG       ARG  40   3.882   1.212 -17.203
  252   1HD   ARG  40          2HD       ARG  40   6.777   1.452 -18.063
  253   2HD   ARG  40          1HD       ARG  40   5.491   0.848 -19.108
  254    HE   ARG  40           HE       ARG  40   4.520   3.285 -18.232
  255   1HH1  ARG  40          1HH2      ARG  40   7.500   3.938 -18.033
  256   2HH1  ARG  40          2HH2      ARG  40   7.789   4.641 -19.588
  257   1HH2  ARG  40          1HH1      ARG  40   4.853   3.429 -20.978
  258   2HH2  ARG  40          2HH1      ARG  40   6.291   4.353 -21.255
  259    H    ALA  41           H        ALA  41   6.772  -0.785 -14.662
  260    HA   ALA  41           HA       ALA  41   7.893  -0.815 -12.126
  261   1HB   ALA  41          1HB       ALA  41  10.139  -1.203 -13.558
  262   2HB   ALA  41          2HB       ALA  41   8.952  -1.389 -14.848
  263   3HB   ALA  41          3HB       ALA  41   8.881  -2.432 -13.428
  264    H    GLY  42           H        GLY  42   9.884   0.212 -11.284
  265   1HA   GLY  42          2HA       GLY  42  11.424   2.039 -11.160
  266   2HA   GLY  42          1HA       GLY  42  10.638   2.742 -12.564
  267    H    LYS  43           H        LYS  43   8.597   1.544 -10.009
  268    HA   LYS  43           HA       LYS  43   7.916   4.376  -9.412
  269   1HB   LYS  43          2HB       LYS  43   6.026   3.075 -10.163
  270   2HB   LYS  43          1HB       LYS  43   6.366   1.828  -8.970
  271   1HG   LYS  43          2HG       LYS  43   4.638   3.092  -7.974
  272   2HG   LYS  43          1HG       LYS  43   6.102   3.704  -7.213
  273   1HD   LYS  43          2HD       LYS  43   6.103   5.675  -8.502
  274   2HD   LYS  43          1HD       LYS  43   5.026   4.985  -9.716
  275   1HE   LYS  43          2HE       LYS  43   3.177   5.590  -8.566
  276   2HE   LYS  43          1HE       LYS  43   3.838   4.995  -7.043
  277   1HZ   LYS  43          1HZ       LYS  43   3.621   7.639  -7.910
  278   2HZ   LYS  43          2HZ       LYS  43   5.277   7.270  -7.820
  279   3HZ   LYS  43          3HZ       LYS  43   4.283   7.066  -6.456
  280    H    ILE  44           H        ILE  44   8.613   5.228  -7.520
  281    HA   ILE  44           HA       ILE  44   9.825   3.495  -5.505
  282    HB   ILE  44           HB       ILE  44  10.898   5.603  -5.859
  283   1HG1  ILE  44          2HG1      ILE  44  10.630   6.714  -3.617
  284   2HG1  ILE  44          1HG1      ILE  44   9.251   5.657  -3.312
  285   1HG2  ILE  44          1HG2      ILE  44   9.370   7.029  -6.865
  286   2HG2  ILE  44          2HG2      ILE  44   9.400   7.704  -5.235
  287   3HG2  ILE  44          3HG2      ILE  44   8.088   6.630  -5.720
  288   1HD1  ILE  44          1HD1      ILE  44  10.611   3.699  -3.365
  289   2HD1  ILE  44          2HD1      ILE  44  11.502   4.864  -2.386
  290   3HD1  ILE  44          3HD1      ILE  44  11.973   4.577  -4.060
  291    H    CYS  45           H        CYS  45   8.195   2.266  -4.517
  292    HA   CYS  45           HA       CYS  45   5.748   3.566  -3.524
  293   1HB   CYS  45          2HB       CYS  45   5.142   1.331  -2.745
  294   2HB   CYS  45          1HB       CYS  45   5.731   1.236  -4.396
  295    H    ARG  46           H        ARG  46   8.924   2.939  -2.408
  296    HA   ARG  46           HA       ARG  46   8.365   4.204   0.152
  297   1HB   ARG  46          2HB       ARG  46   7.632   1.780   0.468
  298   2HB   ARG  46          1HB       ARG  46   9.325   1.337   0.255
  299   1HG   ARG  46          2HG       ARG  46   9.544   1.687   2.478
  300   2HG   ARG  46          1HG       ARG  46   9.446   3.406   2.096
  301   1HD   ARG  46          2HD       ARG  46   7.511   3.541   3.236
  302   2HD   ARG  46          1HD       ARG  46   6.785   2.382   2.123
  303    HE   ARG  46           HE       ARG  46   7.589   1.813   4.825
  304   1HH1  ARG  46          1HH1      ARG  46   5.764   0.368   2.679
  305   2HH1  ARG  46          2HH1      ARG  46   6.499  -1.201   2.707
  306   1HH2  ARG  46          1HH2      ARG  46   9.322  -0.139   4.421
  307   2HH2  ARG  46          2HH2      ARG  46   8.513  -1.488   3.693
  308    H    ILE  47           H        ILE  47  10.305   4.916   1.134
  309    HA   ILE  47           HA       ILE  47  12.698   4.687  -0.598
  310    HB   ILE  47           HB       ILE  47  12.185   6.935   0.057
  311   1HG1  ILE  47          2HG1      ILE  47  14.202   7.586   1.208
  312   2HG1  ILE  47          1HG1      ILE  47  14.347   5.998   1.966
  313   1HG2  ILE  47          1HG2      ILE  47  10.770   6.894   1.879
  314   2HG2  ILE  47          2HG2      ILE  47  12.275   7.302   2.703
  315   3HG2  ILE  47          3HG2      ILE  47  11.693   5.636   2.702
  316   1HD1  ILE  47          1HD1      ILE  47  14.214   6.051  -1.007
  317   2HD1  ILE  47          2HD1      ILE  47  15.157   5.009   0.059
  318   3HD1  ILE  47          3HD1      ILE  47  15.697   6.655  -0.270
  319    H    ALA  48           H        ALA  48  14.350   3.325  -0.069
  320    HA   ALA  48           HA       ALA  48  14.220   1.522   2.109
  321   1HB   ALA  48          1HB       ALA  48  15.948   1.946  -0.070
  322   2HB   ALA  48          2HB       ALA  48  16.003   0.608   1.078
  323   3HB   ALA  48          3HB       ALA  48  16.967   2.056   1.363
  324    H    ARG  49           H        ARG  49  16.198   1.425   3.718
  325    HA   ARG  49           HA       ARG  49  16.620   4.135   4.894
  326   1HB   ARG  49          2HB       ARG  49  16.418   1.854   6.747
  327   2HB   ARG  49          1HB       ARG  49  15.844   3.505   6.945
  328   1HG   ARG  49          2HG       ARG  49  13.800   2.490   6.680
  329   2HG   ARG  49          1HG       ARG  49  14.189   2.703   4.972
  330   1HD   ARG  49          2HD       ARG  49  13.661   0.438   5.021
  331   2HD   ARG  49          1HD       ARG  49  15.405   0.380   5.274
  332    HE   ARG  49           HE       ARG  49  14.923   0.114   7.715
  333   1HH1  ARG  49          1HH2      ARG  49  11.936   0.759   6.538
  334   2HH1  ARG  49          2HH2      ARG  49  11.171  -0.697   7.082
  335   1HH2  ARG  49          1HH1      ARG  49  14.146  -2.259   7.934
  336   2HH2  ARG  49          2HH1      ARG  49  12.422  -2.405   7.871
  337    H    GLY  50           H        GLY  50  18.560   3.034   3.277
  338   1HA   GLY  50          2HA       GLY  50  20.828   2.922   4.983
  339   2HA   GLY  50          1HA       GLY  50  20.389   1.276   4.546
  340    H    ASP  51           H        ASP  51  21.903   0.705   3.065
  341    HA   ASP  51           HA       ASP  51  22.797   2.579   1.011
  342   1HB   ASP  51          2HB       ASP  51  23.945   0.378   2.314
  343   2HB   ASP  51          1HB       ASP  51  23.743  -0.100   0.629
  344    H    TRP  52           H        TRP  52  21.343  -0.603   1.113
  345    HA   TRP  52           HA       TRP  52  20.877  -1.338  -1.445
  346   1HB   TRP  52          2HB       TRP  52  18.408  -1.841  -0.579
  347   2HB   TRP  52          1HB       TRP  52  19.794  -2.717   0.078
  348    HD1  TRP  52           HD1      TRP  52  18.053   0.648   0.816
  349    HE1  TRP  52           HE1      TRP  52  17.910   0.945   3.356
  350    HE3  TRP  52           HE3      TRP  52  20.373  -3.613   2.313
  351    HZ2  TRP  52           HZ2      TRP  52  18.683  -0.441   5.738
  352    HZ3  TRP  52           HZ3      TRP  52  20.670  -4.113   4.727
  353    HH2  TRP  52           HH2      TRP  52  19.829  -2.527   6.441
  354    H    ASN  53           H        ASN  53  19.222  -0.913  -3.045
  355    HA   ASN  53           HA       ASN  53  18.760   1.878  -3.519
  356   1HB   ASN  53          2HB       ASN  53  18.468  -0.561  -4.962
  357   2HB   ASN  53          1HB       ASN  53  16.923   0.289  -5.033
  358   1HD2  ASN  53          1HD2      ASN  53  17.947   0.315  -7.452
  359   2HD2  ASN  53          2HD2      ASN  53  18.790   1.740  -7.827
  360    H    ASP  54           H        ASP  54  16.182   2.193  -4.337
  361    HA   ASP  54           HA       ASP  54  14.757   2.318  -1.775
  362   1HB   ASP  54          2HB       ASP  54  13.310   3.071  -4.221
  363   2HB   ASP  54          1HB       ASP  54  13.506   3.960  -2.718
  364    H    ASP  55           H        ASP  55  12.107   2.052  -2.714
  365    HA   ASP  55           HA       ASP  55  12.008  -0.895  -3.157
  366   1HB   ASP  55          2HB       ASP  55  10.985   0.400  -1.067
  367   2HB   ASP  55          1HB       ASP  55   9.648   0.610  -2.189
  368    H    ARG  56           H        ARG  56  12.368   0.035  -5.491
  369    HA   ARG  56           HA       ARG  56  10.365   1.373  -6.955
  370   1HB   ARG  56          2HB       ARG  56  12.788   0.243  -7.521
  371   2HB   ARG  56          1HB       ARG  56  11.689  -0.866  -8.341
  372   1HG   ARG  56          2HG       ARG  56  11.740   0.648 -10.018
  373   2HG   ARG  56          1HG       ARG  56  10.619   1.566  -9.010
  374   1HD   ARG  56          2HD       ARG  56  12.503   2.986  -9.717
  375   2HD   ARG  56          1HD       ARG  56  12.532   2.744  -7.970
  376    HE   ARG  56           HE       ARG  56  14.475   1.361  -8.226
  377   1HH1  ARG  56          1HH2      ARG  56  13.666  -0.066 -10.739
  378   2HH1  ARG  56          2HH2      ARG  56  14.788   0.574 -11.893
  379   1HH2  ARG  56          1HH1      ARG  56  15.699   3.268  -9.912
  380   2HH2  ARG  56          2HH1      ARG  56  15.940   2.460 -11.426
  381    H    CYS  57           H        CYS  57   8.646   0.595  -8.265
  382    HA   CYS  57           HA       CYS  57   7.466  -1.963  -7.301
  383   1HB   CYS  57          2HB       CYS  57   6.136   0.074  -9.096
  384   2HB   CYS  57          1HB       CYS  57   5.371  -1.185  -8.139
  385    H    THR  58           H        THR  58   6.707  -3.466  -8.950
  386    HA   THR  58           HA       THR  58   8.497  -3.652 -11.230
  387    HB   THR  58           HB       THR  58   7.528  -5.769 -11.596
  388    HG1  THR  58           HG1      THR  58   5.451  -6.132 -11.368
  389   1HG2  THR  58          1HG2      THR  58   7.682  -6.788  -9.519
  390   2HG2  THR  58          2HG2      THR  58   6.763  -5.517  -8.712
  391   3HG2  THR  58          3HG2      THR  58   8.444  -5.236  -9.171
  392    H    GLY  59           H        GLY  59   6.856  -4.547 -13.295
  393   1HA   GLY  59          2HA       GLY  59   5.505  -2.004 -14.047
  394   2HA   GLY  59          1HA       GLY  59   6.076  -3.225 -15.184
  395    H    GLN  60           H        GLN  60   4.508  -4.532 -12.450
  396    HA   GLN  60           HA       GLN  60   1.828  -4.487 -13.695
  397   1HB   GLN  60          2HB       GLN  60   2.859  -7.192 -12.956
  398   2HB   GLN  60          1HB       GLN  60   1.678  -6.740 -14.183
  399   1HG   GLN  60          2HG       GLN  60   3.397  -5.963 -15.672
  400   2HG   GLN  60          1HG       GLN  60   4.625  -6.091 -14.414
  401   1HE2  GLN  60          1HE2      GLN  60   2.077  -8.367 -15.605
  402   2HE2  GLN  60          2HE2      GLN  60   3.148  -9.662 -15.845
  403    H    SER  61           H        SER  61   3.466  -3.885 -11.067
  404    HA   SER  61           HA       SER  61   1.669  -5.369  -9.201
  405   1HB   SER  61          2HB       SER  61   3.336  -5.274  -7.618
  406   2HB   SER  61          1HB       SER  61   4.343  -5.198  -9.060
  407    HG   SER  61           HG       SER  61   4.929  -3.511  -7.740
  408    H    ALA  62           H        ALA  62   0.084  -4.241  -8.165
  409    HA   ALA  62           HA       ALA  62   0.013  -1.294  -8.548
  410   1HB   ALA  62          1HB       ALA  62  -2.337  -2.060  -7.258
  411   2HB   ALA  62          2HB       ALA  62  -1.982  -3.415  -8.329
  412   3HB   ALA  62          3HB       ALA  62  -2.148  -1.787  -8.990
  413    H    ASP  63           H        ASP  63   0.786  -3.618  -6.180
  414    HA   ASP  63           HA       ASP  63   0.385  -1.610  -4.007
  415   1HB   ASP  63          2HB       ASP  63   0.913  -4.529  -3.595
  416   2HB   ASP  63          1HB       ASP  63   0.221  -3.381  -2.457
  417    H    CYS  64           H        CYS  64   2.170  -2.663  -2.148
  418    HA   CYS  64           HA       CYS  64   4.803  -2.763  -3.511
  419   1HB   CYS  64          2HB       CYS  64   4.571  -0.404  -3.134
  420   2HB   CYS  64          1HB       CYS  64   3.952  -0.662  -1.504
  421    HA   PRO  65           HA       PRO  65   5.163  -5.719  -0.240
  422   1HB   PRO  65          2HB       PRO  65   7.493  -6.769  -1.220
  423   2HB   PRO  65          1HB       PRO  65   5.901  -7.206  -1.839
  424   1HG   PRO  65          2HG       PRO  65   8.012  -5.515  -3.067
  425   2HG   PRO  65          1HG       PRO  65   6.695  -6.407  -3.847
  426   1HD   PRO  65          2HD       PRO  65   6.766  -3.616  -3.336
  427   2HD   PRO  65          1HD       PRO  65   5.359  -4.558  -3.874
  428    H    ARG  66           H        ARG  66   7.793  -6.459   0.596
  429    HA   ARG  66           HA       ARG  66   8.972  -3.891   1.482
  430   1HB   ARG  66          2HB       ARG  66   9.242  -4.773   3.750
  431   2HB   ARG  66          1HB       ARG  66   7.538  -4.815   3.294
  432   1HG   ARG  66          2HG       ARG  66   8.549  -7.259   2.392
  433   2HG   ARG  66          1HG       ARG  66   9.322  -7.020   3.959
  434   1HD   ARG  66          2HD       ARG  66   6.941  -6.368   4.780
  435   2HD   ARG  66          1HD       ARG  66   6.385  -7.179   3.316
  436    HE   ARG  66           HE       ARG  66   8.155  -8.971   4.553
  437   1HH1  ARG  66          1HH2      ARG  66   4.953  -7.830   4.643
  438   2HH1  ARG  66          2HH2      ARG  66   4.471  -8.827   5.974
  439   1HH2  ARG  66          1HH1      ARG  66   7.662 -10.052   6.557
  440   2HH2  ARG  66          2HH1      ARG  66   6.004 -10.083   7.060
  441    H    TYR  67           H        TYR  67  10.664  -4.254  -0.066
  442    HA   TYR  67           HA       TYR  67  12.162  -6.651  -0.302
  443   1HB   TYR  67          2HB       TYR  67  12.265  -4.053  -1.390
  444   2HB   TYR  67          1HB       TYR  67  13.845  -4.349  -0.670
  445    HD1  TYR  67           HD1      TYR  67  11.317  -6.474  -2.459
  446    HD2  TYR  67           HD2      TYR  67  15.392  -5.140  -2.212
  447    HE1  TYR  67           HE1      TYR  67  11.916  -7.952  -4.358
  448    HE2  TYR  67           HE2      TYR  67  15.992  -6.617  -4.111
  449    HH   TYR  67           HH       TYR  67  14.931  -8.873  -5.087
  450    H    HIS  68           HN       HIS  68  12.489  -3.918   1.924
  451    HA   HIS  68           HA       HIS  68  14.174  -5.611   3.659
  452   1HB   HIS  68          2HB       HIS  68  15.106  -3.039   2.379
  453   2HB   HIS  68          1HB       HIS  68  15.790  -3.609   3.902
  454    HD1  HIS  68           HD1      HIS  68  17.045  -3.538   0.818
  455    HD2  HIS  68           HD2      HIS  68  15.963  -6.843   3.117
  456    HE1  HIS  68           HE1      HIS  68  18.342  -5.509  -0.105
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  -9.920 -15.697  -2.342
    2   2H    GLY   1          2HT       GLY   1 -10.334 -14.797  -3.722
    3   3H    GLY   1          3HT       GLY   1 -11.214 -16.194  -3.320
    4   1HA   GLY   1          1HA       GLY   1 -12.651 -14.685  -2.480
    5   2HA   GLY   1          2HA       GLY   1 -11.584 -14.854  -1.087
    6    H    LYS   2           H        LYS   2 -12.318 -12.588  -0.630
    7    HA   LYS   2           HA       LYS   2 -11.908 -10.280  -0.603
    8   1HB   LYS   2          2HB       LYS   2  -9.568 -11.093  -0.317
    9   2HB   LYS   2          1HB       LYS   2  -9.378 -11.080  -2.071
   10   1HG   LYS   2          2HG       LYS   2  -9.222  -8.808  -2.170
   11   2HG   LYS   2          1HG       LYS   2 -10.426  -8.572  -0.902
   12   1HD   LYS   2          2HD       LYS   2  -7.567  -9.477  -0.445
   13   2HD   LYS   2          1HD       LYS   2  -8.173  -7.843  -0.166
   14   1HE   LYS   2          2HE       LYS   2  -9.982  -9.162   1.287
   15   2HE   LYS   2          1HE       LYS   2  -8.677 -10.344   1.387
   16   1HZ   LYS   2          1HZ       LYS   2  -7.567  -7.820   1.776
   17   2HZ   LYS   2          2HZ       LYS   2  -7.714  -9.081   2.904
   18   3HZ   LYS   2          3HZ       LYS   2  -8.940  -7.913   2.766
   19    H    GLU   3           H        GLU   3 -13.759 -10.470  -2.315
   20    HA   GLU   3           HA       GLU   3 -12.905  -9.840  -5.063
   21   1HB   GLU   3          2HB       GLU   3 -15.218 -10.961  -3.883
   22   2HB   GLU   3          1HB       GLU   3 -15.712  -9.443  -4.632
   23   1HG   GLU   3          2HG       GLU   3 -15.859 -11.292  -6.251
   24   2HG   GLU   3          1HG       GLU   3 -14.626 -10.129  -6.741
   25    H    CYS   4           H        CYS   4 -12.025  -7.925  -3.193
   26    HA   CYS   4           HA       CYS   4 -13.705  -5.597  -4.007
   27   1HB   CYS   4          2HB       CYS   4 -12.297  -6.048  -1.363
   28   2HB   CYS   4          1HB       CYS   4 -12.976  -4.498  -1.858
   29    H    ASP   5           H        ASP   5 -12.382  -5.089  -5.762
   30    HA   ASP   5           HA       ASP   5  -9.489  -4.905  -5.516
   31   1HB   ASP   5          2HB       ASP   5 -11.176  -5.153  -7.638
   32   2HB   ASP   5          1HB       ASP   5 -10.825  -3.427  -7.704
   33    H    CYS   6           H        CYS   6 -11.978  -2.937  -4.431
   34    HA   CYS   6           HA       CYS   6 -10.134  -0.583  -4.397
   35   1HB   CYS   6          2HB       CYS   6 -12.324   0.788  -4.384
   36   2HB   CYS   6          1HB       CYS   6 -11.831   0.068  -5.917
   37    H    SER   7           H        SER   7 -10.138   0.619  -2.451
   38    HA   SER   7           HA       SER   7 -11.354  -0.821  -0.147
   39   1HB   SER   7          2HB       SER   7  -9.641   0.032   1.173
   40   2HB   SER   7          1HB       SER   7  -8.820  -0.091  -0.382
   41    HG   SER   7           HG       SER   7 -10.037   2.199   0.778
   42    H    SER   8           H        SER   8 -11.389   2.235  -1.863
   43    HA   SER   8           HA       SER   8 -13.290   3.324   0.160
   44   1HB   SER   8          2HB       SER   8 -12.712   5.321  -1.722
   45   2HB   SER   8          1HB       SER   8 -12.058   5.193  -0.091
   46    HG   SER   8           HG       SER   8 -10.290   4.180  -0.876
   47    HA   PRO   9           HA       PRO   9 -16.297   2.389  -3.042
   48   1HB   PRO   9          2HB       PRO   9 -18.480   2.817  -1.430
   49   2HB   PRO   9          1HB       PRO   9 -17.541   1.314  -1.428
   50   1HG   PRO   9          2HG       PRO   9 -17.575   3.507   0.589
   51   2HG   PRO   9          1HG       PRO   9 -17.181   1.794   0.803
   52   1HD   PRO   9          2HD       PRO   9 -15.316   3.920   0.610
   53   2HD   PRO   9          1HD       PRO   9 -14.942   2.185   0.515
   54    H    GLU  10           H        GLU  10 -15.081   5.059  -2.908
   55    HA   GLU  10           HA       GLU  10 -17.393   6.613  -3.884
   56   1HB   GLU  10          2HB       GLU  10 -16.375   7.023  -1.286
   57   2HB   GLU  10          1HB       GLU  10 -15.722   8.339  -2.265
   58   1HG   GLU  10          2HG       GLU  10 -17.775   9.243  -1.670
   59   2HG   GLU  10          1HG       GLU  10 -18.202   8.451  -3.188
   60    H    ASN  11           H        ASN  11 -14.630   5.373  -4.658
   61    HA   ASN  11           HA       ASN  11 -13.385   7.802  -5.780
   62   1HB   ASN  11          2HB       ASN  11 -11.417   6.458  -6.125
   63   2HB   ASN  11          1HB       ASN  11 -11.998   6.120  -4.502
   64   1HD2  ASN  11          1HD2      ASN  11 -10.488   4.112  -5.291
   65   2HD2  ASN  11          2HD2      ASN  11 -11.369   2.793  -5.893
   66    HA   PRO  12           HA       PRO  12 -14.797   6.843  -9.816
   67   1HB   PRO  12          2HB       PRO  12 -12.690   7.733 -11.339
   68   2HB   PRO  12          1HB       PRO  12 -13.833   8.808 -10.513
   69   1HG   PRO  12          2HG       PRO  12 -11.012   8.169  -9.801
   70   2HG   PRO  12          1HG       PRO  12 -11.967   9.611  -9.419
   71   1HD   PRO  12          2HD       PRO  12 -11.399   7.462  -7.655
   72   2HD   PRO  12          1HD       PRO  12 -12.579   8.762  -7.381
   73    H    CYS  13           H        CYS  13 -13.283   4.593  -8.481
   74    HA   CYS  13           HA       CYS  13 -12.787   3.043 -10.916
   75   1HB   CYS  13          2HB       CYS  13 -10.613   4.182  -9.395
   76   2HB   CYS  13          1HB       CYS  13 -10.557   2.423  -9.293
   77    H    CYS  14           H        CYS  14 -14.531   3.158  -8.421
   78    HA   CYS  14           HA       CYS  14 -14.073   0.321  -7.597
   79   1HB   CYS  14          2HB       CYS  14 -13.483   1.876  -5.756
   80   2HB   CYS  14          1HB       CYS  14 -15.096   2.581  -5.848
   81    H    ASP  15           H        ASP  15 -16.032  -0.863  -7.127
   82    HA   ASP  15           HA       ASP  15 -18.527   0.420  -8.150
   83   1HB   ASP  15          2HB       ASP  15 -17.219  -1.379  -9.629
   84   2HB   ASP  15          1HB       ASP  15 -18.108  -2.480  -8.583
   85    H    ALA  16           H        ALA  16 -19.949   0.467  -6.487
   86    HA   ALA  16           HA       ALA  16 -19.650  -1.061  -4.096
   87   1HB   ALA  16          1HB       ALA  16 -21.388   0.193  -3.328
   88   2HB   ALA  16          2HB       ALA  16 -22.376  -0.130  -4.753
   89   3HB   ALA  16          3HB       ALA  16 -21.130   1.116  -4.809
   90    H    ALA  17           H        ALA  17 -21.252  -1.737  -7.124
   91    HA   ALA  17           HA       ALA  17 -23.084  -3.733  -6.253
   92   1HB   ALA  17          1HB       ALA  17 -23.529  -3.779  -8.457
   93   2HB   ALA  17          2HB       ALA  17 -21.938  -4.463  -8.788
   94   3HB   ALA  17          3HB       ALA  17 -22.151  -2.714  -8.730
   95    H    THR  18           H        THR  18 -19.672  -3.731  -6.245
   96    HA   THR  18           HA       THR  18 -19.553  -6.375  -5.103
   97    HB   THR  18           HB       THR  18 -19.384  -7.614  -6.987
   98    HG1  THR  18           HG1      THR  18 -17.413  -7.607  -7.976
   99   1HG2  THR  18          1HG2      THR  18 -19.331  -4.924  -8.319
  100   2HG2  THR  18          2HG2      THR  18 -20.542  -6.201  -8.434
  101   3HG2  THR  18          3HG2      THR  18 -18.995  -6.375  -9.264
  102    H    CYS  19           H        CYS  19 -18.664  -3.588  -4.681
  103    HA   CYS  19           HA       CYS  19 -16.706  -2.341  -4.204
  104   1HB   CYS  19          2HB       CYS  19 -15.371  -3.452  -2.471
  105   2HB   CYS  19          1HB       CYS  19 -17.085  -3.760  -2.210
  106    H    LYS  20           H        LYS  20 -16.551  -3.811  -6.796
  107    HA   LYS  20           HA       LYS  20 -13.598  -4.281  -6.844
  108   1HB   LYS  20          2HB       LYS  20 -15.870  -5.541  -8.334
  109   2HB   LYS  20          1HB       LYS  20 -14.293  -5.435  -9.117
  110   1HG   LYS  20          2HG       LYS  20 -14.024  -6.333  -6.367
  111   2HG   LYS  20          1HG       LYS  20 -15.110  -7.387  -7.275
  112   1HD   LYS  20          2HD       LYS  20 -12.492  -6.513  -8.474
  113   2HD   LYS  20          1HD       LYS  20 -12.548  -7.873  -7.352
  114   1HE   LYS  20          2HE       LYS  20 -13.491  -9.235  -8.891
  115   2HE   LYS  20          1HE       LYS  20 -14.652  -8.002  -9.384
  116   1HZ   LYS  20          1HZ       LYS  20 -12.727  -8.822 -10.969
  117   2HZ   LYS  20          2HZ       LYS  20 -11.860  -7.611 -10.149
  118   3HZ   LYS  20          3HZ       LYS  20 -13.283  -7.219 -10.994
  119    H    LEU  21           H        LEU  21 -12.566  -3.682  -8.978
  120    HA   LEU  21           HA       LEU  21 -12.724  -0.992  -9.569
  121   1HB   LEU  21          2HB       LEU  21 -11.955  -3.365 -11.226
  122   2HB   LEU  21          1HB       LEU  21 -12.063  -1.786 -12.005
  123    HG   LEU  21           HG       LEU  21 -10.469  -2.288  -9.480
  124   1HD1  LEU  21          1HD1      LEU  21  -9.835  -3.398 -11.871
  125   2HD1  LEU  21          2HD1      LEU  21  -8.626  -2.842 -10.714
  126   3HD1  LEU  21          3HD1      LEU  21  -9.096  -1.808 -12.065
  127   1HD2  LEU  21          1HD2      LEU  21 -10.476  -0.024  -9.483
  128   2HD2  LEU  21          2HD2      LEU  21 -11.190   0.041 -11.095
  129   3HD2  LEU  21          3HD2      LEU  21  -9.443  -0.126 -10.910
  130    H    ARG  22           H        ARG  22 -14.285   0.289 -10.399
  131    HA   ARG  22           HA       ARG  22 -16.699  -0.935 -11.510
  132   1HB   ARG  22          2HB       ARG  22 -17.366   0.877 -10.271
  133   2HB   ARG  22          1HB       ARG  22 -15.897   1.786 -10.598
  134   1HG   ARG  22          2HG       ARG  22 -16.690   2.560 -12.673
  135   2HG   ARG  22          1HG       ARG  22 -17.879   1.262 -12.806
  136   1HD   ARG  22          2HD       ARG  22 -18.507   2.643 -10.424
  137   2HD   ARG  22          1HD       ARG  22 -18.189   3.885 -11.635
  138    HE   ARG  22           HE       ARG  22 -19.961   1.708 -12.516
  139   1HH1  ARG  22          1HH2      ARG  22 -20.651   3.777 -10.128
  140   2HH1  ARG  22          2HH2      ARG  22 -21.778   4.770 -10.993
  141   1HH2  ARG  22          1HH1      ARG  22 -20.969   3.445 -14.094
  142   2HH2  ARG  22          2HH1      ARG  22 -21.957   4.581 -13.239
  143    HA   PRO  23           HA       PRO  23 -15.164   1.256 -15.458
  144   1HB   PRO  23          2HB       PRO  23 -12.716   2.498 -15.376
  145   2HB   PRO  23          1HB       PRO  23 -14.236   3.315 -14.974
  146   1HG   PRO  23          2HG       PRO  23 -12.077   2.368 -13.151
  147   2HG   PRO  23          1HG       PRO  23 -13.255   3.669 -12.915
  148   1HD   PRO  23          2HD       PRO  23 -13.391   1.070 -11.791
  149   2HD   PRO  23          1HD       PRO  23 -14.692   2.279 -11.810
  150    H    GLY  24           H        GLY  24 -12.905   1.047 -16.932
  151   1HA   GLY  24          2HA       GLY  24 -12.102  -1.777 -16.521
  152   2HA   GLY  24          1HA       GLY  24 -11.857  -0.842 -17.997
  153    H    ALA  25           H        ALA  25 -11.066   0.637 -14.968
  154    HA   ALA  25           HA       ALA  25  -8.382   1.193 -15.710
  155   1HB   ALA  25          1HB       ALA  25  -9.635   2.473 -14.000
  156   2HB   ALA  25          2HB       ALA  25  -8.087   1.903 -13.374
  157   3HB   ALA  25          3HB       ALA  25  -9.578   1.075 -12.927
  158    H    GLN  26           H        GLN  26  -6.539   0.487 -14.036
  159    HA   GLN  26           HA       GLN  26  -6.559  -2.494 -14.061
  160   1HB   GLN  26          2HB       GLN  26  -4.625  -0.551 -14.817
  161   2HB   GLN  26          1HB       GLN  26  -3.985  -1.415 -13.418
  162   1HG   GLN  26          2HG       GLN  26  -3.981  -3.460 -14.511
  163   2HG   GLN  26          1HG       GLN  26  -5.285  -2.990 -15.600
  164   1HE2  GLN  26          1HE2      GLN  26  -4.725  -1.629 -17.469
  165   2HE2  GLN  26          2HE2      GLN  26  -3.118  -1.495 -17.998
  166    H    CYS  27           H        CYS  27  -6.950   0.084 -11.957
  167    HA   CYS  27           HA       CYS  27  -6.985  -1.580  -9.636
  168   1HB   CYS  27          2HB       CYS  27  -5.047  -0.539  -8.439
  169   2HB   CYS  27          1HB       CYS  27  -4.555  -1.530  -9.813
  170    H    GLY  28           H        GLY  28  -7.639  -0.350  -7.727
  171   1HA   GLY  28          2HA       GLY  28  -8.767   2.305  -8.482
  172   2HA   GLY  28          1HA       GLY  28  -9.431   1.253  -7.233
  173    H    GLU  29           H        GLU  29  -6.236   0.948  -6.729
  174    HA   GLU  29           HA       GLU  29  -5.417   3.440  -5.611
  175   1HB   GLU  29          2HB       GLU  29  -5.942   3.197  -3.287
  176   2HB   GLU  29          1HB       GLU  29  -7.445   2.909  -4.163
  177   1HG   GLU  29          2HG       GLU  29  -7.530   1.017  -2.895
  178   2HG   GLU  29          1HG       GLU  29  -6.414   0.391  -4.107
  179    H    GLY  30           H        GLY  30  -3.264   3.275  -5.055
  180   1HA   GLY  30          1HA       GLY  30  -2.030   1.001  -3.853
  181   2HA   GLY  30          2HA       GLY  30  -1.783   0.918  -5.588
  182    H    LEU  31           H        LEU  31   0.197   1.405  -3.447
  183    HA   LEU  31           HA       LEU  31   1.006   4.137  -3.384
  184   1HB   LEU  31          2HB       LEU  31   2.095   1.620  -2.555
  185   2HB   LEU  31          1HB       LEU  31   3.345   2.564  -3.343
  186    HG   LEU  31           HG       LEU  31   1.612   3.410  -1.010
  187   1HD1  LEU  31          1HD1      LEU  31   3.718   3.555   0.182
  188   2HD1  LEU  31          2HD1      LEU  31   4.623   3.210  -1.291
  189   3HD1  LEU  31          3HD1      LEU  31   3.615   1.959  -0.563
  190   1HD2  LEU  31          1HD2      LEU  31   3.503   5.385  -1.403
  191   2HD2  LEU  31          2HD2      LEU  31   1.814   5.493  -1.895
  192   3HD2  LEU  31          3HD2      LEU  31   3.038   4.975  -3.054
  193    H    CYS  32           H        CYS  32   1.310   1.673  -5.806
  194    HA   CYS  32           HA       CYS  32   2.830   3.590  -7.517
  195   1HB   CYS  32          2HB       CYS  32   3.011   0.619  -7.921
  196   2HB   CYS  32          1HB       CYS  32   4.166   1.872  -8.372
  197    H    CYS  33           H        CYS  33   0.097   3.697  -7.508
  198    HA   CYS  33           HA       CYS  33  -0.565   2.471 -10.146
  199   1HB   CYS  33          2HB       CYS  33  -1.721   1.763  -7.637
  200   2HB   CYS  33          1HB       CYS  33  -2.938   2.654  -8.552
  201    H    GLU  34           H        GLU  34  -1.325   4.009 -11.538
  202    HA   GLU  34           HA       GLU  34  -1.557   6.749 -10.836
  203   1HB   GLU  34          2HB       GLU  34  -1.574   5.349 -13.191
  204   2HB   GLU  34          1HB       GLU  34  -3.253   5.864 -13.063
  205   1HG   GLU  34          2HG       GLU  34  -1.652   8.083 -12.310
  206   2HG   GLU  34          1HG       GLU  34  -0.971   7.432 -13.801
  207    H    GLN  35           H        GLN  35  -3.905   7.840 -11.469
  208    HA   GLN  35           HA       GLN  35  -5.585   7.308  -9.260
  209   1HB   GLN  35          2HB       GLN  35  -5.545   9.319 -10.964
  210   2HB   GLN  35          1HB       GLN  35  -6.746   8.357 -11.825
  211   1HG   GLN  35          2HG       GLN  35  -8.189   9.470 -10.435
  212   2HG   GLN  35          1HG       GLN  35  -7.746   8.174  -9.323
  213   1HE2  GLN  35          1HE2      GLN  35  -6.633   8.759  -7.414
  214   2HE2  GLN  35          2HE2      GLN  35  -6.097  10.334  -7.077
  215    H    CYS  36           H        CYS  36  -5.275   5.672 -12.282
  216    HA   CYS  36           HA       CYS  36  -7.096   3.598 -11.402
  217   1HB   CYS  36          2HB       CYS  36  -7.879   5.492 -13.601
  218   2HB   CYS  36          1HB       CYS  36  -8.396   3.811 -13.664
  219    H    LYS  37           H        LYS  37  -4.310   3.707 -12.084
  220    HA   LYS  37           HA       LYS  37  -4.317   1.666 -14.231
  221   1HB   LYS  37          2HB       LYS  37  -2.857   4.306 -14.428
  222   2HB   LYS  37          1HB       LYS  37  -2.377   2.890 -15.363
  223   1HG   LYS  37          2HG       LYS  37  -5.174   4.052 -15.384
  224   2HG   LYS  37          1HG       LYS  37  -3.945   4.428 -16.591
  225   1HD   LYS  37          2HD       LYS  37  -4.166   1.559 -16.180
  226   2HD   LYS  37          1HD       LYS  37  -5.718   2.259 -16.643
  227   1HE   LYS  37          2HE       LYS  37  -3.781   3.511 -18.277
  228   2HE   LYS  37          1HE       LYS  37  -3.386   1.793 -18.280
  229   1HZ   LYS  37          1HZ       LYS  37  -5.585   1.257 -18.959
  230   2HZ   LYS  37          2HZ       LYS  37  -5.020   2.476 -20.001
  231   3HZ   LYS  37          3HZ       LYS  37  -6.113   2.855 -18.757
  232    H    PHE  38           H        PHE  38  -2.060   0.695 -14.458
  233    HA   PHE  38           HA       PHE  38  -0.888   0.422 -11.745
  234   1HB   PHE  38          2HB       PHE  38  -0.858  -1.204 -14.255
  235   2HB   PHE  38          1HB       PHE  38   0.510  -1.354 -13.158
  236    HD1  PHE  38           HD1      PHE  38  -2.252  -3.060 -13.961
  237    HD2  PHE  38           HD2      PHE  38  -0.607  -1.101 -10.512
  238    HE1  PHE  38           HE1      PHE  38  -3.579  -4.545 -12.485
  239    HE2  PHE  38           HE2      PHE  38  -1.934  -2.586  -9.035
  240    HZ   PHE  38           HZ       PHE  38  -3.421  -4.309 -10.020
  241    H    SER  39           H        SER  39   0.734   1.878 -11.321
  242    HA   SER  39           HA       SER  39   2.196   3.371 -13.189
  243   1HB   SER  39          2HB       SER  39   3.195   2.346 -10.542
  244   2HB   SER  39          1HB       SER  39   3.865   3.704 -11.431
  245    HG   SER  39           HG       SER  39   2.325   4.250  -9.741
  246    H    ARG  40           H        ARG  40   4.757   3.001 -13.402
  247    HA   ARG  40           HA       ARG  40   5.011   0.325 -14.583
  248   1HB   ARG  40          2HB       ARG  40   6.003   2.892 -15.240
  249   2HB   ARG  40          1HB       ARG  40   7.398   1.889 -14.842
  250   1HG   ARG  40          2HG       ARG  40   7.235   0.960 -16.885
  251   2HG   ARG  40          1HG       ARG  40   5.705   0.245 -16.376
  252   1HD   ARG  40          2HD       ARG  40   5.103   1.468 -18.292
  253   2HD   ARG  40          1HD       ARG  40   4.685   2.564 -16.975
  254    HE   ARG  40           HE       ARG  40   7.345   3.159 -17.685
  255   1HH1  ARG  40          1HH2      ARG  40   4.444   2.777 -19.470
  256   2HH1  ARG  40          2HH2      ARG  40   4.659   4.220 -20.403
  257   1HH2  ARG  40          1HH1      ARG  40   7.535   5.192 -18.722
  258   2HH2  ARG  40          2HH1      ARG  40   6.411   5.588 -19.980
  259    H    ALA  41           H        ALA  41   6.826  -1.071 -14.052
  260    HA   ALA  41           HA       ALA  41   7.354  -1.354 -11.284
  261   1HB   ALA  41          1HB       ALA  41   9.065  -2.958 -11.923
  262   2HB   ALA  41          2HB       ALA  41   9.158  -2.273 -13.545
  263   3HB   ALA  41          3HB       ALA  41   7.705  -3.132 -13.033
  264    H    GLY  42           H        GLY  42  10.083  -1.546 -10.900
  265   1HA   GLY  42          2HA       GLY  42  11.807  -0.126 -10.142
  266   2HA   GLY  42          1HA       GLY  42  11.709   0.561 -11.765
  267    H    LYS  43           H        LYS  43   8.893   0.616  -9.720
  268    HA   LYS  43           HA       LYS  43   8.979   3.555  -9.747
  269   1HB   LYS  43          2HB       LYS  43   6.862   2.636 -10.345
  270   2HB   LYS  43          1HB       LYS  43   6.877   1.535  -8.973
  271   1HG   LYS  43          2HG       LYS  43   5.440   3.218  -8.218
  272   2HG   LYS  43          1HG       LYS  43   6.975   3.741  -7.549
  273   1HD   LYS  43          2HD       LYS  43   7.324   5.261  -9.435
  274   2HD   LYS  43          1HD       LYS  43   5.834   4.693 -10.189
  275   1HE   LYS  43          2HE       LYS  43   4.583   6.082  -8.933
  276   2HE   LYS  43          1HE       LYS  43   5.356   5.525  -7.449
  277   1HZ   LYS  43          1HZ       LYS  43   7.269   7.021  -8.694
  278   2HZ   LYS  43          2HZ       LYS  43   6.311   7.513  -7.380
  279   3HZ   LYS  43          3HZ       LYS  43   5.841   7.895  -8.968
  280    H    ILE  44           H        ILE  44   9.539   4.768  -7.968
  281    HA   ILE  44           HA       ILE  44  10.391   3.350  -5.568
  282    HB   ILE  44           HB       ILE  44  10.628   6.080  -6.638
  283   1HG1  ILE  44          2HG1      ILE  44  12.476   4.485  -6.667
  284   2HG1  ILE  44          1HG1      ILE  44  12.874   5.819  -5.582
  285   1HG2  ILE  44          1HG2      ILE  44  11.356   6.732  -4.170
  286   2HG2  ILE  44          2HG2      ILE  44  10.133   5.538  -3.737
  287   3HG2  ILE  44          3HG2      ILE  44   9.687   6.946  -4.699
  288   1HD1  ILE  44          1HD1      ILE  44  12.639   3.013  -4.966
  289   2HD1  ILE  44          2HD1      ILE  44  11.459   3.926  -4.025
  290   3HD1  ILE  44          3HD1      ILE  44  13.171   4.331  -3.924
  291    H    CYS  45           H        CYS  45   8.880   2.601  -4.256
  292    HA   CYS  45           HA       CYS  45   6.364   4.121  -3.850
  293   1HB   CYS  45          2HB       CYS  45   5.692   2.021  -2.607
  294   2HB   CYS  45          1HB       CYS  45   6.038   1.789  -4.315
  295    H    ARG  46           H        ARG  46   9.401   3.569  -2.372
  296    HA   ARG  46           HA       ARG  46   8.548   5.126  -0.045
  297   1HB   ARG  46          2HB       ARG  46   8.278   2.410   0.197
  298   2HB   ARG  46          1HB       ARG  46   9.909   2.663   0.822
  299   1HG   ARG  46          2HG       ARG  46   9.181   3.920   2.611
  300   2HG   ARG  46          1HG       ARG  46   7.782   4.546   1.736
  301   1HD   ARG  46          2HD       ARG  46   6.487   2.676   2.188
  302   2HD   ARG  46          1HD       ARG  46   7.886   1.617   2.347
  303    HE   ARG  46           HE       ARG  46   7.802   2.079   4.645
  304   1HH1  ARG  46          1HH2      ARG  46   5.394   3.948   3.368
  305   2HH1  ARG  46          2HH2      ARG  46   5.534   5.255   4.496
  306   1HH2  ARG  46          1HH1      ARG  46   8.500   4.100   5.873
  307   2HH2  ARG  46          2HH1      ARG  46   7.293   5.341   5.915
  308    H    ILE  47           H        ILE  47  10.390   5.714   1.341
  309    HA   ILE  47           HA       ILE  47  12.926   5.759  -0.229
  310    HB   ILE  47           HB       ILE  47  12.113   7.977   0.298
  311   1HG1  ILE  47          2HG1      ILE  47  13.934   8.753   1.906
  312   2HG1  ILE  47          1HG1      ILE  47  14.368   7.055   2.098
  313   1HG2  ILE  47          1HG2      ILE  47  11.276   6.654   2.735
  314   2HG2  ILE  47          2HG2      ILE  47  10.762   8.212   2.088
  315   3HG2  ILE  47          3HG2      ILE  47  12.194   8.111   3.112
  316   1HD1  ILE  47          1HD1      ILE  47  14.885   8.868  -0.151
  317   2HD1  ILE  47          2HD1      ILE  47  14.206   7.317  -0.645
  318   3HD1  ILE  47          3HD1      ILE  47  15.699   7.368   0.294
  319    H    ALA  48           H        ALA  48  14.437   4.326   0.471
  320    HA   ALA  48           HA       ALA  48  14.188   2.947   2.980
  321   1HB   ALA  48          1HB       ALA  48  16.515   3.088   1.035
  322   2HB   ALA  48          2HB       ALA  48  15.235   1.880   1.032
  323   3HB   ALA  48          3HB       ALA  48  16.380   1.941   2.369
  324    H    ARG  49           H        ARG  49  16.122   2.915   4.565
  325    HA   ARG  49           HA       ARG  49  16.442   5.500   5.743
  326   1HB   ARG  49          2HB       ARG  49  17.918   2.952   6.212
  327   2HB   ARG  49          1HB       ARG  49  18.006   4.353   7.271
  328   1HG   ARG  49          2HG       ARG  49  15.574   2.654   6.652
  329   2HG   ARG  49          1HG       ARG  49  16.353   2.879   8.219
  330   1HD   ARG  49          2HD       ARG  49  15.781   5.317   8.093
  331   2HD   ARG  49          1HD       ARG  49  14.883   4.989   6.611
  332    HE   ARG  49           HE       ARG  49  13.744   3.227   8.367
  333   1HH1  ARG  49          1HH2      ARG  49  15.029   5.933   9.764
  334   2HH1  ARG  49          2HH2      ARG  49  13.529   6.623  10.287
  335   1HH2  ARG  49          1HH1      ARG  49  11.572   4.390   8.499
  336   2HH2  ARG  49          2HH1      ARG  49  11.574   5.750   9.571
  337    H    GLY  50           H        GLY  50  19.336   3.601   5.239
  338   1HA   GLY  50          2HA       GLY  50  20.462   5.592   3.419
  339   2HA   GLY  50          1HA       GLY  50  21.231   5.475   4.998
  340    H    ASP  51           H        ASP  51  21.345   4.329   1.871
  341    HA   ASP  51           HA       ASP  51  22.799   2.759   0.905
  342   1HB   ASP  51          2HB       ASP  51  23.752   2.977   3.582
  343   2HB   ASP  51          1HB       ASP  51  23.745   1.276   3.117
  344    H    TRP  52           H        TRP  52  21.419   1.376  -0.061
  345    HA   TRP  52           HA       TRP  52  21.118  -1.282   0.630
  346   1HB   TRP  52          2HB       TRP  52  18.523  -1.062   1.318
  347   2HB   TRP  52          1HB       TRP  52  19.811  -1.126   2.505
  348    HD1  TRP  52           HD1      TRP  52  18.709   0.328   4.289
  349    HE1  TRP  52           HE1      TRP  52  18.077   2.802   4.436
  350    HE3  TRP  52           HE3      TRP  52  19.258   1.737  -0.598
  351    HZ2  TRP  52           HZ2      TRP  52  17.851   5.088   2.719
  352    HZ3  TRP  52           HZ3      TRP  52  18.843   4.061  -1.289
  353    HH2  TRP  52           HH2      TRP  52  18.137   5.734   0.396
  354    H    ASN  53           H        ASN  53  18.469  -1.863  -0.234
  355    HA   ASN  53           HA       ASN  53  18.604  -0.813  -3.021
  356   1HB   ASN  53          2HB       ASN  53  18.280  -3.421  -1.962
  357   2HB   ASN  53          1HB       ASN  53  16.722  -2.973  -2.657
  358   1HD2  ASN  53          1HD2      ASN  53  19.945  -1.886  -3.789
  359   2HD2  ASN  53          2HD2      ASN  53  19.820  -2.604  -5.322
  360    H    ASP  54           H        ASP  54  17.134   0.808  -3.403
  361    HA   ASP  54           HA       ASP  54  15.042   1.517  -1.613
  362   1HB   ASP  54          2HB       ASP  54  16.011   2.414  -4.162
  363   2HB   ASP  54          1HB       ASP  54  14.251   2.340  -4.196
  364    H    ASP  55           H        ASP  55  12.788   1.129  -1.701
  365    HA   ASP  55           HA       ASP  55  12.075  -1.494  -2.760
  366   1HB   ASP  55          2HB       ASP  55  11.170   0.121  -0.670
  367   2HB   ASP  55          1HB       ASP  55   9.843   0.092  -1.825
  368    H    ARG  56           H        ARG  56  11.946  -1.476  -4.978
  369    HA   ARG  56           HA       ARG  56  10.465   0.685  -6.348
  370   1HB   ARG  56          2HB       ARG  56  11.858  -1.730  -7.471
  371   2HB   ARG  56          1HB       ARG  56  11.248  -0.368  -8.397
  372   1HG   ARG  56          2HG       ARG  56  13.166   0.163  -6.159
  373   2HG   ARG  56          1HG       ARG  56  13.800  -0.471  -7.678
  374   1HD   ARG  56          2HD       ARG  56  12.900   1.383  -8.919
  375   2HD   ARG  56          1HD       ARG  56  11.986   1.948  -7.520
  376    HE   ARG  56           HE       ARG  56  14.676   1.935  -6.719
  377   1HH1  ARG  56          1HH1      ARG  56  12.710   3.366  -9.171
  378   2HH1  ARG  56          2HH1      ARG  56  13.661   4.809  -9.271
  379   1HH2  ARG  56          1HH2      ARG  56  15.916   3.819  -6.832
  380   2HH2  ARG  56          2HH2      ARG  56  15.473   5.066  -7.950
  381    H    CYS  57           H        CYS  57   8.690   0.141  -7.816
  382    HA   CYS  57           HA       CYS  57   7.066  -2.107  -6.759
  383   1HB   CYS  57          2HB       CYS  57   6.112  -0.109  -8.799
  384   2HB   CYS  57          1HB       CYS  57   5.176  -0.990  -7.600
  385    H    THR  58           H        THR  58   5.882  -3.411  -8.437
  386    HA   THR  58           HA       THR  58   7.735  -4.061 -10.657
  387    HB   THR  58           HB       THR  58   6.686  -6.177 -10.736
  388    HG1  THR  58           HG1      THR  58   4.646  -6.421  -9.516
  389   1HG2  THR  58          1HG2      THR  58   6.574  -6.921  -8.384
  390   2HG2  THR  58          2HG2      THR  58   6.490  -5.239  -7.858
  391   3HG2  THR  58          3HG2      THR  58   7.948  -5.847  -8.643
  392    H    GLY  59           H        GLY  59   6.313  -4.914 -12.688
  393   1HA   GLY  59          1HA       GLY  59   4.933  -2.521 -13.648
  394   2HA   GLY  59          2HA       GLY  59   5.235  -3.986 -14.582
  395    H    GLN  60           H        GLN  60   3.887  -4.843 -11.633
  396    HA   GLN  60           HA       GLN  60   1.087  -4.479 -12.505
  397   1HB   GLN  60          2HB       GLN  60   2.245  -7.234 -11.984
  398   2HB   GLN  60          1HB       GLN  60   0.576  -6.862 -12.420
  399   1HG   GLN  60          2HG       GLN  60   1.340  -5.935 -14.574
  400   2HG   GLN  60          1HG       GLN  60   3.010  -6.307 -14.144
  401   1HE2  GLN  60          1HE2      GLN  60   3.431  -7.970 -15.681
  402   2HE2  GLN  60          2HE2      GLN  60   2.564  -9.429 -15.736
  403    H    SER  61           H        SER  61   2.761  -3.593 -10.212
  404    HA   SER  61           HA       SER  61   1.185  -4.906  -8.030
  405   1HB   SER  61          2HB       SER  61   3.446  -5.482  -7.598
  406   2HB   SER  61          1HB       SER  61   4.028  -3.888  -8.070
  407    HG   SER  61           HG       SER  61   3.881  -3.469  -6.015
  408    H    ALA  62           H        ALA  62  -0.163  -3.530  -6.958
  409    HA   ALA  62           HA       ALA  62   0.087  -0.621  -7.517
  410   1HB   ALA  62          1HB       ALA  62  -2.115  -2.407  -7.175
  411   2HB   ALA  62          2HB       ALA  62  -2.164  -0.681  -7.534
  412   3HB   ALA  62          3HB       ALA  62  -2.170  -1.234  -5.861
  413    H    ASP  63           H        ASP  63   0.535  -2.944  -4.967
  414    HA   ASP  63           HA       ASP  63   0.716  -0.740  -2.977
  415   1HB   ASP  63          2HB       ASP  63   1.019  -3.615  -2.269
  416   2HB   ASP  63          1HB       ASP  63   0.376  -2.297  -1.300
  417    H    CYS  64           H        CYS  64   2.558  -1.300  -1.277
  418    HA   CYS  64           HA       CYS  64   5.006  -2.129  -2.769
  419   1HB   CYS  64          2HB       CYS  64   5.003   0.289  -2.812
  420   2HB   CYS  64          1HB       CYS  64   4.625   0.362  -1.091
  421    HA   PRO  65           HA       PRO  65   5.521  -4.419   0.965
  422   1HB   PRO  65          2HB       PRO  65   7.796  -5.673   0.099
  423   2HB   PRO  65          1HB       PRO  65   6.176  -6.183  -0.374
  424   1HG   PRO  65          2HG       PRO  65   8.258  -4.776  -1.960
  425   2HG   PRO  65          1HG       PRO  65   6.901  -5.767  -2.521
  426   1HD   PRO  65          2HD       PRO  65   7.025  -2.932  -2.518
  427   2HD   PRO  65          1HD       PRO  65   5.586  -3.929  -2.824
  428    H    ARG  66           H        ARG  66   6.116  -2.581   2.318
  429    HA   ARG  66           HA       ARG  66   8.567  -1.167   2.157
  430   1HB   ARG  66          2HB       ARG  66   8.125  -0.447   4.436
  431   2HB   ARG  66          1HB       ARG  66   6.597  -0.494   3.553
  432   1HG   ARG  66          2HG       ARG  66   6.650  -3.027   4.498
  433   2HG   ARG  66          1HG       ARG  66   7.549  -2.213   5.780
  434   1HD   ARG  66          2HD       ARG  66   4.940  -1.098   4.755
  435   2HD   ARG  66          1HD       ARG  66   4.974  -2.332   6.015
  436    HE   ARG  66           HE       ARG  66   5.956  -0.733   7.507
  437   1HH1  ARG  66          1HH2      ARG  66   4.377   0.682   4.944
  438   2HH1  ARG  66          2HH2      ARG  66   5.165   2.220   5.060
  439   1HH2  ARG  66          1HH1      ARG  66   7.502   1.146   7.386
  440   2HH2  ARG  66          2HH1      ARG  66   6.933   2.482   6.442
  441    H    TYR  67           H        TYR  67  10.544  -2.106   2.225
  442    HA   TYR  67           HA       TYR  67  10.994  -4.635   3.570
  443   1HB   TYR  67          2HB       TYR  67  12.435  -2.899   1.735
  444   2HB   TYR  67          1HB       TYR  67  13.487  -3.600   2.962
  445    HD1  TYR  67           HD1      TYR  67  10.371  -5.166   1.711
  446    HD2  TYR  67           HD2      TYR  67  14.663  -5.159   1.549
  447    HE1  TYR  67           HE1      TYR  67  10.329  -7.331   0.502
  448    HE2  TYR  67           HE2      TYR  67  14.623  -7.325   0.342
  449    HH   TYR  67           HH       TYR  67  12.422  -8.485  -1.271
  450    H    HIS  68           HN       HIS  68  12.419  -1.377   3.996
  451    HA   HIS  68           HA       HIS  68  13.207  -2.154   6.750
  452   1HB   HIS  68          2HB       HIS  68  14.464  -0.634   4.788
  453   2HB   HIS  68          1HB       HIS  68  13.856   0.574   5.919
  454    HD1  HIS  68           HD1      HIS  68  16.921  -0.545   5.498
  455    HD2  HIS  68           HD2      HIS  68  14.339  -1.299   8.683
  456    HE1  HIS  68           HE1      HIS  68  18.379  -1.194   7.464
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1 -12.156 -13.877  -2.636
    2   2H    GLY   1          2HT       GLY   1 -11.590 -15.340  -1.985
    3   3H    GLY   1          3HT       GLY   1 -10.833 -14.665  -3.347
    4   1HA   GLY   1          1HA       GLY   1 -10.765 -13.708  -0.547
    5   2HA   GLY   1          2HA       GLY   1  -9.408 -14.162  -1.579
    6    H    LYS   2           H        LYS   2 -10.336 -11.536  -0.194
    7    HA   LYS   2           HA       LYS   2 -10.285  -9.242  -0.698
    8   1HB   LYS   2          2HB       LYS   2  -8.671 -10.255  -3.059
    9   2HB   LYS   2          1HB       LYS   2  -8.708  -8.591  -2.477
   10   1HG   LYS   2          2HG       LYS   2  -7.649  -9.178  -0.424
   11   2HG   LYS   2          1HG       LYS   2  -7.913 -10.900  -0.695
   12   1HD   LYS   2          2HD       LYS   2  -6.243  -9.232  -2.583
   13   2HD   LYS   2          1HD       LYS   2  -5.545 -10.009  -1.161
   14   1HE   LYS   2          2HE       LYS   2  -5.528 -12.020  -2.177
   15   2HE   LYS   2          1HE       LYS   2  -7.226 -11.865  -2.628
   16   1HZ   LYS   2          1HZ       LYS   2  -5.754 -12.028  -4.560
   17   2HZ   LYS   2          2HZ       LYS   2  -4.958 -10.607  -4.075
   18   3HZ   LYS   2          3HZ       LYS   2  -6.595 -10.555  -4.530
   19    H    GLU   3           H        GLU   3 -12.624  -9.332  -1.171
   20    HA   GLU   3           HA       GLU   3 -13.230  -9.241  -4.093
   21   1HB   GLU   3          2HB       GLU   3 -15.641  -9.462  -3.272
   22   2HB   GLU   3          1HB       GLU   3 -14.612 -10.874  -3.025
   23   1HG   GLU   3          2HG       GLU   3 -14.689 -10.681  -0.764
   24   2HG   GLU   3          1HG       GLU   3 -14.513  -8.927  -0.819
   25    H    CYS   4           H        CYS   4 -11.992  -7.003  -2.900
   26    HA   CYS   4           HA       CYS   4 -13.996  -4.970  -3.488
   27   1HB   CYS   4          2HB       CYS   4 -14.302  -5.499  -1.035
   28   2HB   CYS   4          1HB       CYS   4 -12.695  -4.852  -0.810
   29    H    ASP   5           H        ASP   5 -12.258  -4.964  -5.176
   30    HA   ASP   5           HA       ASP   5  -9.609  -4.347  -4.978
   31   1HB   ASP   5          2HB       ASP   5 -11.038  -4.362  -7.088
   32   2HB   ASP   5          1HB       ASP   5 -11.448  -2.689  -6.715
   33    H    CYS   6           H        CYS   6 -12.284  -2.164  -4.215
   34    HA   CYS   6           HA       CYS   6 -10.404  -0.495  -2.657
   35   1HB   CYS   6          2HB       CYS   6 -12.296   0.870  -4.564
   36   2HB   CYS   6          1HB       CYS   6 -10.910   1.551  -3.719
   37    H    SER   7           H        SER   7 -11.439   0.502  -0.899
   38    HA   SER   7           HA       SER   7 -14.268  -0.330  -0.491
   39   1HB   SER   7          2HB       SER   7 -11.971  -0.252   1.195
   40   2HB   SER   7          1HB       SER   7 -13.167   0.864   1.843
   41    HG   SER   7           HG       SER   7 -13.275  -1.492   2.423
   42    H    SER   8           H        SER   8 -12.414   2.396  -1.293
   43    HA   SER   8           HA       SER   8 -13.851   4.460   0.060
   44   1HB   SER   8          2HB       SER   8 -13.124   5.593  -2.352
   45   2HB   SER   8          1HB       SER   8 -12.101   5.508  -0.920
   46    HG   SER   8           HG       SER   8 -10.871   4.221  -2.016
   47    HA   PRO   9           HA       PRO   9 -17.645   3.918  -2.244
   48   1HB   PRO   9          2HB       PRO   9 -19.075   5.764  -0.793
   49   2HB   PRO   9          1HB       PRO   9 -18.763   4.110  -0.237
   50   1HG   PRO   9          2HG       PRO   9 -17.522   6.660   0.680
   51   2HG   PRO   9          1HG       PRO   9 -17.729   5.134   1.556
   52   1HD   PRO   9          2HD       PRO   9 -15.331   6.051   0.354
   53   2HD   PRO   9          1HD       PRO   9 -15.641   4.408   0.954
   54    H    GLU  10           H        GLU  10 -15.459   6.372  -2.401
   55    HA   GLU  10           HA       GLU  10 -17.204   7.970  -4.233
   56   1HB   GLU  10          2HB       GLU  10 -15.897   9.961  -3.621
   57   2HB   GLU  10          1HB       GLU  10 -16.635   9.246  -2.186
   58   1HG   GLU  10          2HG       GLU  10 -14.046   8.051  -2.701
   59   2HG   GLU  10          1HG       GLU  10 -13.906   9.805  -2.573
   60    H    ASN  11           H        ASN  11 -14.434   6.039  -3.919
   61    HA   ASN  11           HA       ASN  11 -12.737   7.260  -5.876
   62   1HB   ASN  11          2HB       ASN  11 -12.596   5.043  -4.178
   63   2HB   ASN  11          1HB       ASN  11 -12.529   4.358  -5.803
   64   1HD2  ASN  11          1HD2      ASN  11 -10.249   4.419  -3.990
   65   2HD2  ASN  11          2HD2      ASN  11  -9.067   5.413  -4.696
   66    HA   PRO  12           HA       PRO  12 -15.262   6.120  -9.379
   67   1HB   PRO  12          2HB       PRO  12 -13.642   7.310 -11.255
   68   2HB   PRO  12          1HB       PRO  12 -14.791   8.206 -10.245
   69   1HG   PRO  12          2HG       PRO  12 -11.820   8.067 -10.037
   70   2HG   PRO  12          1HG       PRO  12 -12.922   9.353  -9.518
   71   1HD   PRO  12          2HD       PRO  12 -11.713   7.422  -7.834
   72   2HD   PRO  12          1HD       PRO  12 -13.056   8.500  -7.394
   73    H    CYS  13           H        CYS  13 -12.084   5.123  -8.636
   74    HA   CYS  13           HA       CYS  13 -11.714   3.494 -11.067
   75   1HB   CYS  13          2HB       CYS  13 -10.107   3.990  -8.571
   76   2HB   CYS  13          1HB       CYS  13  -9.711   2.643  -9.634
   77    H    CYS  14           H        CYS  14 -13.554   3.144  -8.290
   78    HA   CYS  14           HA       CYS  14 -13.603   0.218  -8.746
   79   1HB   CYS  14          2HB       CYS  14 -12.793   1.579  -6.208
   80   2HB   CYS  14          1HB       CYS  14 -13.668   0.050  -6.118
   81    H    ASP  15           H        ASP  15 -15.639  -0.531  -8.755
   82    HA   ASP  15           HA       ASP  15 -17.920   1.116  -8.414
   83   1HB   ASP  15          2HB       ASP  15 -17.573  -1.303  -9.472
   84   2HB   ASP  15          1HB       ASP  15 -18.125  -1.796  -7.876
   85    H    ALA  16           H        ALA  16 -18.911   1.814  -6.580
   86    HA   ALA  16           HA       ALA  16 -17.869   0.961  -3.991
   87   1HB   ALA  16          1HB       ALA  16 -18.958   2.838  -3.101
   88   2HB   ALA  16          2HB       ALA  16 -20.187   2.836  -4.366
   89   3HB   ALA  16          3HB       ALA  16 -18.545   3.364  -4.733
   90    H    ALA  17           H        ALA  17 -19.839  -0.657  -5.873
   91    HA   ALA  17           HA       ALA  17 -21.737  -1.335  -3.658
   92   1HB   ALA  17          1HB       ALA  17 -23.059  -0.445  -5.440
   93   2HB   ALA  17          2HB       ALA  17 -23.221  -2.197  -5.559
   94   3HB   ALA  17          3HB       ALA  17 -22.144  -1.334  -6.657
   95    H    THR  18           H        THR  18 -20.100  -2.666  -6.538
   96    HA   THR  18           HA       THR  18 -20.316  -5.382  -5.441
   97    HB   THR  18           HB       THR  18 -19.602  -4.149  -8.022
   98    HG1  THR  18           HG1      THR  18 -20.789  -5.933  -8.731
   99   1HG2  THR  18          1HG2      THR  18 -17.495  -5.315  -7.577
  100   2HG2  THR  18          2HG2      THR  18 -18.408  -6.175  -8.818
  101   3HG2  THR  18          3HG2      THR  18 -18.379  -6.783  -7.162
  102    H    CYS  19           H        CYS  19 -18.390  -2.838  -4.724
  103    HA   CYS  19           HA       CYS  19 -16.209  -2.621  -3.863
  104   1HB   CYS  19          2HB       CYS  19 -17.428  -4.983  -2.767
  105   2HB   CYS  19          1HB       CYS  19 -15.697  -5.209  -2.911
  106    H    LYS  20           H        LYS  20 -15.339  -2.427  -6.050
  107    HA   LYS  20           HA       LYS  20 -13.108  -4.109  -6.526
  108   1HB   LYS  20          2HB       LYS  20 -15.640  -5.020  -7.770
  109   2HB   LYS  20          1HB       LYS  20 -14.231  -4.967  -8.830
  110   1HG   LYS  20          2HG       LYS  20 -13.181  -6.106  -6.560
  111   2HG   LYS  20          1HG       LYS  20 -14.813  -6.779  -6.589
  112   1HD   LYS  20          2HD       LYS  20 -14.493  -7.825  -8.652
  113   2HD   LYS  20          1HD       LYS  20 -13.188  -6.734  -9.116
  114   1HE   LYS  20          2HE       LYS  20 -11.693  -8.231  -8.355
  115   2HE   LYS  20          1HE       LYS  20 -12.364  -8.049  -6.734
  116   1HZ   LYS  20          1HZ       LYS  20 -13.843  -9.803  -7.071
  117   2HZ   LYS  20          2HZ       LYS  20 -12.387 -10.359  -7.744
  118   3HZ   LYS  20          3HZ       LYS  20 -13.632  -9.795  -8.754
  119    H    LEU  21           H        LEU  21 -12.742  -3.914  -9.243
  120    HA   LEU  21           HA       LEU  21 -12.511  -1.008  -9.573
  121   1HB   LEU  21          2HB       LEU  21 -11.562  -3.414 -11.093
  122   2HB   LEU  21          1HB       LEU  21 -11.608  -1.849 -11.904
  123    HG   LEU  21           HG       LEU  21 -10.337  -2.118  -9.190
  124   1HD1  LEU  21          1HD1      LEU  21  -8.544  -3.210 -10.005
  125   2HD1  LEU  21          2HD1      LEU  21  -8.445  -2.118 -11.387
  126   3HD1  LEU  21          3HD1      LEU  21  -9.490  -3.536 -11.456
  127   1HD2  LEU  21          1HD2      LEU  21 -10.726  -0.058 -11.154
  128   2HD2  LEU  21          2HD2      LEU  21  -8.998  -0.350 -10.953
  129   3HD2  LEU  21          3HD2      LEU  21  -9.991   0.069  -9.556
  130    H    ARG  22           H        ARG  22 -13.994   0.212 -10.647
  131    HA   ARG  22           HA       ARG  22 -16.286  -1.177 -11.860
  132   1HB   ARG  22          2HB       ARG  22 -16.885   0.675 -10.489
  133   2HB   ARG  22          1HB       ARG  22 -15.727   1.736 -11.280
  134   1HG   ARG  22          2HG       ARG  22 -17.429   0.673 -13.306
  135   2HG   ARG  22          1HG       ARG  22 -18.455   1.247 -11.991
  136   1HD   ARG  22          2HD       ARG  22 -17.554   3.442 -12.098
  137   2HD   ARG  22          1HD       ARG  22 -16.186   2.916 -13.079
  138    HE   ARG  22           HE       ARG  22 -18.951   2.771 -14.189
  139   1HH1  ARG  22          1HH1      ARG  22 -16.317   4.843 -13.935
  140   2HH1  ARG  22          2HH1      ARG  22 -16.130   5.098 -15.638
  141   1HH2  ARG  22          1HH2      ARG  22 -18.450   2.675 -16.524
  142   2HH2  ARG  22          2HH2      ARG  22 -17.339   3.870 -17.104
  143    HA   PRO  23           HA       PRO  23 -14.592   1.055 -15.706
  144   1HB   PRO  23          2HB       PRO  23 -12.101   2.196 -15.542
  145   2HB   PRO  23          1HB       PRO  23 -13.597   3.068 -15.168
  146   1HG   PRO  23          2HG       PRO  23 -11.517   2.036 -13.308
  147   2HG   PRO  23          1HG       PRO  23 -12.680   3.349 -13.071
  148   1HD   PRO  23          2HD       PRO  23 -12.878   0.702 -12.037
  149   2HD   PRO  23          1HD       PRO  23 -14.130   1.957 -11.993
  150    H    GLY  24           H        GLY  24 -12.318   0.778 -17.133
  151   1HA   GLY  24          2HA       GLY  24 -11.652  -2.082 -16.803
  152   2HA   GLY  24          1HA       GLY  24 -11.225  -1.074 -18.188
  153    H    ALA  25           H        ALA  25 -10.640   0.380 -15.166
  154    HA   ALA  25           HA       ALA  25  -7.865   0.716 -15.571
  155   1HB   ALA  25          1HB       ALA  25  -9.429   0.771 -12.974
  156   2HB   ALA  25          2HB       ALA  25  -9.230   2.129 -14.078
  157   3HB   ALA  25          3HB       ALA  25  -7.835   1.475 -13.224
  158    H    GLN  26           H        GLN  26  -6.300  -0.031 -13.663
  159    HA   GLN  26           HA       GLN  26  -6.663  -2.981 -13.338
  160   1HB   GLN  26          2HB       GLN  26  -4.547  -1.495 -14.575
  161   2HB   GLN  26          1HB       GLN  26  -3.910  -2.305 -13.144
  162   1HG   GLN  26          2HG       GLN  26  -3.702  -4.049 -14.627
  163   2HG   GLN  26          1HG       GLN  26  -5.379  -4.319 -14.151
  164   1HE2  GLN  26          1HE2      GLN  26  -7.063  -3.190 -15.596
  165   2HE2  GLN  26          2HE2      GLN  26  -6.710  -3.042 -17.249
  166    H    CYS  27           H        CYS  27  -6.885  -0.238 -11.656
  167    HA   CYS  27           HA       CYS  27  -6.574  -1.431  -9.100
  168   1HB   CYS  27          2HB       CYS  27  -4.525  -0.417  -8.295
  169   2HB   CYS  27          1HB       CYS  27  -4.151  -1.342  -9.751
  170    H    GLY  28           H        GLY  28  -7.660  -0.168  -7.643
  171   1HA   GLY  28          2HA       GLY  28  -8.245   2.636  -8.494
  172   2HA   GLY  28          1HA       GLY  28  -9.373   1.638  -7.584
  173    H    GLU  29           H        GLU  29  -6.264   1.063  -6.451
  174    HA   GLU  29           HA       GLU  29  -5.784   3.333  -4.799
  175   1HB   GLU  29          2HB       GLU  29  -6.699   2.610  -2.670
  176   2HB   GLU  29          1HB       GLU  29  -8.003   2.648  -3.858
  177   1HG   GLU  29          2HG       GLU  29  -8.433   0.520  -3.215
  178   2HG   GLU  29          1HG       GLU  29  -6.996   0.087  -4.142
  179    H    GLY  30           H        GLY  30  -3.663   3.091  -4.331
  180   1HA   GLY  30          2HA       GLY  30  -2.550   0.872  -2.954
  181   2HA   GLY  30          1HA       GLY  30  -2.223   0.660  -4.675
  182    H    LEU  31           H        LEU  31  -0.026   0.979  -3.119
  183    HA   LEU  31           HA       LEU  31   0.753   3.711  -2.680
  184   1HB   LEU  31          2HB       LEU  31   1.947   1.107  -2.408
  185   2HB   LEU  31          1HB       LEU  31   3.093   2.232  -3.125
  186    HG   LEU  31           HG       LEU  31   1.511   2.705  -0.579
  187   1HD1  LEU  31          1HD1      LEU  31   3.756   2.565   0.494
  188   2HD1  LEU  31          2HD1      LEU  31   4.442   2.092  -1.061
  189   3HD1  LEU  31          3HD1      LEU  31   3.274   1.044  -0.258
  190   1HD2  LEU  31          1HD2      LEU  31   3.708   4.472  -0.843
  191   2HD2  LEU  31          2HD2      LEU  31   1.995   4.879  -0.932
  192   3HD2  LEU  31          3HD2      LEU  31   2.883   4.480  -2.402
  193    H    CYS  32           H        CYS  32   1.263   1.442  -5.369
  194    HA   CYS  32           HA       CYS  32   2.227   3.771  -6.975
  195   1HB   CYS  32          2HB       CYS  32   3.123   1.742  -8.460
  196   2HB   CYS  32          1HB       CYS  32   4.062   2.388  -7.118
  197    H    CYS  33           H        CYS  33  -0.517   3.371  -6.708
  198    HA   CYS  33           HA       CYS  33  -1.303   2.012  -9.245
  199   1HB   CYS  33          2HB       CYS  33  -2.660   1.246  -7.429
  200   2HB   CYS  33          1HB       CYS  33  -2.903   2.880  -6.824
  201    H    GLU  34           H        GLU  34  -1.119   3.434 -10.912
  202    HA   GLU  34           HA       GLU  34  -1.336   6.284 -10.634
  203   1HB   GLU  34          2HB       GLU  34  -0.382   4.619 -12.570
  204   2HB   GLU  34          1HB       GLU  34  -1.896   5.164 -13.287
  205   1HG   GLU  34          2HG       GLU  34  -0.909   7.106 -13.833
  206   2HG   GLU  34          1HG       GLU  34  -0.702   7.447 -12.115
  207    H    GLN  35           H        GLN  35  -2.972   7.272 -12.511
  208    HA   GLN  35           HA       GLN  35  -5.536   7.252 -11.304
  209   1HB   GLN  35          2HB       GLN  35  -6.281   8.455 -13.333
  210   2HB   GLN  35          1HB       GLN  35  -4.746   9.089 -12.737
  211   1HG   GLN  35          2HG       GLN  35  -4.252   6.894 -14.542
  212   2HG   GLN  35          1HG       GLN  35  -5.290   8.087 -15.325
  213   1HE2  GLN  35          1HE2      GLN  35  -2.362   7.509 -15.811
  214   2HE2  GLN  35          2HE2      GLN  35  -1.571   8.991 -15.566
  215    H    CYS  36           H        CYS  36  -6.167   5.015 -11.110
  216    HA   CYS  36           HA       CYS  36  -7.352   3.113 -11.821
  217   1HB   CYS  36          2HB       CYS  36  -8.073   5.258 -13.699
  218   2HB   CYS  36          1HB       CYS  36  -8.259   3.641 -14.362
  219    H    LYS  37           H        LYS  37  -4.482   3.307 -12.401
  220    HA   LYS  37           HA       LYS  37  -4.357   1.169 -14.391
  221   1HB   LYS  37          2HB       LYS  37  -4.253   3.658 -15.470
  222   2HB   LYS  37          1HB       LYS  37  -2.544   3.401 -15.115
  223   1HG   LYS  37          2HG       LYS  37  -2.462   2.230 -17.048
  224   2HG   LYS  37          1HG       LYS  37  -3.349   0.969 -16.191
  225   1HD   LYS  37          2HD       LYS  37  -5.484   1.988 -16.896
  226   2HD   LYS  37          1HD       LYS  37  -4.599   3.246 -17.758
  227   1HE   LYS  37          2HE       LYS  37  -4.577   0.273 -18.344
  228   2HE   LYS  37          1HE       LYS  37  -5.229   1.555 -19.367
  229   1HZ   LYS  37          1HZ       LYS  37  -2.736   2.411 -19.018
  230   2HZ   LYS  37          2HZ       LYS  37  -3.212   1.423 -20.316
  231   3HZ   LYS  37          3HZ       LYS  37  -2.477   0.737 -18.946
  232    H    PHE  38           H        PHE  38  -2.620  -0.145 -13.943
  233    HA   PHE  38           HA       PHE  38  -1.132   0.094 -11.571
  234   1HB   PHE  38          2HB       PHE  38  -0.576  -1.355 -14.163
  235   2HB   PHE  38          1HB       PHE  38   0.551  -1.438 -12.810
  236    HD1  PHE  38           HD1      PHE  38  -1.544  -3.499 -14.244
  237    HD2  PHE  38           HD2      PHE  38  -1.316  -1.414 -10.494
  238    HE1  PHE  38           HE1      PHE  38  -2.942  -5.251 -13.186
  239    HE2  PHE  38           HE2      PHE  38  -2.717  -3.167  -9.438
  240    HZ   PHE  38           HZ       PHE  38  -3.528  -5.084 -10.782
  241    H    SER  39           H        SER  39   0.537   1.431 -11.001
  242    HA   SER  39           HA       SER  39   1.495   3.505 -12.660
  243   1HB   SER  39          2HB       SER  39   2.644   2.203 -10.222
  244   2HB   SER  39          1HB       SER  39   3.463   3.536 -11.017
  245    HG   SER  39           HG       SER  39   0.735   3.786 -10.469
  246    H    ARG  40           H        ARG  40   4.173   3.545 -12.861
  247    HA   ARG  40           HA       ARG  40   4.712   1.323 -14.720
  248   1HB   ARG  40          2HB       ARG  40   6.646   3.536 -14.444
  249   2HB   ARG  40          1HB       ARG  40   6.068   2.735 -15.899
  250   1HG   ARG  40          2HG       ARG  40   3.774   3.929 -15.089
  251   2HG   ARG  40          1HG       ARG  40   4.951   5.083 -14.463
  252   1HD   ARG  40          2HD       ARG  40   5.898   4.475 -17.017
  253   2HD   ARG  40          1HD       ARG  40   4.149   4.580 -17.222
  254    HE   ARG  40           HE       ARG  40   5.237   6.796 -15.675
  255   1HH1  ARG  40          1HH2      ARG  40   3.013   6.486 -17.902
  256   2HH1  ARG  40          2HH2      ARG  40   3.645   7.593 -19.076
  257   1HH2  ARG  40          1HH1      ARG  40   6.763   7.813 -17.577
  258   2HH2  ARG  40          2HH1      ARG  40   5.767   8.344 -18.891
  259    H    ALA  41           H        ALA  41   6.316  -0.167 -14.322
  260    HA   ALA  41           HA       ALA  41   7.234  -0.717 -11.751
  261   1HB   ALA  41          1HB       ALA  41   7.838  -2.506 -13.017
  262   2HB   ALA  41          2HB       ALA  41   9.329  -1.611 -13.317
  263   3HB   ALA  41          3HB       ALA  41   8.000  -1.525 -14.473
  264    H    GLY  42           H        GLY  42   9.788  -0.713 -11.264
  265   1HA   GLY  42          2HA       GLY  42  11.596   0.662 -10.668
  266   2HA   GLY  42          1HA       GLY  42  11.314   1.513 -12.184
  267    H    LYS  43           H        LYS  43   8.780   1.126  -9.808
  268    HA   LYS  43           HA       LYS  43   8.782   4.071  -9.454
  269   1HB   LYS  43          2HB       LYS  43   6.652   3.541 -10.163
  270   2HB   LYS  43          1HB       LYS  43   6.692   1.945  -9.424
  271   1HG   LYS  43          2HG       LYS  43   5.111   3.403  -8.236
  272   2HG   LYS  43          1HG       LYS  43   6.465   2.992  -7.186
  273   1HD   LYS  43          2HD       LYS  43   7.380   5.127  -7.306
  274   2HD   LYS  43          1HD       LYS  43   6.620   5.475  -8.860
  275   1HE   LYS  43          2HE       LYS  43   4.412   5.121  -7.331
  276   2HE   LYS  43          1HE       LYS  43   5.524   5.749  -6.116
  277   1HZ   LYS  43          1HZ       LYS  43   4.217   7.125  -8.213
  278   2HZ   LYS  43          2HZ       LYS  43   5.899   7.286  -8.380
  279   3HZ   LYS  43          3HZ       LYS  43   5.138   7.755  -6.935
  280    H    ILE  44           H        ILE  44   9.461   4.903  -7.529
  281    HA   ILE  44           HA       ILE  44  10.178   3.095  -5.358
  282    HB   ILE  44           HB       ILE  44  11.596   5.000  -5.745
  283   1HG1  ILE  44          2HG1      ILE  44  11.312   6.241  -3.515
  284   2HG1  ILE  44          1HG1      ILE  44   9.902   5.216  -3.246
  285   1HG2  ILE  44          1HG2      ILE  44   8.982   6.382  -5.874
  286   2HG2  ILE  44          2HG2      ILE  44  10.474   6.702  -6.760
  287   3HG2  ILE  44          3HG2      ILE  44  10.286   7.288  -5.106
  288   1HD1  ILE  44          1HD1      ILE  44  11.199   3.466  -2.674
  289   2HD1  ILE  44          2HD1      ILE  44  12.581   4.561  -2.708
  290   3HD1  ILE  44          3HD1      ILE  44  12.155   3.633  -4.145
  291    H    CYS  45           H        CYS  45   8.268   2.191  -4.619
  292    HA   CYS  45           HA       CYS  45   5.970   3.819  -3.837
  293   1HB   CYS  45          2HB       CYS  45   5.188   1.602  -2.852
  294   2HB   CYS  45          1HB       CYS  45   5.456   1.620  -4.593
  295    H    ARG  46           H        ARG  46   8.931   2.955  -2.355
  296    HA   ARG  46           HA       ARG  46   8.040   4.207   0.148
  297   1HB   ARG  46          2HB       ARG  46   8.051   1.352  -0.127
  298   2HB   ARG  46          1HB       ARG  46   9.324   1.816   1.002
  299   1HG   ARG  46          2HG       ARG  46   6.621   3.097   1.246
  300   2HG   ARG  46          1HG       ARG  46   6.858   1.465   1.873
  301   1HD   ARG  46          2HD       ARG  46   8.466   2.161   3.437
  302   2HD   ARG  46          1HD       ARG  46   8.803   3.656   2.565
  303    HE   ARG  46           HE       ARG  46   6.081   3.703   3.411
  304   1HH1  ARG  46          1HH2      ARG  46   7.183   2.624   5.926
  305   2HH1  ARG  46          2HH2      ARG  46   7.703   4.047   6.765
  306   1HH2  ARG  46          1HH1      ARG  46   7.663   6.053   3.938
  307   2HH2  ARG  46          2HH1      ARG  46   7.975   5.987   5.640
  308    H    ILE  47           H        ILE  47   9.701   5.489   0.775
  309    HA   ILE  47           HA       ILE  47  12.375   5.087  -0.365
  310    HB   ILE  47           HB       ILE  47  11.579   7.366  -0.171
  311   1HG1  ILE  47          2HG1      ILE  47  13.371   8.344   1.259
  312   2HG1  ILE  47          1HG1      ILE  47  13.673   6.745   1.937
  313   1HG2  ILE  47          1HG2      ILE  47  11.540   7.842   2.612
  314   2HG2  ILE  47          2HG2      ILE  47  10.586   6.381   2.358
  315   3HG2  ILE  47          3HG2      ILE  47  10.164   7.868   1.509
  316   1HD1  ILE  47          1HD1      ILE  47  15.044   7.678  -0.174
  317   2HD1  ILE  47          2HD1      ILE  47  13.674   6.973  -1.032
  318   3HD1  ILE  47          3HD1      ILE  47  14.669   5.965   0.019
  319    H    ALA  48           H        ALA  48  14.082   4.145   0.689
  320    HA   ALA  48           HA       ALA  48  13.574   2.931   3.295
  321   1HB   ALA  48          1HB       ALA  48  15.974   2.046   2.885
  322   2HB   ALA  48          2HB       ALA  48  15.799   2.744   1.273
  323   3HB   ALA  48          3HB       ALA  48  14.698   1.480   1.811
  324    H    ARG  49           H        ARG  49  15.863   3.006   4.699
  325    HA   ARG  49           HA       ARG  49  15.927   5.580   5.887
  326   1HB   ARG  49          2HB       ARG  49  18.055   3.482   6.012
  327   2HB   ARG  49          1HB       ARG  49  17.828   4.790   7.162
  328   1HG   ARG  49          2HG       ARG  49  16.022   2.418   6.650
  329   2HG   ARG  49          1HG       ARG  49  16.797   2.887   8.163
  330   1HD   ARG  49          2HD       ARG  49  15.373   5.141   7.624
  331   2HD   ARG  49          1HD       ARG  49  14.320   3.921   6.909
  332    HE   ARG  49           HE       ARG  49  14.326   4.401   9.615
  333   1HH1  ARG  49          1HH1      ARG  49  12.935   2.034   8.336
  334   2HH1  ARG  49          2HH1      ARG  49  13.640   0.710   9.200
  335   1HH2  ARG  49          1HH2      ARG  49  16.283   2.583  10.442
  336   2HH2  ARG  49          2HH2      ARG  49  15.537   1.020  10.393
  337    H    GLY  50           H        GLY  50  19.025   4.361   4.785
  338   1HA   GLY  50          2HA       GLY  50  19.371   6.876   3.258
  339   2HA   GLY  50          1HA       GLY  50  20.633   6.256   4.304
  340    H    ASP  51           H        ASP  51  21.124   3.744   3.659
  341    HA   ASP  51           HA       ASP  51  21.398   3.712   0.702
  342   1HB   ASP  51          2HB       ASP  51  23.403   3.600   2.757
  343   2HB   ASP  51          1HB       ASP  51  23.441   2.127   1.789
  344    H    TRP  52           H        TRP  52  20.607   1.928  -0.295
  345    HA   TRP  52           HA       TRP  52  20.742  -0.755   0.493
  346   1HB   TRP  52          2HB       TRP  52  18.104  -0.748   1.222
  347   2HB   TRP  52          1HB       TRP  52  19.430  -0.742   2.376
  348    HD1  TRP  52           HD1      TRP  52  18.578   0.782   4.214
  349    HE1  TRP  52           HE1      TRP  52  17.792   3.215   4.324
  350    HE3  TRP  52           HE3      TRP  52  18.284   1.909  -0.765
  351    HZ2  TRP  52           HZ2      TRP  52  17.123   5.362   2.553
  352    HZ3  TRP  52           HZ3      TRP  52  17.581   4.150  -1.506
  353    HH2  TRP  52           HH2      TRP  52  17.003   5.878   0.173
  354    H    ASN  53           H        ASN  53  18.177  -1.698  -0.252
  355    HA   ASN  53           HA       ASN  53  18.089  -0.802  -3.085
  356   1HB   ASN  53          2HB       ASN  53  17.878  -3.337  -1.813
  357   2HB   ASN  53          1HB       ASN  53  16.293  -2.978  -2.497
  358   1HD2  ASN  53          1HD2      ASN  53  16.902  -4.811  -4.055
  359   2HD2  ASN  53          2HD2      ASN  53  17.835  -4.415  -5.417
  360    H    ASP  54           H        ASP  54  16.684   0.928  -3.262
  361    HA   ASP  54           HA       ASP  54  14.594   1.530  -1.450
  362   1HB   ASP  54          2HB       ASP  54  15.396   2.425  -4.132
  363   2HB   ASP  54          1HB       ASP  54  13.692   2.654  -3.763
  364    H    ASP  55           H        ASP  55  12.261   1.339  -1.762
  365    HA   ASP  55           HA       ASP  55  11.522  -1.295  -2.781
  366   1HB   ASP  55          2HB       ASP  55  10.470   0.592  -0.923
  367   2HB   ASP  55          1HB       ASP  55   9.229   0.255  -2.122
  368    H    ARG  56           H        ARG  56  11.302  -1.514  -4.952
  369    HA   ARG  56           HA       ARG  56  10.150   0.732  -6.537
  370   1HB   ARG  56          2HB       ARG  56  12.324  -0.995  -6.959
  371   2HB   ARG  56          1HB       ARG  56  11.073  -1.546  -8.073
  372   1HG   ARG  56          2HG       ARG  56  12.504   0.218  -9.076
  373   2HG   ARG  56          1HG       ARG  56  10.818   0.713  -8.953
  374   1HD   ARG  56          2HD       ARG  56  12.702   2.361  -8.164
  375   2HD   ARG  56          1HD       ARG  56  11.236   2.191  -7.199
  376    HE   ARG  56           HE       ARG  56  12.501   0.860  -5.601
  377   1HH1  ARG  56          1HH2      ARG  56  14.233   3.311  -6.724
  378   2HH1  ARG  56          2HH2      ARG  56  15.797   2.572  -6.653
  379   1HH2  ARG  56          1HH1      ARG  56  14.552  -0.630  -6.174
  380   2HH2  ARG  56          2HH1      ARG  56  15.977   0.339  -6.340
  381    H    CYS  57           H        CYS  57   8.385   0.292  -7.982
  382    HA   CYS  57           HA       CYS  57   6.774  -2.082  -7.185
  383   1HB   CYS  57          2HB       CYS  57   6.090   0.631  -8.285
  384   2HB   CYS  57          1HB       CYS  57   5.006  -0.719  -8.612
  385    H    THR  58           H        THR  58   5.648  -3.201  -8.977
  386    HA   THR  58           HA       THR  58   7.447  -3.471 -11.307
  387    HB   THR  58           HB       THR  58   6.595  -5.603 -11.544
  388    HG1  THR  58           HG1      THR  58   4.434  -6.092 -11.106
  389   1HG2  THR  58          1HG2      THR  58   5.407  -5.555  -8.847
  390   2HG2  THR  58          2HG2      THR  58   7.030  -4.872  -8.935
  391   3HG2  THR  58          3HG2      THR  58   6.739  -6.527  -9.472
  392    H    GLY  59           H        GLY  59   6.242  -3.808 -13.486
  393   1HA   GLY  59          2HA       GLY  59   4.731  -1.405 -14.037
  394   2HA   GLY  59          1HA       GLY  59   5.050  -2.703 -15.188
  395    H    GLN  60           H        GLN  60   3.836  -4.507 -12.908
  396    HA   GLN  60           HA       GLN  60   0.989  -3.937 -13.627
  397   1HB   GLN  60          2HB       GLN  60   2.101  -6.685 -13.040
  398   2HB   GLN  60          1HB       GLN  60   0.569  -6.272 -13.812
  399   1HG   GLN  60          2HG       GLN  60   1.954  -5.174 -15.658
  400   2HG   GLN  60          1HG       GLN  60   3.355  -5.975 -14.948
  401   1HE2  GLN  60          1HE2      GLN  60   3.718  -8.118 -15.591
  402   2HE2  GLN  60          2HE2      GLN  60   2.586  -9.082 -16.410
  403    H    SER  61           H        SER  61   2.835  -3.363 -11.182
  404    HA   SER  61           HA       SER  61   1.080  -4.658  -9.136
  405   1HB   SER  61          2HB       SER  61   3.649  -4.999  -9.104
  406   2HB   SER  61          1HB       SER  61   3.725  -3.329  -8.553
  407    HG   SER  61           HG       SER  61   1.941  -4.261  -7.041
  408    H    ALA  62           H        ALA  62  -0.138  -3.337  -7.826
  409    HA   ALA  62           HA       ALA  62   0.197  -0.391  -8.230
  410   1HB   ALA  62          1HB       ALA  62  -1.978  -0.681  -8.900
  411   2HB   ALA  62          2HB       ALA  62  -2.278  -0.596  -7.164
  412   3HB   ALA  62          3HB       ALA  62  -2.175  -2.164  -7.966
  413    H    ASP  63           H        ASP  63   0.655  -2.871  -6.007
  414    HA   ASP  63           HA       ASP  63   0.348  -1.001  -3.702
  415   1HB   ASP  63          2HB       ASP  63   0.750  -3.939  -3.393
  416   2HB   ASP  63          1HB       ASP  63  -0.063  -2.816  -2.309
  417    H    CYS  64           H        CYS  64   2.042  -2.106  -1.878
  418    HA   CYS  64           HA       CYS  64   4.652  -2.536  -3.180
  419   1HB   CYS  64          2HB       CYS  64   4.434  -0.081  -3.029
  420   2HB   CYS  64          1HB       CYS  64   4.181  -0.214  -1.291
  421    HA   PRO  65           HA       PRO  65   4.796  -5.078   0.420
  422   1HB   PRO  65          2HB       PRO  65   7.051  -6.401  -0.385
  423   2HB   PRO  65          1HB       PRO  65   5.440  -6.783  -0.993
  424   1HG   PRO  65          2HG       PRO  65   7.700  -5.423  -2.353
  425   2HG   PRO  65          1HG       PRO  65   6.309  -6.261  -3.058
  426   1HD   PRO  65          2HD       PRO  65   6.655  -3.444  -2.800
  427   2HD   PRO  65          1HD       PRO  65   5.190  -4.293  -3.336
  428    H    ARG  66           H        ARG  66   5.729  -4.507   2.373
  429    HA   ARG  66           HA       ARG  66   7.824  -2.545   2.529
  430   1HB   ARG  66          2HB       ARG  66   6.906  -4.434   4.713
  431   2HB   ARG  66          1HB       ARG  66   7.711  -2.879   4.926
  432   1HG   ARG  66          2HG       ARG  66   5.796  -1.722   3.920
  433   2HG   ARG  66          1HG       ARG  66   4.994  -3.268   3.635
  434   1HD   ARG  66          2HD       ARG  66   4.278  -3.406   5.775
  435   2HD   ARG  66          1HD       ARG  66   5.856  -2.945   6.414
  436    HE   ARG  66           HE       ARG  66   4.931  -0.811   6.738
  437   1HH1  ARG  66          1HH2      ARG  66   2.190  -1.990   5.975
  438   2HH1  ARG  66          2HH2      ARG  66   1.688  -0.864   4.757
  439   1HH2  ARG  66          1HH1      ARG  66   4.855   0.480   4.319
  440   2HH2  ARG  66          2HH1      ARG  66   3.197   0.534   3.820
  441    H    TYR  67           H        TYR  67  10.037  -2.846   3.075
  442    HA   TYR  67           HA       TYR  67  11.213  -5.315   3.815
  443   1HB   TYR  67          2HB       TYR  67  10.481  -6.101   1.628
  444   2HB   TYR  67          1HB       TYR  67  11.290  -4.740   0.868
  445    HD1  TYR  67           HD1      TYR  67  12.626  -6.606   3.768
  446    HD2  TYR  67           HD2      TYR  67  12.862  -5.981  -0.475
  447    HE1  TYR  67           HE1      TYR  67  14.741  -7.898   3.696
  448    HE2  TYR  67           HE2      TYR  67  14.978  -7.274  -0.548
  449    HH   TYR  67           HH       TYR  67  16.903  -7.768   1.546
  450    H    HIS  68           HN       HIS  68  11.501  -2.466   4.330
  451    HA   HIS  68           HA       HIS  68  14.299  -2.038   3.355
  452   1HB   HIS  68          2HB       HIS  68  13.886   0.376   3.963
  453   2HB   HIS  68          1HB       HIS  68  12.870  -0.219   2.651
  454    HD1  HIS  68           HD1      HIS  68  10.383  -1.013   3.406
  455    HD2  HIS  68           HD2      HIS  68  12.462   1.348   6.143
  456    HE1  HIS  68           HE1      HIS  68   8.665  -0.131   5.044
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  -6.716 -14.036  -5.872
    2   2H    GLY   1          2HT       GLY   1  -7.920 -13.215  -6.747
    3   3H    GLY   1          3HT       GLY   1  -8.157 -13.576  -5.103
    4   1HA   GLY   1          1HA       GLY   1  -5.798 -12.152  -5.200
    5   2HA   GLY   1          2HA       GLY   1  -6.916 -11.315  -6.276
    6    H    LYS   2           H        LYS   2  -8.195  -9.849  -5.276
    7    HA   LYS   2           HA       LYS   2  -9.112 -10.416  -2.498
    8   1HB   LYS   2          2HB       LYS   2  -7.755  -7.893  -3.477
    9   2HB   LYS   2          1HB       LYS   2  -8.716  -7.949  -2.000
   10   1HG   LYS   2          2HG       LYS   2  -7.237  -9.469  -0.955
   11   2HG   LYS   2          1HG       LYS   2  -6.473  -9.907  -2.483
   12   1HD   LYS   2          2HD       LYS   2  -6.344  -7.035  -1.756
   13   2HD   LYS   2          1HD       LYS   2  -5.392  -8.126  -0.750
   14   1HE   LYS   2          2HE       LYS   2  -3.835  -7.859  -2.400
   15   2HE   LYS   2          1HE       LYS   2  -4.789  -9.100  -3.211
   16   1HZ   LYS   2          1HZ       LYS   2  -4.536  -7.333  -4.731
   17   2HZ   LYS   2          2HZ       LYS   2  -4.952  -6.163  -3.571
   18   3HZ   LYS   2          3HZ       LYS   2  -6.131  -7.233  -4.164
   19    H    GLU   3           H        GLU   3 -11.262  -9.947  -2.239
   20    HA   GLU   3           HA       GLU   3 -12.695  -8.819  -4.561
   21   1HB   GLU   3          2HB       GLU   3 -14.712  -9.573  -3.449
   22   2HB   GLU   3          1HB       GLU   3 -13.518 -10.869  -3.354
   23   1HG   GLU   3          2HG       GLU   3 -12.889  -9.609  -1.082
   24   2HG   GLU   3          1HG       GLU   3 -14.576  -9.106  -1.192
   25    H    CYS   4           H        CYS   4 -11.405  -6.725  -3.863
   26    HA   CYS   4           HA       CYS   4 -13.273  -4.799  -2.937
   27   1HB   CYS   4          2HB       CYS   4 -11.565  -6.043  -0.865
   28   2HB   CYS   4          1HB       CYS   4 -11.647  -4.295  -0.836
   29    H    ASP   5           H        ASP   5 -11.635  -4.840  -5.110
   30    HA   ASP   5           HA       ASP   5  -9.075  -3.885  -5.147
   31   1HB   ASP   5          2HB       ASP   5 -10.744  -4.076  -7.108
   32   2HB   ASP   5          1HB       ASP   5 -11.195  -2.416  -6.718
   33    H    CYS   6           H        CYS   6 -11.909  -2.109  -4.082
   34    HA   CYS   6           HA       CYS   6 -10.123  -0.111  -2.811
   35   1HB   CYS   6          2HB       CYS   6 -12.528   0.735  -4.450
   36   2HB   CYS   6          1HB       CYS   6 -11.326   1.781  -3.691
   37    H    SER   7           H        SER   7 -11.126   0.897  -0.965
   38    HA   SER   7           HA       SER   7 -13.632  -0.493  -0.099
   39   1HB   SER   7          2HB       SER   7 -12.842  -0.375   2.160
   40   2HB   SER   7          1HB       SER   7 -11.495  -0.968   1.192
   41    HG   SER   7           HG       SER   7 -11.601   1.191   2.725
   42    H    SER   8           H        SER   8 -13.375   2.085  -1.622
   43    HA   SER   8           HA       SER   8 -14.604   3.881   0.426
   44   1HB   SER   8          2HB       SER   8 -12.493   4.358  -1.423
   45   2HB   SER   8          1HB       SER   8 -13.870   5.337  -1.911
   46    HG   SER   8           HG       SER   8 -13.088   5.179   0.790
   47    HA   PRO   9           HA       PRO   9 -18.225   3.354  -2.099
   48   1HB   PRO   9          2HB       PRO   9 -19.829   5.037  -0.633
   49   2HB   PRO   9          1HB       PRO   9 -19.433   3.382  -0.136
   50   1HG   PRO   9          2HG       PRO   9 -18.401   5.962   0.942
   51   2HG   PRO   9          1HG       PRO   9 -18.539   4.388   1.740
   52   1HD   PRO   9          2HD       PRO   9 -16.164   5.517   0.679
   53   2HD   PRO   9          1HD       PRO   9 -16.382   3.833   1.202
   54    H    GLU  10           H        GLU  10 -16.184   5.908  -2.139
   55    HA   GLU  10           HA       GLU  10 -17.960   7.456  -3.981
   56   1HB   GLU  10          2HB       GLU  10 -17.295   8.467  -1.598
   57   2HB   GLU  10          1HB       GLU  10 -15.816   8.886  -2.463
   58   1HG   GLU  10          2HG       GLU  10 -17.019  10.157  -4.096
   59   2HG   GLU  10          1HG       GLU  10 -18.570   9.527  -3.541
   60    H    ASN  11           H        ASN  11 -15.699   5.367  -4.221
   61    HA   ASN  11           HA       ASN  11 -13.612   6.890  -5.590
   62   1HB   ASN  11          2HB       ASN  11 -13.531   4.569  -4.204
   63   2HB   ASN  11          1HB       ASN  11 -13.697   3.938  -5.843
   64   1HD2  ASN  11          1HD2      ASN  11 -11.389   3.158  -5.495
   65   2HD2  ASN  11          2HD2      ASN  11 -10.122   4.252  -5.769
   66    HA   PRO  12           HA       PRO  12 -15.818   6.471  -9.449
   67   1HB   PRO  12          2HB       PRO  12 -13.957   7.813 -10.960
   68   2HB   PRO  12          1HB       PRO  12 -15.140   8.626  -9.922
   69   1HG   PRO  12          2HG       PRO  12 -12.216   8.236  -9.485
   70   2HG   PRO  12          1HG       PRO  12 -13.286   9.503  -8.862
   71   1HD   PRO  12          2HD       PRO  12 -12.363   7.247  -7.416
   72   2HD   PRO  12          1HD       PRO  12 -13.668   8.346  -6.922
   73    H    CYS  13           H        CYS  13 -13.127   4.841  -8.451
   74    HA   CYS  13           HA       CYS  13 -12.823   3.459 -11.087
   75   1HB   CYS  13          2HB       CYS  13 -10.839   4.792  -9.574
   76   2HB   CYS  13          1HB       CYS  13 -10.536   3.064  -9.410
   77    H    CYS  14           H        CYS  14 -14.489   2.926  -8.508
   78    HA   CYS  14           HA       CYS  14 -13.948   0.061  -8.575
   79   1HB   CYS  14          2HB       CYS  14 -13.155   1.740  -6.234
   80   2HB   CYS  14          1HB       CYS  14 -13.819   0.136  -5.927
   81    H    ASP  15           H        ASP  15 -15.766  -1.104  -8.096
   82    HA   ASP  15           HA       ASP  15 -18.254   0.324  -7.643
   83   1HB   ASP  15          2HB       ASP  15 -17.810  -1.883  -8.974
   84   2HB   ASP  15          1HB       ASP  15 -17.963  -2.635  -7.392
   85    H    ALA  16           H        ALA  16 -19.421   0.433  -5.717
   86    HA   ALA  16           HA       ALA  16 -17.921  -0.183  -3.282
   87   1HB   ALA  16          1HB       ALA  16 -20.353   1.413  -3.964
   88   2HB   ALA  16          2HB       ALA  16 -18.930   1.883  -3.033
   89   3HB   ALA  16          3HB       ALA  16 -20.163   0.853  -2.302
   90    H    ALA  17           H        ALA  17 -20.595  -1.510  -5.079
   91    HA   ALA  17           HA       ALA  17 -21.612  -3.070  -2.816
   92   1HB   ALA  17          1HB       ALA  17 -22.474  -2.438  -5.494
   93   2HB   ALA  17          2HB       ALA  17 -23.414  -3.103  -4.158
   94   3HB   ALA  17          3HB       ALA  17 -22.538  -4.183  -5.244
   95    H    THR  18           H        THR  18 -19.728  -3.761  -5.772
   96    HA   THR  18           HA       THR  18 -19.355  -6.555  -4.898
   97    HB   THR  18           HB       THR  18 -18.062  -6.755  -7.026
   98    HG1  THR  18           HG1      THR  18 -18.670  -4.617  -8.290
   99   1HG2  THR  18          1HG2      THR  18 -20.696  -6.787  -6.727
  100   2HG2  THR  18          2HG2      THR  18 -19.972  -6.867  -8.333
  101   3HG2  THR  18          3HG2      THR  18 -20.602  -5.336  -7.725
  102    H    CYS  19           H        CYS  19 -17.697  -3.542  -4.619
  103    HA   CYS  19           HA       CYS  19 -15.638  -3.040  -3.591
  104   1HB   CYS  19          2HB       CYS  19 -16.475  -5.398  -2.344
  105   2HB   CYS  19          1HB       CYS  19 -14.845  -5.727  -2.876
  106    H    LYS  20           H        LYS  20 -15.101  -2.842  -5.995
  107    HA   LYS  20           HA       LYS  20 -12.569  -4.122  -6.506
  108   1HB   LYS  20          2HB       LYS  20 -15.020  -5.348  -7.616
  109   2HB   LYS  20          1HB       LYS  20 -13.733  -5.070  -8.788
  110   1HG   LYS  20          2HG       LYS  20 -12.483  -6.096  -6.468
  111   2HG   LYS  20          1HG       LYS  20 -13.903  -7.102  -6.755
  112   1HD   LYS  20          2HD       LYS  20 -13.112  -7.888  -8.768
  113   2HD   LYS  20          1HD       LYS  20 -12.243  -6.396  -9.128
  114   1HE   LYS  20          2HE       LYS  20 -10.560  -6.975  -7.401
  115   2HE   LYS  20          1HE       LYS  20 -11.414  -8.486  -7.092
  116   1HZ   LYS  20          1HZ       LYS  20 -10.499  -9.419  -8.872
  117   2HZ   LYS  20          2HZ       LYS  20  -9.456  -8.079  -8.959
  118   3HZ   LYS  20          3HZ       LYS  20 -10.890  -8.105  -9.870
  119    H    LEU  21           H        LEU  21 -12.529  -3.807  -9.327
  120    HA   LEU  21           HA       LEU  21 -12.577  -0.870  -9.454
  121   1HB   LEU  21          2HB       LEU  21 -11.526  -3.071 -11.201
  122   2HB   LEU  21          1HB       LEU  21 -11.770  -1.466 -11.895
  123    HG   LEU  21           HG       LEU  21 -10.295  -1.798  -9.296
  124   1HD1  LEU  21          1HD1      LEU  21  -9.106  -3.255 -10.815
  125   2HD1  LEU  21          2HD1      LEU  21  -8.193  -1.750 -10.693
  126   3HD1  LEU  21          3HD1      LEU  21  -9.202  -2.059 -12.106
  127   1HD2  LEU  21          1HD2      LEU  21 -10.160   0.429  -9.502
  128   2HD2  LEU  21          2HD2      LEU  21 -11.030   0.352 -11.034
  129   3HD2  LEU  21          3HD2      LEU  21  -9.271   0.222 -11.010
  130    H    ARG  22           H        ARG  22 -14.170   0.309 -10.406
  131    HA   ARG  22           HA       ARG  22 -16.504  -1.090 -11.486
  132   1HB   ARG  22          2HB       ARG  22 -16.033   1.411 -10.261
  133   2HB   ARG  22          1HB       ARG  22 -16.578   1.767 -11.900
  134   1HG   ARG  22          2HG       ARG  22 -18.064  -0.376 -10.489
  135   2HG   ARG  22          1HG       ARG  22 -18.281   1.254  -9.851
  136   1HD   ARG  22          2HD       ARG  22 -19.072   2.078 -11.943
  137   2HD   ARG  22          1HD       ARG  22 -18.528   0.637 -12.800
  138    HE   ARG  22           HE       ARG  22 -20.463  -0.047 -10.768
  139   1HH1  ARG  22          1HH1      ARG  22 -20.422  -1.272 -13.482
  140   2HH1  ARG  22          2HH1      ARG  22 -21.826  -0.582 -14.225
  141   1HH2  ARG  22          1HH2      ARG  22 -22.130   1.971 -11.899
  142   2HH2  ARG  22          2HH2      ARG  22 -22.795   1.253 -13.329
  143    HA   PRO  23           HA       PRO  23 -15.102   1.143 -15.459
  144   1HB   PRO  23          2HB       PRO  23 -12.715   2.500 -15.394
  145   2HB   PRO  23          1HB       PRO  23 -14.274   3.242 -14.993
  146   1HG   PRO  23          2HG       PRO  23 -12.064   2.424 -13.173
  147   2HG   PRO  23          1HG       PRO  23 -13.317   3.653 -12.934
  148   1HD   PRO  23          2HD       PRO  23 -13.286   1.043 -11.817
  149   2HD   PRO  23          1HD       PRO  23 -14.655   2.175 -11.805
  150    H    GLY  24           H        GLY  24 -12.750   1.138 -16.881
  151   1HA   GLY  24          2HA       GLY  24 -11.896  -1.685 -16.616
  152   2HA   GLY  24          1HA       GLY  24 -11.608  -0.648 -18.014
  153    H    ALA  25           H        ALA  25 -10.961   0.888 -15.044
  154    HA   ALA  25           HA       ALA  25  -8.207   1.288 -15.626
  155   1HB   ALA  25          1HB       ALA  25  -9.540   2.744 -14.113
  156   2HB   ALA  25          2HB       ALA  25  -8.044   2.196 -13.355
  157   3HB   ALA  25          3HB       ALA  25  -9.579   1.442 -12.925
  158    H    GLN  26           H        GLN  26  -6.481   0.615 -13.856
  159    HA   GLN  26           HA       GLN  26  -6.790  -2.330 -13.451
  160   1HB   GLN  26          2HB       GLN  26  -4.683  -0.723 -14.599
  161   2HB   GLN  26          1HB       GLN  26  -4.071  -1.660 -13.238
  162   1HG   GLN  26          2HG       GLN  26  -4.370  -3.651 -14.310
  163   2HG   GLN  26          1HG       GLN  26  -5.872  -3.125 -15.070
  164   1HE2  GLN  26          1HE2      GLN  26  -5.255  -1.031 -16.651
  165   2HE2  GLN  26          2HE2      GLN  26  -4.016  -1.402 -17.751
  166    H    CYS  27           H        CYS  27  -7.057   0.417 -11.745
  167    HA   CYS  27           HA       CYS  27  -6.737  -0.804  -9.200
  168   1HB   CYS  27          2HB       CYS  27  -4.692   0.265  -8.403
  169   2HB   CYS  27          1HB       CYS  27  -4.326  -0.713  -9.825
  170    H    GLY  28           H        GLY  28  -8.033   0.384  -7.883
  171   1HA   GLY  28          2HA       GLY  28  -8.693   3.155  -8.708
  172   2HA   GLY  28          1HA       GLY  28  -9.614   2.181  -7.566
  173    H    GLU  29           H        GLU  29  -6.724   1.495  -6.490
  174    HA   GLU  29           HA       GLU  29  -5.736   3.931  -5.339
  175   1HB   GLU  29          2HB       GLU  29  -6.547   3.650  -3.048
  176   2HB   GLU  29          1HB       GLU  29  -7.911   3.820  -4.148
  177   1HG   GLU  29          2HG       GLU  29  -8.689   1.926  -3.172
  178   2HG   GLU  29          1HG       GLU  29  -7.493   1.099  -4.169
  179    H    GLY  30           H        GLY  30  -3.659   3.469  -4.803
  180   1HA   GLY  30          2HA       GLY  30  -2.824   1.240  -3.247
  181   2HA   GLY  30          1HA       GLY  30  -2.558   0.858  -4.949
  182    H    LEU  31           H        LEU  31  -0.348   1.073  -3.282
  183    HA   LEU  31           HA       LEU  31   0.801   3.667  -3.084
  184   1HB   LEU  31          2HB       LEU  31   1.649   0.962  -2.693
  185   2HB   LEU  31          1HB       LEU  31   2.896   1.844  -3.566
  186    HG   LEU  31           HG       LEU  31   3.115   1.995  -1.068
  187   1HD1  LEU  31          1HD1      LEU  31   2.512   4.573  -2.550
  188   2HD1  LEU  31          2HD1      LEU  31   4.064   3.737  -2.518
  189   3HD1  LEU  31          3HD1      LEU  31   3.420   4.460  -1.044
  190   1HD2  LEU  31          1HD2      LEU  31   1.377   2.633   0.233
  191   2HD2  LEU  31          2HD2      LEU  31   0.362   2.389  -1.189
  192   3HD2  LEU  31          3HD2      LEU  31   0.994   3.994  -0.821
  193    H    CYS  32           H        CYS  32   1.365   1.153  -5.561
  194    HA   CYS  32           HA       CYS  32   2.500   3.258  -7.331
  195   1HB   CYS  32          2HB       CYS  32   2.432   0.396  -8.172
  196   2HB   CYS  32          1HB       CYS  32   3.698   1.600  -8.395
  197    H    CYS  33           H        CYS  33  -0.286   3.402  -6.974
  198    HA   CYS  33           HA       CYS  33  -1.347   2.186  -9.482
  199   1HB   CYS  33          2HB       CYS  33  -2.742   1.587  -7.643
  200   2HB   CYS  33          1HB       CYS  33  -2.723   3.221  -6.994
  201    H    GLU  34           H        GLU  34  -0.722   3.663 -11.044
  202    HA   GLU  34           HA       GLU  34  -0.694   6.494 -10.761
  203   1HB   GLU  34          2HB       GLU  34   0.023   4.723 -12.726
  204   2HB   GLU  34          1HB       GLU  34  -1.396   5.489 -13.428
  205   1HG   GLU  34          2HG       GLU  34  -0.441   7.686 -13.161
  206   2HG   GLU  34          1HG       GLU  34   0.898   7.040 -12.210
  207    H    GLN  35           H        GLN  35  -2.307   7.620 -12.700
  208    HA   GLN  35           HA       GLN  35  -4.807   7.873 -11.389
  209   1HB   GLN  35          2HB       GLN  35  -3.829   8.562 -14.152
  210   2HB   GLN  35          1HB       GLN  35  -5.531   8.768 -13.742
  211   1HG   GLN  35          2HG       GLN  35  -4.675  10.045 -11.662
  212   2HG   GLN  35          1HG       GLN  35  -3.131  10.122 -12.513
  213   1HE2  GLN  35          1HE2      GLN  35  -3.220  12.411 -12.955
  214   2HE2  GLN  35          2HE2      GLN  35  -4.367  13.088 -14.007
  215    H    CYS  36           H        CYS  36  -5.627   5.741 -11.020
  216    HA   CYS  36           HA       CYS  36  -6.796   3.777 -11.551
  217   1HB   CYS  36          2HB       CYS  36  -7.676   5.728 -13.677
  218   2HB   CYS  36          1HB       CYS  36  -8.291   4.079 -13.651
  219    H    LYS  37           H        LYS  37  -4.146   3.622 -12.277
  220    HA   LYS  37           HA       LYS  37  -4.280   1.748 -14.529
  221   1HB   LYS  37          2HB       LYS  37  -3.468   4.457 -14.964
  222   2HB   LYS  37          1HB       LYS  37  -2.042   3.428 -15.114
  223   1HG   LYS  37          2HG       LYS  37  -2.830   3.176 -17.253
  224   2HG   LYS  37          1HG       LYS  37  -3.813   1.926 -16.490
  225   1HD   LYS  37          2HD       LYS  37  -5.631   3.044 -17.219
  226   2HD   LYS  37          1HD       LYS  37  -5.228   4.303 -16.051
  227   1HE   LYS  37          2HE       LYS  37  -4.027   4.189 -18.828
  228   2HE   LYS  37          1HE       LYS  37  -5.485   5.106 -18.449
  229   1HZ   LYS  37          1HZ       LYS  37  -3.500   6.484 -18.317
  230   2HZ   LYS  37          2HZ       LYS  37  -2.841   5.452 -17.140
  231   3HZ   LYS  37          3HZ       LYS  37  -4.244   6.347 -16.799
  232    H    PHE  38           H        PHE  38  -2.337   0.413 -14.625
  233    HA   PHE  38           HA       PHE  38  -1.106   0.034 -12.024
  234   1HB   PHE  38          2HB       PHE  38  -1.029  -1.311 -14.662
  235   2HB   PHE  38          1HB       PHE  38   0.427  -1.474 -13.686
  236    HD1  PHE  38           HD1      PHE  38  -2.262  -3.302 -14.453
  237    HD2  PHE  38           HD2      PHE  38  -0.518  -1.518 -10.958
  238    HE1  PHE  38           HE1      PHE  38  -3.383  -4.996 -13.030
  239    HE2  PHE  38           HE2      PHE  38  -1.637  -3.211  -9.533
  240    HZ   PHE  38           HZ       PHE  38  -3.070  -4.949 -10.569
  241    H    SER  39           H        SER  39   0.624   1.167 -11.275
  242    HA   SER  39           HA       SER  39   2.072   3.065 -12.796
  243   1HB   SER  39          2HB       SER  39   2.700   1.603 -10.259
  244   2HB   SER  39          1HB       SER  39   3.856   2.722 -10.960
  245    HG   SER  39           HG       SER  39   2.264   4.328 -10.844
  246    H    ARG  40           H        ARG  40   4.450   2.864 -13.398
  247    HA   ARG  40           HA       ARG  40   4.842   0.262 -14.714
  248   1HB   ARG  40          2HB       ARG  40   6.745   1.456 -15.863
  249   2HB   ARG  40          1HB       ARG  40   5.167   2.196 -16.139
  250   1HG   ARG  40          2HG       ARG  40   5.893   4.127 -15.248
  251   2HG   ARG  40          1HG       ARG  40   6.288   3.299 -13.740
  252   1HD   ARG  40          2HD       ARG  40   8.497   2.820 -14.449
  253   2HD   ARG  40          1HD       ARG  40   8.117   3.162 -16.137
  254    HE   ARG  40           HE       ARG  40   8.518   5.209 -14.016
  255   1HH1  ARG  40          1HH2      ARG  40  10.371   5.214 -16.277
  256   2HH1  ARG  40          2HH2      ARG  40   9.673   6.363 -17.369
  257   1HH2  ARG  40          1HH1      ARG  40   6.554   6.304 -15.860
  258   2HH2  ARG  40          2HH1      ARG  40   7.513   6.979 -17.134
  259    H    ALA  41           H        ALA  41   6.965  -0.832 -14.502
  260    HA   ALA  41           HA       ALA  41   7.792  -1.228 -11.848
  261   1HB   ALA  41          1HB       ALA  41   9.913  -2.153 -12.851
  262   2HB   ALA  41          2HB       ALA  41   9.362  -1.563 -14.419
  263   3HB   ALA  41          3HB       ALA  41   8.441  -2.805 -13.570
  264    H    GLY  42           H        GLY  42  10.322  -0.783 -11.294
  265   1HA   GLY  42          2HA       GLY  42  11.834   0.888 -10.629
  266   2HA   GLY  42          1HA       GLY  42  11.438   1.693 -12.143
  267    H    LYS  43           H        LYS  43   8.915   0.892  -9.820
  268    HA   LYS  43           HA       LYS  43   8.470   3.809  -9.507
  269   1HB   LYS  43          2HB       LYS  43   6.539   2.592 -10.297
  270   2HB   LYS  43          1HB       LYS  43   6.681   1.440  -8.973
  271   1HG   LYS  43          2HG       LYS  43   4.978   2.956  -8.289
  272   2HG   LYS  43          1HG       LYS  43   6.414   3.445  -7.398
  273   1HD   LYS  43          2HD       LYS  43   6.657   5.395  -8.575
  274   2HD   LYS  43          1HD       LYS  43   6.038   4.691 -10.069
  275   1HE   LYS  43          2HE       LYS  43   4.121   5.805  -9.630
  276   2HE   LYS  43          1HE       LYS  43   3.846   4.604  -8.369
  277   1HZ   LYS  43          1HZ       LYS  43   5.568   6.347  -7.213
  278   2HZ   LYS  43          2HZ       LYS  43   3.885   6.327  -6.982
  279   3HZ   LYS  43          3HZ       LYS  43   4.576   7.369  -8.133
  280    H    ILE  44           H        ILE  44   9.117   4.767  -7.646
  281    HA   ILE  44           HA       ILE  44   9.970   3.142  -5.378
  282    HB   ILE  44           HB       ILE  44  11.270   5.085  -5.738
  283   1HG1  ILE  44          2HG1      ILE  44  10.806   6.517  -3.725
  284   2HG1  ILE  44          1HG1      ILE  44   9.286   5.650  -3.510
  285   1HG2  ILE  44          1HG2      ILE  44   9.851   7.357  -5.588
  286   2HG2  ILE  44          2HG2      ILE  44   8.605   6.302  -6.255
  287   3HG2  ILE  44          3HG2      ILE  44  10.129   6.520  -7.114
  288   1HD1  ILE  44          1HD1      ILE  44  12.060   4.424  -3.480
  289   2HD1  ILE  44          2HD1      ILE  44  10.554   3.517  -3.346
  290   3HD1  ILE  44          3HD1      ILE  44  11.010   4.660  -2.082
  291    H    CYS  45           H        CYS  45   8.213   2.137  -4.437
  292    HA   CYS  45           HA       CYS  45   5.767   3.662  -3.806
  293   1HB   CYS  45          2HB       CYS  45   5.064   1.446  -2.783
  294   2HB   CYS  45          1HB       CYS  45   5.386   1.415  -4.508
  295    H    ARG  46           H        ARG  46   8.759   3.048  -2.332
  296    HA   ARG  46           HA       ARG  46   7.922   4.375   0.111
  297   1HB   ARG  46          2HB       ARG  46   7.217   1.828   0.247
  298   2HB   ARG  46          1HB       ARG  46   8.928   1.596   0.608
  299   1HG   ARG  46          2HG       ARG  46   8.669   2.398   2.699
  300   2HG   ARG  46          1HG       ARG  46   7.846   3.840   2.103
  301   1HD   ARG  46          2HD       ARG  46   5.825   2.195   1.752
  302   2HD   ARG  46          1HD       ARG  46   6.679   1.199   2.932
  303    HE   ARG  46           HE       ARG  46   5.219   3.617   3.522
  304   1HH1  ARG  46          1HH1      ARG  46   6.804   1.097   4.934
  305   2HH1  ARG  46          2HH1      ARG  46   7.456   1.985   6.271
  306   1HH2  ARG  46          1HH2      ARG  46   6.589   5.083   4.975
  307   2HH2  ARG  46          2HH2      ARG  46   7.333   4.244   6.294
  308    H    ILE  47           H        ILE  47   9.667   5.566   0.643
  309    HA   ILE  47           HA       ILE  47  12.271   5.078  -0.493
  310    HB   ILE  47           HB       ILE  47  11.716   7.344   0.027
  311   1HG1  ILE  47          2HG1      ILE  47  13.484   7.985   1.649
  312   2HG1  ILE  47          1HG1      ILE  47  13.622   6.299   2.147
  313   1HG2  ILE  47          1HG2      ILE  47  10.164   7.618   1.648
  314   2HG2  ILE  47          2HG2      ILE  47  11.510   7.568   2.787
  315   3HG2  ILE  47          3HG2      ILE  47  10.601   6.099   2.429
  316   1HD1  ILE  47          1HD1      ILE  47  14.688   7.632  -0.239
  317   2HD1  ILE  47          2HD1      ILE  47  13.826   6.139  -0.605
  318   3HD1  ILE  47          3HD1      ILE  47  15.184   6.119   0.518
  319    H    ALA  48           H        ALA  48  14.158   4.289   0.565
  320    HA   ALA  48           HA       ALA  48  13.979   2.073   2.209
  321   1HB   ALA  48          1HB       ALA  48  16.136   4.158   1.934
  322   2HB   ALA  48          2HB       ALA  48  16.128   2.494   1.353
  323   3HB   ALA  48          3HB       ALA  48  16.324   2.827   3.073
  324    H    ARG  49           H        ARG  49  14.199   1.728   4.508
  325    HA   ARG  49           HA       ARG  49  12.959   3.887   6.097
  326   1HB   ARG  49          2HB       ARG  49  13.744   1.283   7.293
  327   2HB   ARG  49          1HB       ARG  49  12.326   2.271   7.614
  328   1HG   ARG  49          2HG       ARG  49  12.808   0.674   5.078
  329   2HG   ARG  49          1HG       ARG  49  11.729   0.202   6.390
  330   1HD   ARG  49          2HD       ARG  49  10.253   2.010   5.981
  331   2HD   ARG  49          1HD       ARG  49  11.438   2.858   4.986
  332    HE   ARG  49           HE       ARG  49  10.442   1.704   3.199
  333   1HH1  ARG  49          1HH1      ARG  49   8.543   0.342   5.263
  334   2HH1  ARG  49          2HH1      ARG  49   8.776  -1.319   4.832
  335   1HH2  ARG  49          1HH2      ARG  49  11.628  -0.708   2.956
  336   2HH2  ARG  49          2HH2      ARG  49  10.521  -1.913   3.526
  337    H    GLY  50           H        GLY  50  15.906   3.681   5.136
  338   1HA   GLY  50          2HA       GLY  50  17.074   4.981   7.387
  339   2HA   GLY  50          1HA       GLY  50  17.607   3.301   7.357
  340    H    ASP  51           H        ASP  51  18.163   2.655   4.877
  341    HA   ASP  51           HA       ASP  51  19.172   4.517   3.045
  342   1HB   ASP  51          2HB       ASP  51  20.687   4.541   5.439
  343   2HB   ASP  51          1HB       ASP  51  21.664   3.753   4.204
  344    H    TRP  52           H        TRP  52  18.670   2.869   1.573
  345    HA   TRP  52           HA       TRP  52  20.707   1.018   0.881
  346   1HB   TRP  52          2HB       TRP  52  18.902  -0.990   1.477
  347   2HB   TRP  52          1HB       TRP  52  20.351  -0.628   2.405
  348    HD1  TRP  52           HD1      TRP  52  16.892   1.080   2.252
  349    HE1  TRP  52           HE1      TRP  52  16.022   1.357   4.663
  350    HE3  TRP  52           HE3      TRP  52  20.710  -1.098   4.792
  351    HZ2  TRP  52           HZ2      TRP  52  16.855   0.731   7.331
  352    HZ3  TRP  52           HZ3      TRP  52  20.665  -1.253   7.267
  353    HH2  TRP  52           HH2      TRP  52  18.742  -0.339   8.539
  354    H    ASN  53           H        ASN  53  19.118  -1.007  -0.317
  355    HA   ASN  53           HA       ASN  53  18.254   0.291  -2.685
  356   1HB   ASN  53          2HB       ASN  53  18.281  -2.404  -1.624
  357   2HB   ASN  53          1HB       ASN  53  16.776  -2.099  -2.489
  358   1HD2  ASN  53          1HD2      ASN  53  17.046  -1.150  -4.762
  359   2HD2  ASN  53          2HD2      ASN  53  18.415  -1.606  -5.657
  360    H    ASP  54           H        ASP  54  16.551   1.648  -2.878
  361    HA   ASP  54           HA       ASP  54  14.470   1.885  -0.923
  362   1HB   ASP  54          2HB       ASP  54  13.331   3.251  -2.757
  363   2HB   ASP  54          1HB       ASP  54  14.937   3.799  -2.279
  364    H    ASP  55           H        ASP  55  12.059   1.750  -1.746
  365    HA   ASP  55           HA       ASP  55  11.659  -1.044  -2.615
  366   1HB   ASP  55          2HB       ASP  55  10.385   0.586  -0.770
  367   2HB   ASP  55          1HB       ASP  55   9.267   0.540  -2.127
  368    H    ARG  56           H        ARG  56  11.111  -1.543  -4.681
  369    HA   ARG  56           HA       ARG  56  10.127   0.657  -6.458
  370   1HB   ARG  56          2HB       ARG  56  12.452  -0.600  -6.779
  371   2HB   ARG  56          1HB       ARG  56  11.418  -1.806  -7.548
  372   1HG   ARG  56          2HG       ARG  56  11.704  -0.496  -9.388
  373   2HG   ARG  56          1HG       ARG  56  10.422   0.466  -8.652
  374   1HD   ARG  56          2HD       ARG  56  11.971   2.140  -8.894
  375   2HD   ARG  56          1HD       ARG  56  12.538   1.506  -7.348
  376    HE   ARG  56           HE       ARG  56  13.797   0.076  -9.491
  377   1HH1  ARG  56          1HH2      ARG  56  13.946   2.758  -7.377
  378   2HH1  ARG  56          2HH2      ARG  56  15.484   3.310  -7.951
  379   1HH2  ARG  56          1HH1      ARG  56  15.696   0.934 -10.468
  380   2HH2  ARG  56          2HH1      ARG  56  16.475   2.278  -9.701
  381    H    CYS  57           H        CYS  57   8.455   0.098  -7.954
  382    HA   CYS  57           HA       CYS  57   6.908  -2.317  -7.160
  383   1HB   CYS  57          2HB       CYS  57   5.940  -0.194  -9.069
  384   2HB   CYS  57          1HB       CYS  57   4.992  -1.296  -8.081
  385    H    THR  58           H        THR  58   6.044  -3.642  -8.935
  386    HA   THR  58           HA       THR  58   8.039  -4.042 -11.034
  387    HB   THR  58           HB       THR  58   6.977  -6.090 -11.420
  388    HG1  THR  58           HG1      THR  58   4.758  -6.382 -10.925
  389   1HG2  THR  58          1HG2      THR  58   6.980  -7.015  -9.335
  390   2HG2  THR  58          2HG2      THR  58   5.774  -5.879  -8.726
  391   3HG2  THR  58          3HG2      THR  58   7.468  -5.398  -8.826
  392    H    GLY  59           H        GLY  59   6.342  -4.870 -13.164
  393   1HA   GLY  59          1HA       GLY  59   5.490  -2.198 -14.131
  394   2HA   GLY  59          2HA       GLY  59   5.759  -3.618 -15.141
  395    H    GLN  60           H        GLN  60   3.958  -4.277 -12.305
  396    HA   GLN  60           HA       GLN  60   1.341  -3.659 -13.471
  397   1HB   GLN  60          2HB       GLN  60   2.180  -6.552 -13.117
  398   2HB   GLN  60          1HB       GLN  60   0.588  -5.986 -13.623
  399   1HG   GLN  60          2HG       GLN  60   1.737  -4.835 -15.571
  400   2HG   GLN  60          1HG       GLN  60   3.202  -5.709 -15.122
  401   1HE2  GLN  60          1HE2      GLN  60   1.330  -8.024 -14.192
  402   2HE2  GLN  60          2HE2      GLN  60   0.939  -8.817 -15.639
  403    H    SER  61           H        SER  61   3.054  -3.442 -10.896
  404    HA   SER  61           HA       SER  61   1.149  -4.756  -9.015
  405   1HB   SER  61          2HB       SER  61   3.286  -5.296  -8.268
  406   2HB   SER  61          1HB       SER  61   3.969  -3.759  -8.791
  407    HG   SER  61           HG       SER  61   3.404  -2.893  -6.950
  408    H    ALA  62           H        ALA  62  -0.352  -3.520  -7.980
  409    HA   ALA  62           HA       ALA  62  -0.181  -0.571  -8.300
  410   1HB   ALA  62          1HB       ALA  62  -2.353  -1.065  -8.851
  411   2HB   ALA  62          2HB       ALA  62  -2.576  -0.962  -7.104
  412   3HB   ALA  62          3HB       ALA  62  -2.373  -2.534  -7.876
  413    H    ASP  63           H        ASP  63   0.198  -3.059  -5.944
  414    HA   ASP  63           HA       ASP  63   0.139  -1.035  -3.753
  415   1HB   ASP  63          2HB       ASP  63   0.249  -4.007  -3.382
  416   2HB   ASP  63          1HB       ASP  63  -0.268  -2.789  -2.224
  417    H    CYS  64           H        CYS  64   1.817  -1.977  -1.919
  418    HA   CYS  64           HA       CYS  64   4.362  -2.664  -3.304
  419   1HB   CYS  64          2HB       CYS  64   4.320  -0.216  -3.088
  420   2HB   CYS  64          1HB       CYS  64   4.003  -0.362  -1.360
  421    HA   PRO  65           HA       PRO  65   4.457  -5.355   0.185
  422   1HB   PRO  65          2HB       PRO  65   6.721  -6.649  -0.644
  423   2HB   PRO  65          1HB       PRO  65   5.117  -7.003  -1.285
  424   1HG   PRO  65          2HG       PRO  65   7.392  -5.568  -2.550
  425   2HG   PRO  65          1HG       PRO  65   6.032  -6.409  -3.313
  426   1HD   PRO  65          2HD       PRO  65   6.306  -3.604  -2.994
  427   2HD   PRO  65          1HD       PRO  65   4.843  -4.473  -3.506
  428    H    ARG  66           H        ARG  66   6.901  -6.250   1.237
  429    HA   ARG  66           HA       ARG  66   8.494  -3.843   1.822
  430   1HB   ARG  66          2HB       ARG  66   8.370  -4.515   4.309
  431   2HB   ARG  66          1HB       ARG  66   6.960  -3.706   3.625
  432   1HG   ARG  66          2HG       ARG  66   5.701  -5.672   3.546
  433   2HG   ARG  66          1HG       ARG  66   7.132  -6.705   3.547
  434   1HD   ARG  66          2HD       ARG  66   6.592  -6.981   5.753
  435   2HD   ARG  66          1HD       ARG  66   7.454  -5.454   5.932
  436    HE   ARG  66           HE       ARG  66   5.055  -4.438   5.568
  437   1HH1  ARG  66          1HH1      ARG  66   6.086  -5.689   8.287
  438   2HH1  ARG  66          2HH1      ARG  66   4.615  -6.430   8.821
  439   1HH2  ARG  66          1HH2      ARG  66   3.039  -6.139   5.746
  440   2HH2  ARG  66          2HH2      ARG  66   2.889  -6.682   7.384
  441    H    TYR  67           H        TYR  67  10.043  -5.111   0.527
  442    HA   TYR  67           HA       TYR  67  10.941  -7.702   1.322
  443   1HB   TYR  67          2HB       TYR  67  11.445  -6.941  -0.889
  444   2HB   TYR  67          1HB       TYR  67  12.259  -5.518  -0.256
  445    HD1  TYR  67           HD1      TYR  67  14.578  -5.599  -0.417
  446    HD2  TYR  67           HD2      TYR  67  12.400  -9.212   0.391
  447    HE1  TYR  67           HE1      TYR  67  16.709  -6.862  -0.316
  448    HE2  TYR  67           HE2      TYR  67  14.531 -10.474   0.493
  449    HH   TYR  67           HH       TYR  67  17.028  -9.959  -0.658
  450    H    HIS  68           HN       HIS  68  11.615  -4.517   2.521
  451    HA   HIS  68           HA       HIS  68  13.957  -5.516   4.059
  452   1HB   HIS  68          2HB       HIS  68  13.805  -3.217   2.779
  453   2HB   HIS  68          1HB       HIS  68  12.926  -2.698   4.217
  454    HD1  HIS  68           HD1      HIS  68  14.239  -3.083   6.559
  455    HD2  HIS  68           HD2      HIS  68  16.568  -3.281   3.106
  456    HE1  HIS  68           HE1      HIS  68  16.648  -2.840   7.304
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1  -7.302 -10.812   1.529
    2   2H    GLY   1          2HT       GLY   1  -6.118 -10.034   0.593
    3   3H    GLY   1          3HT       GLY   1  -7.034 -11.302  -0.073
    4   1HA   GLY   1          1HA       GLY   1  -8.432  -8.930   0.944
    5   2HA   GLY   1          2HA       GLY   1  -7.620  -8.839  -0.619
    6    H    LYS   2           H        LYS   2 -10.578  -9.193   0.470
    7    HA   LYS   2           HA       LYS   2 -11.303 -11.524  -1.238
    8   1HB   LYS   2          2HB       LYS   2 -12.198 -10.753   1.273
    9   2HB   LYS   2          1HB       LYS   2 -13.487 -10.205   0.201
   10   1HG   LYS   2          2HG       LYS   2 -13.445 -12.507  -0.860
   11   2HG   LYS   2          1HG       LYS   2 -12.364 -13.007   0.441
   12   1HD   LYS   2          2HD       LYS   2 -14.455 -13.592   1.304
   13   2HD   LYS   2          1HD       LYS   2 -14.207 -11.992   2.005
   14   1HE   LYS   2          2HE       LYS   2 -15.376 -11.221  -0.265
   15   2HE   LYS   2          1HE       LYS   2 -16.066 -12.841  -0.174
   16   1HZ   LYS   2          1HZ       LYS   2 -16.298 -10.637   1.783
   17   2HZ   LYS   2          2HZ       LYS   2 -16.623 -12.249   2.211
   18   3HZ   LYS   2          3HZ       LYS   2 -17.540 -11.487   1.001
   19    H    GLU   3           H        GLU   3 -14.054 -10.474  -1.554
   20    HA   GLU   3           HA       GLU   3 -13.696  -9.103  -4.049
   21   1HB   GLU   3          2HB       GLU   3 -15.854 -10.241  -2.571
   22   2HB   GLU   3          1HB       GLU   3 -16.309  -8.602  -3.038
   23   1HG   GLU   3          2HG       GLU   3 -16.858  -9.540  -5.032
   24   2HG   GLU   3          1HG       GLU   3 -15.119  -9.528  -5.333
   25    H    CYS   4           H        CYS   4 -12.433  -7.226  -3.611
   26    HA   CYS   4           HA       CYS   4 -13.896  -4.831  -3.021
   27   1HB   CYS   4          2HB       CYS   4 -12.384  -6.098  -0.800
   28   2HB   CYS   4          1HB       CYS   4 -12.226  -4.359  -0.988
   29    H    ASP   5           H        ASP   5 -12.593  -5.063  -5.201
   30    HA   ASP   5           HA       ASP   5  -9.889  -4.922  -5.560
   31   1HB   ASP   5          2HB       ASP   5 -11.733  -4.565  -7.294
   32   2HB   ASP   5          1HB       ASP   5 -11.689  -2.861  -6.836
   33    H    CYS   6           H        CYS   6 -11.871  -2.359  -4.111
   34    HA   CYS   6           HA       CYS   6  -9.308  -0.928  -3.514
   35   1HB   CYS   6          2HB       CYS   6 -10.406   1.173  -3.711
   36   2HB   CYS   6          1HB       CYS   6 -10.929   0.242  -5.110
   37    H    SER   7           H        SER   7  -9.423   0.375  -1.462
   38    HA   SER   7           HA       SER   7 -10.910  -1.183   0.593
   39   1HB   SER   7          2HB       SER   7  -9.180   0.633   1.859
   40   2HB   SER   7          1HB       SER   7  -8.919  -1.095   1.643
   41    HG   SER   7           HG       SER   7  -7.301   0.466   0.753
   42    H    SER   8           H        SER   8 -10.813   1.905  -0.954
   43    HA   SER   8           HA       SER   8 -12.514   3.075   1.191
   44   1HB   SER   8          2HB       SER   8 -10.447   4.140  -0.456
   45   2HB   SER   8          1HB       SER   8 -11.946   4.972  -0.851
   46    HG   SER   8           HG       SER   8 -10.959   5.988   0.895
   47    HA   PRO   9           HA       PRO   9 -15.915   2.409  -1.591
   48   1HB   PRO   9          2HB       PRO   9 -17.813   3.597   0.004
   49   2HB   PRO   9          1HB       PRO   9 -17.186   1.962   0.279
   50   1HG   PRO   9          2HG       PRO   9 -16.606   4.471   1.781
   51   2HG   PRO   9          1HG       PRO   9 -16.526   2.789   2.332
   52   1HD   PRO   9          2HD       PRO   9 -14.320   4.407   1.588
   53   2HD   PRO   9          1HD       PRO   9 -14.293   2.649   1.847
   54    H    GLU  10           H        GLU  10 -14.353   5.266  -1.006
   55    HA   GLU  10           HA       GLU  10 -16.370   6.924  -2.450
   56   1HB   GLU  10          2HB       GLU  10 -13.927   7.650  -0.814
   57   2HB   GLU  10          1HB       GLU  10 -14.824   8.827  -1.774
   58   1HG   GLU  10          2HG       GLU  10 -15.988   9.078   0.186
   59   2HG   GLU  10          1HG       GLU  10 -16.880   7.693  -0.446
   60    H    ASN  11           H        ASN  11 -13.437   5.226  -2.875
   61    HA   ASN  11           HA       ASN  11 -12.158   6.815  -4.858
   62   1HB   ASN  11          2HB       ASN  11 -11.562   4.478  -3.590
   63   2HB   ASN  11          1HB       ASN  11 -11.998   3.881  -5.192
   64   1HD2  ASN  11          1HD2      ASN  11  -9.404   5.086  -3.409
   65   2HD2  ASN  11          2HD2      ASN  11  -8.417   5.588  -4.695
   66    HA   PRO  12           HA       PRO  12 -15.091   6.184  -8.146
   67   1HB   PRO  12          2HB       PRO  12 -13.641   7.499 -10.076
   68   2HB   PRO  12          1HB       PRO  12 -14.591   8.330  -8.831
   69   1HG   PRO  12          2HG       PRO  12 -11.633   8.009  -9.031
   70   2HG   PRO  12          1HG       PRO  12 -12.572   9.281  -8.232
   71   1HD   PRO  12          2HD       PRO  12 -11.297   7.102  -6.949
   72   2HD   PRO  12          1HD       PRO  12 -12.496   8.191  -6.218
   73    H    CYS  13           H        CYS  13 -11.732   5.226  -8.205
   74    HA   CYS  13           HA       CYS  13 -11.755   3.818 -10.720
   75   1HB   CYS  13          2HB       CYS  13 -10.005   3.817  -8.288
   76   2HB   CYS  13          1HB       CYS  13  -9.828   2.519  -9.463
   77    H    CYS  14           H        CYS  14 -13.067   3.091  -7.600
   78    HA   CYS  14           HA       CYS  14 -13.605   0.321  -8.575
   79   1HB   CYS  14          2HB       CYS  14 -13.395  -0.543  -6.375
   80   2HB   CYS  14          1HB       CYS  14 -11.998   0.503  -6.612
   81    H    ASP  15           H        ASP  15 -15.327  -0.359  -6.480
   82    HA   ASP  15           HA       ASP  15 -17.578   1.557  -6.683
   83   1HB   ASP  15          2HB       ASP  15 -17.404  -0.469  -8.469
   84   2HB   ASP  15          1HB       ASP  15 -18.240  -1.274  -7.152
   85    H    ALA  16           H        ALA  16 -18.320   1.802  -4.633
   86    HA   ALA  16           HA       ALA  16 -17.566   0.073  -2.481
   87   1HB   ALA  16          1HB       ALA  16 -19.603   1.375  -1.373
   88   2HB   ALA  16          2HB       ALA  16 -19.443   2.377  -2.814
   89   3HB   ALA  16          3HB       ALA  16 -18.079   2.193  -1.711
   90    H    ALA  17           H        ALA  17 -20.092  -0.125  -4.813
   91    HA   ALA  17           HA       ALA  17 -21.906  -1.716  -3.176
   92   1HB   ALA  17          1HB       ALA  17 -21.727  -1.081  -6.122
   93   2HB   ALA  17          2HB       ALA  17 -22.956  -0.575  -4.963
   94   3HB   ALA  17          3HB       ALA  17 -22.893  -2.252  -5.506
   95    H    THR  18           H        THR  18 -20.122  -2.604  -6.149
   96    HA   THR  18           HA       THR  18 -20.114  -5.417  -5.270
   97    HB   THR  18           HB       THR  18 -20.491  -4.624  -7.679
   98    HG1  THR  18           HG1      THR  18 -20.097  -6.699  -7.681
   99   1HG2  THR  18          1HG2      THR  18 -18.095  -3.289  -7.215
  100   2HG2  THR  18          2HG2      THR  18 -18.879  -3.507  -8.780
  101   3HG2  THR  18          3HG2      THR  18 -17.638  -4.643  -8.250
  102    H    CYS  19           H        CYS  19 -18.346  -2.901  -4.324
  103    HA   CYS  19           HA       CYS  19 -16.092  -2.560  -3.709
  104   1HB   CYS  19          2HB       CYS  19 -17.141  -4.777  -2.400
  105   2HB   CYS  19          1HB       CYS  19 -15.604  -5.327  -3.011
  106    H    LYS  20           H        LYS  20 -15.978  -2.673  -6.342
  107    HA   LYS  20           HA       LYS  20 -13.452  -4.035  -6.816
  108   1HB   LYS  20          2HB       LYS  20 -15.984  -5.263  -7.654
  109   2HB   LYS  20          1HB       LYS  20 -14.772  -5.139  -8.936
  110   1HG   LYS  20          2HG       LYS  20 -13.293  -5.961  -6.749
  111   2HG   LYS  20          1HG       LYS  20 -14.807  -6.844  -6.554
  112   1HD   LYS  20          2HD       LYS  20 -13.949  -8.316  -8.047
  113   2HD   LYS  20          1HD       LYS  20 -14.302  -7.088  -9.263
  114   1HE   LYS  20          2HE       LYS  20 -12.090  -6.255  -9.236
  115   2HE   LYS  20          1HE       LYS  20 -11.721  -7.046  -7.702
  116   1HZ   LYS  20          1HZ       LYS  20 -11.173  -8.029 -10.183
  117   2HZ   LYS  20          2HZ       LYS  20 -12.559  -8.894  -9.720
  118   3HZ   LYS  20          3HZ       LYS  20 -11.172  -8.919  -8.739
  119    H    LEU  21           H        LEU  21 -12.583  -3.540  -8.984
  120    HA   LEU  21           HA       LEU  21 -12.843  -0.848  -9.695
  121   1HB   LEU  21          2HB       LEU  21 -11.838  -3.248 -11.182
  122   2HB   LEU  21          1HB       LEU  21 -11.919  -1.677 -11.981
  123    HG   LEU  21           HG       LEU  21 -10.632  -1.986  -9.277
  124   1HD1  LEU  21          1HD1      LEU  21  -9.731  -3.341 -11.493
  125   2HD1  LEU  21          2HD1      LEU  21  -8.708  -2.809 -10.158
  126   3HD1  LEU  21          3HD1      LEU  21  -8.851  -1.818 -11.610
  127   1HD2  LEU  21          1HD2      LEU  21 -10.549   0.244  -9.545
  128   2HD2  LEU  21          2HD2      LEU  21 -11.043   0.129 -11.234
  129   3HD2  LEU  21          3HD2      LEU  21  -9.344  -0.053 -10.796
  130    H    ARG  22           H        ARG  22 -14.385   0.274 -10.708
  131    HA   ARG  22           HA       ARG  22 -16.655  -1.135 -11.921
  132   1HB   ARG  22          2HB       ARG  22 -16.464   1.219 -10.545
  133   2HB   ARG  22          1HB       ARG  22 -16.499   1.801 -12.211
  134   1HG   ARG  22          2HG       ARG  22 -18.494   0.212 -12.545
  135   2HG   ARG  22          1HG       ARG  22 -18.552   0.112 -10.784
  136   1HD   ARG  22          2HD       ARG  22 -18.796   2.546 -10.628
  137   2HD   ARG  22          1HD       ARG  22 -18.673   2.687 -12.382
  138    HE   ARG  22           HE       ARG  22 -20.963   1.427 -10.938
  139   1HH1  ARG  22          1HH2      ARG  22 -20.022   0.834 -13.919
  140   2HH1  ARG  22          2HH2      ARG  22 -21.231   1.745 -14.763
  141   1HH2  ARG  22          1HH1      ARG  22 -22.299   3.448 -11.939
  142   2HH2  ARG  22          2HH1      ARG  22 -22.520   3.223 -13.642
  143    HA   PRO  23           HA       PRO  23 -14.926   1.078 -15.774
  144   1HB   PRO  23          2HB       PRO  23 -12.514   2.372 -15.538
  145   2HB   PRO  23          1HB       PRO  23 -14.076   3.154 -15.243
  146   1HG   PRO  23          2HG       PRO  23 -12.017   2.294 -13.278
  147   2HG   PRO  23          1HG       PRO  23 -13.274   3.529 -13.116
  148   1HD   PRO  23          2HD       PRO  23 -13.333   0.891 -12.046
  149   2HD   PRO  23          1HD       PRO  23 -14.676   2.055 -12.066
  150    H    GLY  24           H        GLY  24 -12.630   0.900 -17.148
  151   1HA   GLY  24          2HA       GLY  24 -11.825  -1.913 -16.764
  152   2HA   GLY  24          1HA       GLY  24 -11.436  -0.907 -18.160
  153    H    ALA  25           H        ALA  25 -10.909   0.500 -15.056
  154    HA   ALA  25           HA       ALA  25  -8.155   0.988 -15.517
  155   1HB   ALA  25          1HB       ALA  25  -9.593   2.236 -13.899
  156   2HB   ALA  25          2HB       ALA  25  -8.069   1.704 -13.191
  157   3HB   ALA  25          3HB       ALA  25  -9.559   0.830 -12.836
  158    H    GLN  26           H        GLN  26  -6.557   0.197 -13.553
  159    HA   GLN  26           HA       GLN  26  -6.694  -2.784 -13.661
  160   1HB   GLN  26          2HB       GLN  26  -4.587  -0.907 -14.240
  161   2HB   GLN  26          1HB       GLN  26  -4.086  -2.004 -12.954
  162   1HG   GLN  26          2HG       GLN  26  -3.838  -3.685 -14.431
  163   2HG   GLN  26          1HG       GLN  26  -5.497  -3.478 -14.991
  164   1HE2  GLN  26          1HE2      GLN  26  -5.832  -1.707 -16.672
  165   2HE2  GLN  26          2HE2      GLN  26  -4.566  -1.375 -17.752
  166    H    CYS  27           H        CYS  27  -7.138  -0.232 -11.570
  167    HA   CYS  27           HA       CYS  27  -7.275  -1.890  -9.259
  168   1HB   CYS  27          2HB       CYS  27  -5.349  -0.827  -7.990
  169   2HB   CYS  27          1HB       CYS  27  -4.865  -1.948  -9.258
  170    H    GLY  28           H        GLY  28  -7.505  -0.475  -7.217
  171   1HA   GLY  28          2HA       GLY  28  -8.863   2.059  -8.016
  172   2HA   GLY  28          1HA       GLY  28  -9.313   1.095  -6.612
  173    H    GLU  29           H        GLU  29  -6.358   0.682  -6.029
  174    HA   GLU  29           HA       GLU  29  -5.097   3.191  -5.566
  175   1HB   GLU  29          2HB       GLU  29  -5.620   3.592  -3.224
  176   2HB   GLU  29          1HB       GLU  29  -7.128   3.529  -4.138
  177   1HG   GLU  29          2HG       GLU  29  -7.855   1.759  -2.954
  178   2HG   GLU  29          1HG       GLU  29  -6.359   0.877  -3.259
  179    H    GLY  30           H        GLY  30  -3.083   2.907  -4.489
  180   1HA   GLY  30          2HA       GLY  30  -2.374   0.656  -2.907
  181   2HA   GLY  30          1HA       GLY  30  -1.945   0.304  -4.581
  182    H    LEU  31           H        LEU  31   0.272   0.323  -3.379
  183    HA   LEU  31           HA       LEU  31   1.337   2.992  -2.809
  184   1HB   LEU  31          2HB       LEU  31   2.128   0.265  -2.330
  185   2HB   LEU  31          1HB       LEU  31   3.471   1.190  -2.989
  186    HG   LEU  31           HG       LEU  31   3.426   1.362  -0.535
  187   1HD1  LEU  31          1HD1      LEU  31   2.741   4.025  -0.661
  188   2HD1  LEU  31          2HD1      LEU  31   3.066   3.651  -2.354
  189   3HD1  LEU  31          3HD1      LEU  31   4.307   3.370  -1.135
  190   1HD2  LEU  31          1HD2      LEU  31   0.616   2.361  -1.060
  191   2HD2  LEU  31          2HD2      LEU  31   1.461   2.652   0.461
  192   3HD2  LEU  31          3HD2      LEU  31   1.106   1.001  -0.050
  193    H    CYS  32           H        CYS  32   0.824   1.144  -5.568
  194    HA   CYS  32           HA       CYS  32   2.511   2.961  -7.153
  195   1HB   CYS  32          2HB       CYS  32   2.989   0.480  -8.375
  196   2HB   CYS  32          1HB       CYS  32   4.160   1.466  -7.508
  197    H    CYS  33           H        CYS  33  -0.015   3.351  -7.291
  198    HA   CYS  33           HA       CYS  33  -0.887   2.025  -9.807
  199   1HB   CYS  33          2HB       CYS  33  -2.189   1.821  -7.199
  200   2HB   CYS  33          1HB       CYS  33  -3.263   2.485  -8.429
  201    H    GLU  34           H        GLU  34  -1.136   3.639 -11.255
  202    HA   GLU  34           HA       GLU  34  -1.401   6.406 -10.397
  203   1HB   GLU  34          2HB       GLU  34  -1.223   6.961 -12.717
  204   2HB   GLU  34          1HB       GLU  34  -0.139   5.594 -12.454
  205   1HG   GLU  34          2HG       GLU  34  -1.244   4.462 -14.052
  206   2HG   GLU  34          1HG       GLU  34  -2.683   4.495 -13.033
  207    H    GLN  35           H        GLN  35  -3.111   7.433 -12.362
  208    HA   GLN  35           HA       GLN  35  -5.631   7.291 -11.076
  209   1HB   GLN  35          2HB       GLN  35  -4.465   8.761 -13.187
  210   2HB   GLN  35          1HB       GLN  35  -5.924   8.025 -13.849
  211   1HG   GLN  35          2HG       GLN  35  -6.671  10.069 -12.909
  212   2HG   GLN  35          1HG       GLN  35  -7.098   8.848 -11.709
  213   1HE2  GLN  35          1HE2      GLN  35  -4.200  10.870 -12.503
  214   2HE2  GLN  35          2HE2      GLN  35  -3.859  11.264 -10.887
  215    H    CYS  36           H        CYS  36  -6.210   5.048 -10.906
  216    HA   CYS  36           HA       CYS  36  -7.380   3.137 -11.616
  217   1HB   CYS  36          2HB       CYS  36  -8.113   5.264 -13.539
  218   2HB   CYS  36          1HB       CYS  36  -8.353   3.615 -14.119
  219    H    LYS  37           H        LYS  37  -4.562   3.187 -12.107
  220    HA   LYS  37           HA       LYS  37  -4.438   1.182 -14.231
  221   1HB   LYS  37          2HB       LYS  37  -3.974   3.861 -14.953
  222   2HB   LYS  37          1HB       LYS  37  -2.375   3.125 -14.832
  223   1HG   LYS  37          2HG       LYS  37  -2.699   2.045 -16.776
  224   2HG   LYS  37          1HG       LYS  37  -4.143   1.269 -16.122
  225   1HD   LYS  37          2HD       LYS  37  -5.572   2.901 -16.971
  226   2HD   LYS  37          1HD       LYS  37  -4.303   4.126 -17.027
  227   1HE   LYS  37          2HE       LYS  37  -3.353   2.151 -18.729
  228   2HE   LYS  37          1HE       LYS  37  -5.086   2.169 -19.058
  229   1HZ   LYS  37          1HZ       LYS  37  -3.610   4.707 -18.870
  230   2HZ   LYS  37          2HZ       LYS  37  -5.029   4.349 -19.732
  231   3HZ   LYS  37          3HZ       LYS  37  -3.526   3.798 -20.299
  232    H    PHE  38           H        PHE  38  -2.359   0.071 -14.245
  233    HA   PHE  38           HA       PHE  38  -1.139  -0.044 -11.608
  234   1HB   PHE  38          2HB       PHE  38  -0.822  -1.483 -14.207
  235   2HB   PHE  38          1HB       PHE  38   0.518  -1.557 -13.064
  236    HD1  PHE  38           HD1      PHE  38  -2.007  -3.491 -14.100
  237    HD2  PHE  38           HD2      PHE  38  -0.721  -1.611 -10.459
  238    HE1  PHE  38           HE1      PHE  38  -3.222  -5.207 -12.786
  239    HE2  PHE  38           HE2      PHE  38  -1.936  -3.328  -9.144
  240    HZ   PHE  38           HZ       PHE  38  -3.187  -5.125 -10.309
  241    H    SER  39           H        SER  39   0.418   1.394 -10.955
  242    HA   SER  39           HA       SER  39   1.676   3.300 -12.585
  243   1HB   SER  39          2HB       SER  39   2.392   2.067  -9.971
  244   2HB   SER  39          1HB       SER  39   3.561   3.112 -10.761
  245    HG   SER  39           HG       SER  39   0.884   3.926 -10.539
  246    H    ARG  40           H        ARG  40   4.117   3.316 -13.092
  247    HA   ARG  40           HA       ARG  40   4.706   0.872 -14.564
  248   1HB   ARG  40          2HB       ARG  40   5.861   3.610 -14.445
  249   2HB   ARG  40          1HB       ARG  40   6.829   2.309 -15.130
  250   1HG   ARG  40          2HG       ARG  40   4.794   1.750 -16.572
  251   2HG   ARG  40          1HG       ARG  40   4.122   3.295 -16.050
  252   1HD   ARG  40          2HD       ARG  40   6.519   4.184 -16.795
  253   2HD   ARG  40          1HD       ARG  40   6.469   2.749 -17.819
  254    HE   ARG  40           HE       ARG  40   4.135   3.747 -18.521
  255   1HH1  ARG  40          1HH2      ARG  40   5.691   6.091 -16.843
  256   2HH1  ARG  40          2HH2      ARG  40   5.890   7.201 -18.157
  257   1HH2  ARG  40          1HH1      ARG  40   4.944   4.909 -20.583
  258   2HH2  ARG  40          2HH1      ARG  40   5.468   6.531 -20.277
  259    H    ALA  41           H        ALA  41   6.496  -0.489 -14.162
  260    HA   ALA  41           HA       ALA  41   7.223  -1.000 -11.504
  261   1HB   ALA  41          1HB       ALA  41   7.620  -2.471 -13.562
  262   2HB   ALA  41          2HB       ALA  41   8.921  -2.446 -12.373
  263   3HB   ALA  41          3HB       ALA  41   9.061  -1.501 -13.856
  264    H    GLY  42           H        GLY  42   9.877  -0.964 -11.053
  265   1HA   GLY  42          2HA       GLY  42  11.528   0.516 -10.252
  266   2HA   GLY  42          1HA       GLY  42  11.359   1.304 -11.824
  267    H    LYS  43           H        LYS  43   8.567   0.979  -9.795
  268    HA   LYS  43           HA       LYS  43   8.402   3.911  -9.584
  269   1HB   LYS  43          2HB       LYS  43   6.339   2.938 -10.220
  270   2HB   LYS  43          1HB       LYS  43   6.488   1.651  -9.029
  271   1HG   LYS  43          2HG       LYS  43   4.862   3.233  -8.192
  272   2HG   LYS  43          1HG       LYS  43   6.322   3.411  -7.224
  273   1HD   LYS  43          2HD       LYS  43   7.017   5.332  -8.597
  274   2HD   LYS  43          1HD       LYS  43   5.579   5.144  -9.600
  275   1HE   LYS  43          2HE       LYS  43   5.551   5.703  -6.619
  276   2HE   LYS  43          1HE       LYS  43   5.284   6.910  -7.878
  277   1HZ   LYS  43          1HZ       LYS  43   3.633   4.650  -8.305
  278   2HZ   LYS  43          2HZ       LYS  43   3.188   6.273  -8.070
  279   3HZ   LYS  43          3HZ       LYS  43   3.401   5.245  -6.734
  280    H    ILE  44           H        ILE  44   8.794   5.020  -7.674
  281    HA   ILE  44           HA       ILE  44   9.936   3.490  -5.484
  282    HB   ILE  44           HB       ILE  44   9.761   6.299  -6.269
  283   1HG1  ILE  44          2HG1      ILE  44  11.793   4.862  -6.323
  284   2HG1  ILE  44          1HG1      ILE  44  12.014   6.302  -5.324
  285   1HG2  ILE  44          1HG2      ILE  44  10.294   6.982  -3.826
  286   2HG2  ILE  44          2HG2      ILE  44   9.472   5.486  -3.381
  287   3HG2  ILE  44          3HG2      ILE  44   8.600   6.743  -4.258
  288   1HD1  ILE  44          1HD1      ILE  44  10.880   4.201  -3.718
  289   2HD1  ILE  44          2HD1      ILE  44  12.422   5.032  -3.512
  290   3HD1  ILE  44          3HD1      ILE  44  12.322   3.595  -4.532
  291    H    CYS  45           H        CYS  45   8.449   2.264  -4.418
  292    HA   CYS  45           HA       CYS  45   5.870   3.449  -3.590
  293   1HB   CYS  45          2HB       CYS  45   5.511   1.145  -2.591
  294   2HB   CYS  45          1HB       CYS  45   5.737   1.162  -4.339
  295    H    ARG  46           H        ARG  46   9.009   3.385  -2.481
  296    HA   ARG  46           HA       ARG  46   8.150   4.189   0.223
  297   1HB   ARG  46          2HB       ARG  46   9.893   1.794  -0.363
  298   2HB   ARG  46          1HB       ARG  46  10.025   2.667   1.165
  299   1HG   ARG  46          2HG       ARG  46   7.262   2.292   0.737
  300   2HG   ARG  46          1HG       ARG  46   8.021   0.752   0.339
  301   1HD   ARG  46          2HD       ARG  46   8.889   0.471   2.484
  302   2HD   ARG  46          1HD       ARG  46   8.858   2.200   2.832
  303    HE   ARG  46           HE       ARG  46   6.231   1.770   2.699
  304   1HH1  ARG  46          1HH2      ARG  46   7.984  -1.028   3.157
  305   2HH1  ARG  46          2HH2      ARG  46   7.289  -1.436   4.690
  306   1HH2  ARG  46          1HH1      ARG  46   5.632   1.590   5.043
  307   2HH2  ARG  46          2HH1      ARG  46   5.956   0.046   5.758
  308    H    ILE  47           H        ILE  47  10.091   5.112   1.441
  309    HA   ILE  47           HA       ILE  47  12.074   6.215  -0.511
  310    HB   ILE  47           HB       ILE  47  10.434   7.914   0.267
  311   1HG1  ILE  47          2HG1      ILE  47  12.719   8.948   1.709
  312   2HG1  ILE  47          1HG1      ILE  47  13.255   8.062   0.280
  313   1HG2  ILE  47          1HG2      ILE  47  11.622   7.858   3.000
  314   2HG2  ILE  47          2HG2      ILE  47  10.427   6.617   2.620
  315   3HG2  ILE  47          3HG2      ILE  47   9.999   8.323   2.488
  316   1HD1  ILE  47          1HD1      ILE  47  10.938   9.663  -0.364
  317   2HD1  ILE  47          2HD1      ILE  47  12.551   9.713  -1.077
  318   3HD1  ILE  47          3HD1      ILE  47  12.190  10.674   0.358
  319    H    ALA  48           H        ALA  48  13.975   5.200  -0.072
  320    HA   ALA  48           HA       ALA  48  14.640   4.028   2.448
  321   1HB   ALA  48          1HB       ALA  48  16.320   3.144   1.243
  322   2HB   ALA  48          2HB       ALA  48  16.984   4.744   0.911
  323   3HB   ALA  48          3HB       ALA  48  15.739   4.071  -0.139
  324    H    ARG  49           H        ARG  49  15.261   5.053   4.274
  325    HA   ARG  49           HA       ARG  49  16.455   7.772   4.034
  326   1HB   ARG  49          2HB       ARG  49  14.887   6.622   6.302
  327   2HB   ARG  49          1HB       ARG  49  15.419   8.295   6.155
  328   1HG   ARG  49          2HG       ARG  49  13.825   7.218   3.890
  329   2HG   ARG  49          1HG       ARG  49  12.951   7.462   5.402
  330   1HD   ARG  49          2HD       ARG  49  14.632   9.552   3.989
  331   2HD   ARG  49          1HD       ARG  49  12.871   9.491   3.998
  332    HE   ARG  49           HE       ARG  49  14.551  10.032   6.408
  333   1HH1  ARG  49          1HH1      ARG  49  11.559   8.906   6.240
  334   2HH1  ARG  49          2HH1      ARG  49  10.719  10.343   6.721
  335   1HH2  ARG  49          1HH2      ARG  49  13.490  12.398   6.352
  336   2HH2  ARG  49          2HH2      ARG  49  11.814  12.323   6.785
  337    H    GLY  50           H        GLY  50  16.772   4.610   5.354
  338   1HA   GLY  50          2HA       GLY  50  18.842   5.356   7.268
  339   2HA   GLY  50          1HA       GLY  50  18.298   3.718   6.930
  340    H    ASP  51           H        ASP  51  19.648   6.258   4.797
  341    HA   ASP  51           HA       ASP  51  21.345   6.069   3.180
  342   1HB   ASP  51          2HB       ASP  51  22.363   5.467   5.766
  343   2HB   ASP  51          1HB       ASP  51  23.144   4.384   4.616
  344    H    TRP  52           H        TRP  52  20.441   4.767   1.561
  345    HA   TRP  52           HA       TRP  52  21.634   2.379   0.842
  346   1HB   TRP  52          2HB       TRP  52  19.767   0.717   1.486
  347   2HB   TRP  52          1HB       TRP  52  20.906   1.185   2.743
  348    HD1  TRP  52           HD1      TRP  52  18.248   3.709   1.767
  349    HE1  TRP  52           HE1      TRP  52  16.546   3.913   3.662
  350    HE3  TRP  52           HE3      TRP  52  19.745  -0.164   4.729
  351    HZ2  TRP  52           HZ2      TRP  52  15.889   2.637   6.127
  352    HZ3  TRP  52           HZ3      TRP  52  18.560  -0.646   6.854
  353    HH2  TRP  52           HH2      TRP  52  16.634   0.755   7.555
  354    H    ASN  53           H        ASN  53  19.902   0.925  -0.516
  355    HA   ASN  53           HA       ASN  53  18.876   2.748  -2.520
  356   1HB   ASN  53          2HB       ASN  53  19.233  -0.148  -2.207
  357   2HB   ASN  53          1HB       ASN  53  17.780   0.283  -3.108
  358   1HD2  ASN  53          1HD2      ASN  53  19.345  -0.849  -4.838
  359   2HD2  ASN  53          2HD2      ASN  53  20.314   0.222  -5.729
  360    H    ASP  54           H        ASP  54  16.543   2.411  -3.342
  361    HA   ASP  54           HA       ASP  54  14.718   2.496  -0.985
  362   1HB   ASP  54          2HB       ASP  54  14.021   3.506  -3.707
  363   2HB   ASP  54          1HB       ASP  54  13.368   4.005  -2.155
  364    H    ASP  55           H        ASP  55  12.308   2.014  -1.999
  365    HA   ASP  55           HA       ASP  55  12.542  -0.752  -3.067
  366   1HB   ASP  55          2HB       ASP  55  11.261  -0.151  -0.891
  367   2HB   ASP  55          1HB       ASP  55  10.032   0.462  -1.991
  368    H    ARG  56           H        ARG  56  11.472  -1.335  -4.982
  369    HA   ARG  56           HA       ARG  56  10.116   0.883  -6.432
  370   1HB   ARG  56          2HB       ARG  56  11.806  -1.253  -7.690
  371   2HB   ARG  56          1HB       ARG  56  11.112   0.149  -8.489
  372   1HG   ARG  56          2HG       ARG  56  12.752   0.822  -6.147
  373   2HG   ARG  56          1HG       ARG  56  13.660   0.036  -7.439
  374   1HD   ARG  56          2HD       ARG  56  12.551   1.691  -9.038
  375   2HD   ARG  56          1HD       ARG  56  12.015   2.569  -7.606
  376    HE   ARG  56           HE       ARG  56  14.196   3.427  -7.470
  377   1HH1  ARG  56          1HH1      ARG  56  14.390   1.736 -10.218
  378   2HH1  ARG  56          2HH1      ARG  56  15.989   1.107  -9.998
  379   1HH2  ARG  56          1HH2      ARG  56  16.175   2.009  -6.657
  380   2HH2  ARG  56          2HH2      ARG  56  16.998   1.261  -7.985
  381    H    CYS  57           H        CYS  57   8.351   0.227  -7.796
  382    HA   CYS  57           HA       CYS  57   7.206  -2.410  -7.033
  383   1HB   CYS  57          2HB       CYS  57   6.033   0.143  -8.135
  384   2HB   CYS  57          1HB       CYS  57   5.156  -1.374  -8.274
  385    H    THR  58           H        THR  58   5.984  -3.496  -8.903
  386    HA   THR  58           HA       THR  58   7.801  -3.593 -11.236
  387    HB   THR  58           HB       THR  58   6.879  -5.704 -11.699
  388    HG1  THR  58           HG1      THR  58   4.660  -4.881 -10.138
  389   1HG2  THR  58          1HG2      THR  58   7.270  -6.861  -9.751
  390   2HG2  THR  58          2HG2      THR  58   6.253  -5.791  -8.786
  391   3HG2  THR  58          3HG2      THR  58   7.877  -5.282  -9.251
  392    H    GLY  59           H        GLY  59   6.252  -4.221 -13.330
  393   1HA   GLY  59          2HA       GLY  59   4.721  -1.731 -13.749
  394   2HA   GLY  59          1HA       GLY  59   5.192  -2.876 -15.003
  395    H    GLN  60           H        GLN  60   3.785  -4.190 -12.122
  396    HA   GLN  60           HA       GLN  60   1.039  -4.118 -13.146
  397   1HB   GLN  60          2HB       GLN  60   0.802  -6.467 -13.570
  398   2HB   GLN  60          1HB       GLN  60   2.235  -5.944 -14.457
  399   1HG   GLN  60          2HG       GLN  60   3.485  -6.589 -12.225
  400   2HG   GLN  60          1HG       GLN  60   2.055  -7.585 -11.951
  401   1HE2  GLN  60          1HE2      GLN  60   4.692  -7.003 -14.305
  402   2HE2  GLN  60          2HE2      GLN  60   4.620  -8.548 -15.006
  403    H    SER  61           H        SER  61   2.822  -3.712 -10.604
  404    HA   SER  61           HA       SER  61   1.059  -5.321  -8.793
  405   1HB   SER  61          2HB       SER  61   3.307  -6.101  -8.492
  406   2HB   SER  61          1HB       SER  61   3.940  -4.458  -8.456
  407    HG   SER  61           HG       SER  61   3.140  -5.915  -6.425
  408    H    ALA  62           H        ALA  62  -0.302  -4.095  -7.587
  409    HA   ALA  62           HA       ALA  62   0.035  -1.176  -7.541
  410   1HB   ALA  62          1HB       ALA  62  -2.085  -3.013  -6.395
  411   2HB   ALA  62          2HB       ALA  62  -2.214  -2.018  -7.845
  412   3HB   ALA  62          3HB       ALA  62  -2.132  -1.254  -6.258
  413    H    ASP  63           H        ASP  63   0.224  -3.887  -5.250
  414    HA   ASP  63           HA       ASP  63   0.717  -2.083  -2.993
  415   1HB   ASP  63          2HB       ASP  63   1.403  -4.958  -2.811
  416   2HB   ASP  63          1HB       ASP  63   0.571  -3.932  -1.651
  417    H    CYS  64           H        CYS  64   2.764  -2.640  -1.627
  418    HA   CYS  64           HA       CYS  64   5.104  -3.021  -3.439
  419   1HB   CYS  64          2HB       CYS  64   4.959  -0.640  -3.120
  420   2HB   CYS  64          1HB       CYS  64   4.685  -0.831  -1.390
  421    HA   PRO  65           HA       PRO  65   6.079  -5.852  -0.221
  422   1HB   PRO  65          2HB       PRO  65   8.358  -6.756  -1.438
  423   2HB   PRO  65          1HB       PRO  65   6.741  -7.298  -1.889
  424   1HG   PRO  65          2HG       PRO  65   8.601  -5.473  -3.323
  425   2HG   PRO  65          1HG       PRO  65   7.277  -6.460  -3.969
  426   1HD   PRO  65          2HD       PRO  65   7.203  -3.671  -3.473
  427   2HD   PRO  65          1HD       PRO  65   5.814  -4.714  -3.846
  428    H    ARG  66           H        ARG  66   8.727  -6.442   0.463
  429    HA   ARG  66           HA       ARG  66   9.650  -3.828   1.504
  430   1HB   ARG  66          2HB       ARG  66  10.808  -5.165   3.254
  431   2HB   ARG  66          1HB       ARG  66   9.065  -5.436   3.249
  432   1HG   ARG  66          2HG       ARG  66  10.085  -7.304   1.421
  433   2HG   ARG  66          1HG       ARG  66  11.213  -7.333   2.778
  434   1HD   ARG  66          2HD       ARG  66   9.294  -7.603   4.337
  435   2HD   ARG  66          1HD       ARG  66   8.201  -7.652   2.953
  436    HE   ARG  66           HE       ARG  66  10.186  -9.757   3.652
  437   1HH1  ARG  66          1HH1      ARG  66   9.822  -9.513   0.698
  438   2HH1  ARG  66          2HH1      ARG  66   8.500 -10.591   0.398
  439   1HH2  ARG  66          1HH2      ARG  66   7.517 -10.732   3.721
  440   2HH2  ARG  66          2HH2      ARG  66   7.195 -11.281   2.110
  441    H    TYR  67           H        TYR  67  11.748  -3.156   1.112
  442    HA   TYR  67           HA       TYR  67  13.912  -4.811   0.330
  443   1HB   TYR  67          2HB       TYR  67  12.050  -4.502  -1.743
  444   2HB   TYR  67          1HB       TYR  67  13.363  -3.388  -2.125
  445    HD1  TYR  67           HD1      TYR  67  12.275  -6.713  -2.443
  446    HD2  TYR  67           HD2      TYR  67  15.808  -4.391  -1.680
  447    HE1  TYR  67           HE1      TYR  67  13.686  -8.621  -3.165
  448    HE2  TYR  67           HE2      TYR  67  17.218  -6.299  -2.404
  449    HH   TYR  67           HH       TYR  67  17.120  -8.652  -2.692
  450    H    HIS  68           HN       HIS  68  14.246  -2.995   2.061
  451    HA   HIS  68           HA       HIS  68  15.476  -0.677   0.641
  452   1HB   HIS  68          2HB       HIS  68  14.754   0.742   2.612
  453   2HB   HIS  68          1HB       HIS  68  13.432   0.197   1.578
  454    HD1  HIS  68           HD1      HIS  68  11.770  -1.511   2.553
  455    HD2  HIS  68           HD2      HIS  68  14.871  -0.564   5.172
  456    HE1  HIS  68           HE1      HIS  68  11.132  -2.486   4.802
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1 -12.629 -12.045   3.569
    2   2H    GLY   1          2HT       GLY   1 -12.884 -13.563   2.851
    3   3H    GLY   1          3HT       GLY   1 -14.209 -12.612   3.330
    4   1HA   GLY   1          1HA       GLY   1 -12.279 -11.958   1.170
    5   2HA   GLY   1          2HA       GLY   1 -13.942 -12.499   0.945
    6    H    LYS   2           H        LYS   2 -14.364 -10.455  -0.166
    7    HA   LYS   2           HA       LYS   2 -15.533  -8.465   1.513
    8   1HB   LYS   2          2HB       LYS   2 -13.995  -6.606   1.211
    9   2HB   LYS   2          1HB       LYS   2 -13.117  -7.946   1.949
   10   1HG   LYS   2          2HG       LYS   2 -12.246  -8.607  -0.257
   11   2HG   LYS   2          1HG       LYS   2 -13.136  -7.284  -1.010
   12   1HD   LYS   2          2HD       LYS   2 -11.839  -5.834   0.799
   13   2HD   LYS   2          1HD       LYS   2 -10.703  -7.182   0.728
   14   1HE   LYS   2          2HE       LYS   2 -10.128  -6.768  -1.473
   15   2HE   LYS   2          1HE       LYS   2 -11.694  -6.048  -1.855
   16   1HZ   LYS   2          1HZ       LYS   2 -10.409  -4.512   0.124
   17   2HZ   LYS   2          2HZ       LYS   2 -10.871  -4.053  -1.445
   18   3HZ   LYS   2          3HZ       LYS   2  -9.341  -4.738  -1.173
   19    H    GLU   3           H        GLU   3 -16.822  -7.085   0.273
   20    HA   GLU   3           HA       GLU   3 -16.623  -7.469  -2.692
   21   1HB   GLU   3          2HB       GLU   3 -19.152  -6.661  -2.435
   22   2HB   GLU   3          1HB       GLU   3 -18.710  -8.356  -2.226
   23   1HG   GLU   3          2HG       GLU   3 -18.571  -8.046   0.203
   24   2HG   GLU   3          1HG       GLU   3 -18.944  -6.331   0.021
   25    H    CYS   4           H        CYS   4 -15.054  -5.616  -2.495
   26    HA   CYS   4           HA       CYS   4 -16.202  -3.208  -3.383
   27   1HB   CYS   4          2HB       CYS   4 -16.896  -3.162  -0.912
   28   2HB   CYS   4          1HB       CYS   4 -15.204  -2.832  -0.612
   29    H    ASP   5           H        ASP   5 -14.403  -4.125  -4.701
   30    HA   ASP   5           HA       ASP   5 -11.732  -4.277  -4.228
   31   1HB   ASP   5          2HB       ASP   5 -12.967  -4.321  -6.478
   32   2HB   ASP   5          1HB       ASP   5 -12.737  -2.573  -6.508
   33    H    CYS   6           H        CYS   6 -13.625  -1.306  -4.079
   34    HA   CYS   6           HA       CYS   6 -11.095   0.164  -3.437
   35   1HB   CYS   6          2HB       CYS   6 -13.648   0.955  -4.746
   36   2HB   CYS   6          1HB       CYS   6 -12.862   2.161  -3.732
   37    H    SER   7           H        SER   7 -11.381   1.885  -1.723
   38    HA   SER   7           HA       SER   7 -13.082   0.790   0.469
   39   1HB   SER   7          2HB       SER   7 -11.410   2.606   1.664
   40   2HB   SER   7          1HB       SER   7 -11.068   0.883   1.521
   41    HG   SER   7           HG       SER   7  -9.932   1.319  -0.376
   42    H    SER   8           H        SER   8 -13.367   3.043  -1.839
   43    HA   SER   8           HA       SER   8 -14.941   4.830  -0.052
   44   1HB   SER   8          2HB       SER   8 -12.586   5.550  -1.502
   45   2HB   SER   8          1HB       SER   8 -13.961   6.382  -2.220
   46    HG   SER   8           HG       SER   8 -12.748   7.220  -0.194
   47    HA   PRO   9           HA       PRO   9 -17.978   4.074  -3.170
   48   1HB   PRO   9          2HB       PRO   9 -19.815   5.914  -2.290
   49   2HB   PRO   9          1HB       PRO   9 -19.537   4.356  -1.493
   50   1HG   PRO   9          2HG       PRO   9 -18.715   7.082  -0.616
   51   2HG   PRO   9          1HG       PRO   9 -19.003   5.630   0.357
   52   1HD   PRO   9          2HD       PRO   9 -16.468   6.663  -0.406
   53   2HD   PRO   9          1HD       PRO   9 -16.782   5.073   0.326
   54    H    GLU  10           H        GLU  10 -15.916   6.588  -3.208
   55    HA   GLU  10           HA       GLU  10 -17.330   7.903  -5.492
   56   1HB   GLU  10          2HB       GLU  10 -15.399   9.404  -3.735
   57   2HB   GLU  10          1HB       GLU  10 -16.679  10.038  -4.770
   58   1HG   GLU  10          2HG       GLU  10 -17.942  10.159  -2.899
   59   2HG   GLU  10          1HG       GLU  10 -18.045   8.401  -2.990
   60    H    ASN  11           H        ASN  11 -15.011   5.825  -4.910
   61    HA   ASN  11           HA       ASN  11 -12.718   7.069  -6.172
   62   1HB   ASN  11          2HB       ASN  11 -13.157   4.776  -4.650
   63   2HB   ASN  11          1HB       ASN  11 -12.748   4.158  -6.249
   64   1HD2  ASN  11          1HD2      ASN  11 -10.938   3.825  -4.074
   65   2HD2  ASN  11          2HD2      ASN  11  -9.566   4.784  -4.353
   66    HA   PRO  12           HA       PRO  12 -14.248   6.306 -10.287
   67   1HB   PRO  12          2HB       PRO  12 -12.045   7.312 -11.585
   68   2HB   PRO  12          1HB       PRO  12 -13.309   8.330 -10.871
   69   1HG   PRO  12          2HG       PRO  12 -10.547   7.803  -9.885
   70   2HG   PRO  12          1HG       PRO  12 -11.594   9.202  -9.596
   71   1HD   PRO  12          2HD       PRO  12 -11.118   7.068  -7.788
   72   2HD   PRO  12          1HD       PRO  12 -12.376   8.313  -7.635
   73    H    CYS  13           H        CYS  13 -12.045   4.546  -8.649
   74    HA   CYS  13           HA       CYS  13 -11.004   3.063 -11.018
   75   1HB   CYS  13          2HB       CYS  13 -10.234   2.822  -8.101
   76   2HB   CYS  13          1HB       CYS  13  -9.425   2.048  -9.461
   77    H    CYS  14           H        CYS  14 -13.326   2.871  -8.483
   78    HA   CYS  14           HA       CYS  14 -13.875   0.071  -9.339
   79   1HB   CYS  14          2HB       CYS  14 -14.124   0.989  -6.481
   80   2HB   CYS  14          1HB       CYS  14 -14.160  -0.660  -7.092
   81    H    ASP  15           H        ASP  15 -15.945  -0.101 -10.009
   82    HA   ASP  15           HA       ASP  15 -17.874   1.831 -10.183
   83   1HB   ASP  15          2HB       ASP  15 -17.922  -0.663 -10.910
   84   2HB   ASP  15          1HB       ASP  15 -18.682  -0.919  -9.348
   85    H    ALA  16           H        ALA  16 -18.932   3.073  -8.720
   86    HA   ALA  16           HA       ALA  16 -18.775   2.396  -5.878
   87   1HB   ALA  16          1HB       ALA  16 -19.164   4.619  -5.481
   88   2HB   ALA  16          2HB       ALA  16 -20.335   4.752  -6.791
   89   3HB   ALA  16          3HB       ALA  16 -18.608   4.763  -7.148
   90    H    ALA  17           H        ALA  17 -20.752   1.356  -8.222
   91    HA   ALA  17           HA       ALA  17 -23.228   1.579  -6.573
   92   1HB   ALA  17          1HB       ALA  17 -23.437   2.305  -8.930
   93   2HB   ALA  17          2HB       ALA  17 -24.421   0.874  -8.617
   94   3HB   ALA  17          3HB       ALA  17 -22.882   0.719  -9.464
   95    H    THR  18           H        THR  18 -20.681  -0.495  -7.346
   96    HA   THR  18           HA       THR  18 -22.190  -2.792  -6.222
   97    HB   THR  18           HB       THR  18 -20.958  -2.550  -8.877
   98    HG1  THR  18           HG1      THR  18 -22.417  -4.431  -9.089
   99   1HG2  THR  18          1HG2      THR  18 -19.238  -3.964  -7.893
  100   2HG2  THR  18          2HG2      THR  18 -20.260  -4.943  -8.944
  101   3HG2  THR  18          3HG2      THR  18 -20.468  -5.018  -7.194
  102    H    CYS  19           H        CYS  19 -19.707  -0.721  -5.801
  103    HA   CYS  19           HA       CYS  19 -17.648  -0.824  -4.662
  104   1HB   CYS  19          2HB       CYS  19 -19.565  -2.480  -3.283
  105   2HB   CYS  19          1HB       CYS  19 -17.943  -3.078  -3.048
  106    H    LYS  20           H        LYS  20 -16.586  -1.454  -6.676
  107    HA   LYS  20           HA       LYS  20 -14.853  -3.692  -6.387
  108   1HB   LYS  20          2HB       LYS  20 -17.349  -4.175  -7.961
  109   2HB   LYS  20          1HB       LYS  20 -15.831  -4.827  -8.582
  110   1HG   LYS  20          2HG       LYS  20 -15.720  -5.473  -5.890
  111   2HG   LYS  20          1HG       LYS  20 -17.424  -5.704  -6.281
  112   1HD   LYS  20          2HD       LYS  20 -15.316  -6.793  -8.128
  113   2HD   LYS  20          1HD       LYS  20 -15.740  -7.680  -6.663
  114   1HE   LYS  20          2HE       LYS  20 -18.215  -7.226  -7.514
  115   2HE   LYS  20          1HE       LYS  20 -17.411  -7.104  -9.078
  116   1HZ   LYS  20          1HZ       LYS  20 -18.138  -9.411  -7.783
  117   2HZ   LYS  20          2HZ       LYS  20 -16.452  -9.328  -7.586
  118   3HZ   LYS  20          3HZ       LYS  20 -17.131  -9.289  -9.142
  119    H    LEU  21           H        LEU  21 -13.325  -3.785  -8.231
  120    HA   LEU  21           HA       LEU  21 -12.635  -1.293  -9.279
  121   1HB   LEU  21          2HB       LEU  21 -12.036  -4.074 -10.067
  122   2HB   LEU  21          1HB       LEU  21 -11.879  -2.884 -11.357
  123    HG   LEU  21           HG       LEU  21 -10.547  -2.637  -8.644
  124   1HD1  LEU  21          1HD1      LEU  21  -9.506  -3.550 -11.326
  125   2HD1  LEU  21          2HD1      LEU  21  -9.487  -4.448  -9.809
  126   3HD1  LEU  21          3HD1      LEU  21  -8.454  -3.032 -10.009
  127   1HD2  LEU  21          1HD2      LEU  21 -10.843  -0.881 -10.984
  128   2HD2  LEU  21          2HD2      LEU  21  -9.204  -1.017 -10.345
  129   3HD2  LEU  21          3HD2      LEU  21 -10.517  -0.476  -9.299
  130    H    ARG  22           H        ARG  22 -12.566  -0.880 -11.708
  131    HA   ARG  22           HA       ARG  22 -15.260  -1.369 -12.884
  132   1HB   ARG  22          2HB       ARG  22 -13.907   1.108 -12.320
  133   2HB   ARG  22          1HB       ARG  22 -14.026   0.919 -14.070
  134   1HG   ARG  22          2HG       ARG  22 -16.522   0.101 -13.164
  135   2HG   ARG  22          1HG       ARG  22 -16.133   1.466 -12.118
  136   1HD   ARG  22          2HD       ARG  22 -16.524   2.917 -13.791
  137   2HD   ARG  22          1HD       ARG  22 -15.375   2.078 -14.833
  138    HE   ARG  22           HE       ARG  22 -18.181   1.085 -14.561
  139   1HH1  ARG  22          1HH1      ARG  22 -16.487   3.205 -16.463
  140   2HH1  ARG  22          2HH1      ARG  22 -16.727   2.365 -17.959
  141   1HH2  ARG  22          1HH2      ARG  22 -18.071  -0.459 -16.460
  142   2HH2  ARG  22          2HH2      ARG  22 -17.624   0.289 -17.957
  143    HA   PRO  23           HA       PRO  23 -12.980  -3.317 -16.129
  144   1HB   PRO  23          2HB       PRO  23 -14.824  -2.938 -18.153
  145   2HB   PRO  23          1HB       PRO  23 -14.980  -4.173 -16.889
  146   1HG   PRO  23          2HG       PRO  23 -16.361  -1.510 -17.106
  147   2HG   PRO  23          1HG       PRO  23 -16.977  -3.043 -16.459
  148   1HD   PRO  23          2HD       PRO  23 -16.083  -0.977 -14.835
  149   2HD   PRO  23          1HD       PRO  23 -16.059  -2.682 -14.363
  150    H    GLY  24           H        GLY  24 -11.565  -1.247 -15.864
  151   1HA   GLY  24          2HA       GLY  24 -10.776  -0.253 -18.373
  152   2HA   GLY  24          1HA       GLY  24 -11.786   0.983 -17.614
  153    H    ALA  25           H        ALA  25  -9.767  -1.281 -15.820
  154    HA   ALA  25           HA       ALA  25  -7.553   0.530 -15.429
  155   1HB   ALA  25          1HB       ALA  25  -9.870   0.588 -13.581
  156   2HB   ALA  25          2HB       ALA  25  -8.651   1.824 -13.890
  157   3HB   ALA  25          3HB       ALA  25  -8.289   0.480 -12.809
  158    H    GLN  26           H        GLN  26  -6.344  -0.386 -13.235
  159    HA   GLN  26           HA       GLN  26  -6.651  -3.356 -13.312
  160   1HB   GLN  26          2HB       GLN  26  -4.502  -1.879 -14.374
  161   2HB   GLN  26          1HB       GLN  26  -3.904  -2.554 -12.858
  162   1HG   GLN  26          2HG       GLN  26  -3.503  -4.383 -14.176
  163   2HG   GLN  26          1HG       GLN  26  -5.199  -4.714 -13.833
  164   1HE2  GLN  26          1HE2      GLN  26  -2.937  -3.975 -16.352
  165   2HE2  GLN  26          2HE2      GLN  26  -4.064  -3.829 -17.613
  166    H    CYS  27           H        CYS  27  -7.087  -0.863 -11.342
  167    HA   CYS  27           HA       CYS  27  -6.914  -2.393  -8.977
  168   1HB   CYS  27          2HB       CYS  27  -4.659  -2.408  -8.708
  169   2HB   CYS  27          1HB       CYS  27  -4.429  -1.042  -9.780
  170    H    GLY  28           H        GLY  28  -7.362  -1.045  -7.016
  171   1HA   GLY  28          2HA       GLY  28  -8.866   1.390  -7.824
  172   2HA   GLY  28          1HA       GLY  28  -9.196   0.435  -6.383
  173    H    GLU  29           H        GLU  29  -6.352   0.205  -5.684
  174    HA   GLU  29           HA       GLU  29  -5.188   2.814  -5.420
  175   1HB   GLU  29          2HB       GLU  29  -5.664   3.168  -3.019
  176   2HB   GLU  29          1HB       GLU  29  -7.139   3.195  -3.985
  177   1HG   GLU  29          2HG       GLU  29  -7.920   1.670  -2.503
  178   2HG   GLU  29          1HG       GLU  29  -6.898   0.522  -3.370
  179    H    GLY  30           H        GLY  30  -3.083   2.592  -4.706
  180   1HA   GLY  30          2HA       GLY  30  -2.138   0.643  -2.866
  181   2HA   GLY  30          1HA       GLY  30  -1.912   0.010  -4.498
  182    H    LEU  31           H        LEU  31   0.363   0.484  -3.035
  183    HA   LEU  31           HA       LEU  31   1.448   3.114  -3.239
  184   1HB   LEU  31          2HB       LEU  31   2.427   0.444  -2.663
  185   2HB   LEU  31          1HB       LEU  31   3.618   1.425  -3.503
  186    HG   LEU  31           HG       LEU  31   3.634   1.578  -0.957
  187   1HD1  LEU  31          1HD1      LEU  31   3.053   4.237  -2.261
  188   2HD1  LEU  31          2HD1      LEU  31   4.499   3.315  -2.675
  189   3HD1  LEU  31          3HD1      LEU  31   4.247   3.861  -1.018
  190   1HD2  LEU  31          1HD2      LEU  31   1.068   1.645  -0.887
  191   2HD2  LEU  31          2HD2      LEU  31   1.205   3.329  -1.391
  192   3HD2  LEU  31          3HD2      LEU  31   1.908   2.806   0.140
  193    H    CYS  32           H        CYS  32   0.774   0.753  -5.600
  194    HA   CYS  32           HA       CYS  32   2.290   2.340  -7.625
  195   1HB   CYS  32          2HB       CYS  32   1.971  -0.421  -8.450
  196   2HB   CYS  32          1HB       CYS  32   3.447   0.525  -8.318
  197    H    CYS  33           H        CYS  33  -0.220   3.099  -7.285
  198    HA   CYS  33           HA       CYS  33  -1.675   1.801  -9.544
  199   1HB   CYS  33          2HB       CYS  33  -2.711   2.428  -6.782
  200   2HB   CYS  33          1HB       CYS  33  -3.800   2.299  -8.162
  201    H    GLU  34           H        GLU  34  -0.987   3.653 -10.830
  202    HA   GLU  34           HA       GLU  34  -1.481   6.370 -10.081
  203   1HB   GLU  34          2HB       GLU  34  -1.237   6.897 -12.438
  204   2HB   GLU  34          1HB       GLU  34  -0.056   5.655 -12.020
  205   1HG   GLU  34          2HG       GLU  34  -1.134   4.025 -13.233
  206   2HG   GLU  34          1HG       GLU  34  -2.729   4.725 -12.962
  207    H    GLN  35           H        GLN  35  -3.090   7.075 -12.454
  208    HA   GLN  35           HA       GLN  35  -5.648   7.198 -11.250
  209   1HB   GLN  35          2HB       GLN  35  -6.472   7.839 -13.495
  210   2HB   GLN  35          1HB       GLN  35  -4.971   8.677 -13.100
  211   1HG   GLN  35          2HG       GLN  35  -4.260   6.199 -14.306
  212   2HG   GLN  35          1HG       GLN  35  -5.503   6.938 -15.317
  213   1HE2  GLN  35          1HE2      GLN  35  -4.850   8.653 -16.654
  214   2HE2  GLN  35          2HE2      GLN  35  -3.340   9.421 -16.560
  215    H    CYS  36           H        CYS  36  -6.187   5.073 -10.515
  216    HA   CYS  36           HA       CYS  36  -6.989   2.876 -10.693
  217   1HB   CYS  36          2HB       CYS  36  -8.230   3.863 -13.269
  218   2HB   CYS  36          1HB       CYS  36  -8.861   2.651 -12.150
  219    H    LYS  37           H        LYS  37  -4.363   3.069 -11.711
  220    HA   LYS  37           HA       LYS  37  -4.420   0.812 -13.576
  221   1HB   LYS  37          2HB       LYS  37  -3.902   3.579 -14.501
  222   2HB   LYS  37          1HB       LYS  37  -2.760   2.360 -15.066
  223   1HG   LYS  37          2HG       LYS  37  -4.715   0.957 -15.795
  224   2HG   LYS  37          1HG       LYS  37  -5.774   2.305 -15.381
  225   1HD   LYS  37          2HD       LYS  37  -4.732   3.730 -17.017
  226   2HD   LYS  37          1HD       LYS  37  -3.462   2.543 -17.319
  227   1HE   LYS  37          2HE       LYS  37  -5.117   2.402 -19.103
  228   2HE   LYS  37          1HE       LYS  37  -5.209   0.944 -18.116
  229   1HZ   LYS  37          1HZ       LYS  37  -7.306   1.404 -17.646
  230   2HZ   LYS  37          2HZ       LYS  37  -7.242   2.757 -18.671
  231   3HZ   LYS  37          3HZ       LYS  37  -6.882   2.921 -17.019
  232    H    PHE  38           H        PHE  38  -2.612  -0.431 -13.280
  233    HA   PHE  38           HA       PHE  38  -0.805  -0.043 -11.179
  234   1HB   PHE  38          2HB       PHE  38  -0.409  -1.479 -13.817
  235   2HB   PHE  38          1HB       PHE  38   0.717  -1.606 -12.466
  236    HD1  PHE  38           HD1      PHE  38  -1.621  -1.417 -10.328
  237    HD2  PHE  38           HD2      PHE  38  -0.929  -3.856 -13.799
  238    HE1  PHE  38           HE1      PHE  38  -3.032  -3.208  -9.356
  239    HE2  PHE  38           HE2      PHE  38  -2.338  -5.644 -12.820
  240    HZ   PHE  38           HZ       PHE  38  -3.390  -5.320 -10.600
  241    H    SER  39           H        SER  39   0.759   1.485 -10.871
  242    HA   SER  39           HA       SER  39   1.438   3.431 -12.836
  243   1HB   SER  39          2HB       SER  39   2.268   2.758 -10.129
  244   2HB   SER  39          1HB       SER  39   3.593   3.391 -11.095
  245    HG   SER  39           HG       SER  39   2.709   5.254 -10.719
  246    H    ARG  40           H        ARG  40   4.187   3.617 -13.013
  247    HA   ARG  40           HA       ARG  40   4.784   1.282 -14.707
  248   1HB   ARG  40          2HB       ARG  40   5.394   4.087 -14.826
  249   2HB   ARG  40          1HB       ARG  40   6.871   3.129 -14.936
  250   1HG   ARG  40          2HG       ARG  40   6.067   1.920 -16.823
  251   2HG   ARG  40          1HG       ARG  40   4.417   2.495 -16.581
  252   1HD   ARG  40          2HD       ARG  40   6.558   4.538 -17.002
  253   2HD   ARG  40          1HD       ARG  40   6.012   3.611 -18.401
  254    HE   ARG  40           HE       ARG  40   4.087   5.126 -16.683
  255   1HH1  ARG  40          1HH1      ARG  40   3.260   3.313 -19.007
  256   2HH1  ARG  40          2HH1      ARG  40   3.009   4.481 -20.261
  257   1HH2  ARG  40          1HH2      ARG  40   4.693   7.018 -18.600
  258   2HH2  ARG  40          2HH2      ARG  40   3.821   6.579 -20.030
  259    H    ALA  41           H        ALA  41   6.187  -0.229 -14.078
  260    HA   ALA  41           HA       ALA  41   7.287  -0.578 -11.571
  261   1HB   ALA  41          1HB       ALA  41   7.342  -2.182 -13.575
  262   2HB   ALA  41          2HB       ALA  41   8.762  -2.192 -12.528
  263   3HB   ALA  41          3HB       ALA  41   8.810  -1.341 -14.071
  264    H    GLY  42           H        GLY  42   9.673  -0.493 -10.965
  265   1HA   GLY  42          2HA       GLY  42  11.656   0.718 -10.660
  266   2HA   GLY  42          1HA       GLY  42  11.345   1.498 -12.210
  267    H    LYS  43           H        LYS  43   8.795   1.562  -9.868
  268    HA   LYS  43           HA       LYS  43   9.327   4.465  -9.493
  269   1HB   LYS  43          2HB       LYS  43   7.002   4.758  -9.078
  270   2HB   LYS  43          1HB       LYS  43   7.077   3.614 -10.419
  271   1HG   LYS  43          2HG       LYS  43   7.077   1.797  -8.568
  272   2HG   LYS  43          1HG       LYS  43   6.472   3.077  -7.519
  273   1HD   LYS  43          2HD       LYS  43   4.525   2.020  -8.387
  274   2HD   LYS  43          1HD       LYS  43   4.698   3.506  -9.320
  275   1HE   LYS  43          2HE       LYS  43   5.108   2.388 -11.247
  276   2HE   LYS  43          1HE       LYS  43   6.168   1.225 -10.453
  277   1HZ   LYS  43          1HZ       LYS  43   3.979   0.379 -11.399
  278   2HZ   LYS  43          2HZ       LYS  43   3.237   1.153 -10.081
  279   3HZ   LYS  43          3HZ       LYS  43   4.372  -0.084  -9.818
  280    H    ILE  44           H        ILE  44   9.665   5.270  -7.399
  281    HA   ILE  44           HA       ILE  44  10.379   3.302  -5.376
  282    HB   ILE  44           HB       ILE  44  11.642   5.381  -5.587
  283   1HG1  ILE  44          2HG1      ILE  44  11.329   6.205  -3.166
  284   2HG1  ILE  44          1HG1      ILE  44  10.047   4.997  -3.045
  285   1HG2  ILE  44          1HG2      ILE  44   9.642   7.133  -4.403
  286   2HG2  ILE  44          2HG2      ILE  44   9.115   6.500  -5.962
  287   3HG2  ILE  44          3HG2      ILE  44  10.637   7.381  -5.837
  288   1HD1  ILE  44          1HD1      ILE  44  12.649   4.087  -4.173
  289   2HD1  ILE  44          2HD1      ILE  44  11.513   3.230  -3.130
  290   3HD1  ILE  44          3HD1      ILE  44  12.605   4.432  -2.444
  291    H    CYS  45           H        CYS  45   8.847   2.265  -4.309
  292    HA   CYS  45           HA       CYS  45   6.274   3.563  -3.656
  293   1HB   CYS  45          2HB       CYS  45   5.734   1.280  -2.734
  294   2HB   CYS  45          1HB       CYS  45   6.130   1.290  -4.452
  295    H    ARG  46           H        ARG  46   9.307   2.650  -2.156
  296    HA   ARG  46           HA       ARG  46   8.319   3.881   0.355
  297   1HB   ARG  46          2HB       ARG  46   8.804   1.094   0.013
  298   2HB   ARG  46          1HB       ARG  46  10.080   1.738   1.048
  299   1HG   ARG  46          2HG       ARG  46   8.585   1.587   2.736
  300   2HG   ARG  46          1HG       ARG  46   7.799   2.988   2.009
  301   1HD   ARG  46          2HD       ARG  46   6.555   1.306   0.514
  302   2HD   ARG  46          1HD       ARG  46   7.122   0.068   1.635
  303    HE   ARG  46           HE       ARG  46   5.794   2.310   2.956
  304   1HH1  ARG  46          1HH2      ARG  46   5.330  -0.598   1.161
  305   2HH1  ARG  46          2HH2      ARG  46   3.895  -1.052   2.018
  306   1HH2  ARG  46          1HH1      ARG  46   3.987   1.672   4.157
  307   2HH2  ARG  46          2HH1      ARG  46   3.137   0.231   3.713
  308    H    ILE  47           H        ILE  47  10.666   3.349   1.842
  309    HA   ILE  47           HA       ILE  47  12.884   4.473   0.237
  310    HB   ILE  47           HB       ILE  47  11.654   6.441   1.052
  311   1HG1  ILE  47          2HG1      ILE  47  14.197   5.933   2.628
  312   2HG1  ILE  47          1HG1      ILE  47  14.126   6.529   0.969
  313   1HG2  ILE  47          1HG2      ILE  47  12.223   6.092   3.879
  314   2HG2  ILE  47          2HG2      ILE  47  11.170   4.808   3.280
  315   3HG2  ILE  47          3HG2      ILE  47  10.698   6.498   3.091
  316   1HD1  ILE  47          1HD1      ILE  47  12.696   8.440   1.836
  317   2HD1  ILE  47          2HD1      ILE  47  14.376   8.458   2.373
  318   3HD1  ILE  47          3HD1      ILE  47  13.107   7.902   3.464
  319    H    ALA  48           H        ALA  48  14.928   4.473   1.553
  320    HA   ALA  48           HA       ALA  48  14.816   2.436   3.704
  321   1HB   ALA  48          1HB       ALA  48  15.793   1.321   1.842
  322   2HB   ALA  48          2HB       ALA  48  17.159   1.791   2.849
  323   3HB   ALA  48          3HB       ALA  48  16.760   2.730   1.409
  324    H    ARG  49           H        ARG  49  17.114   2.551   4.931
  325    HA   ARG  49           HA       ARG  49  17.232   5.026   6.313
  326   1HB   ARG  49          2HB       ARG  49  19.168   2.778   6.052
  327   2HB   ARG  49          1HB       ARG  49  19.478   4.149   7.108
  328   1HG   ARG  49          2HG       ARG  49  16.979   2.437   7.249
  329   2HG   ARG  49          1HG       ARG  49  18.390   2.202   8.281
  330   1HD   ARG  49          2HD       ARG  49  17.620   4.988   8.275
  331   2HD   ARG  49          1HD       ARG  49  16.243   3.979   8.720
  332    HE   ARG  49           HE       ARG  49  18.769   4.228  10.238
  333   1HH1  ARG  49          1HH2      ARG  49  17.082   1.518   9.691
  334   2HH1  ARG  49          2HH2      ARG  49  16.397   1.344  11.272
  335   1HH2  ARG  49          1HH1      ARG  49  17.305   4.530  12.301
  336   2HH2  ARG  49          2HH1      ARG  49  16.523   3.052  12.751
  337    H    GLY  50           H        GLY  50  20.235   3.946   4.920
  338   1HA   GLY  50          2HA       GLY  50  20.383   6.199   3.073
  339   2HA   GLY  50          1HA       GLY  50  21.502   6.270   4.430
  340    H    ASP  51           H        ASP  51  21.095   5.135   1.293
  341    HA   ASP  51           HA       ASP  51  22.683   4.032  -0.067
  342   1HB   ASP  51          2HB       ASP  51  24.153   4.521   2.251
  343   2HB   ASP  51          1HB       ASP  51  24.287   2.785   1.974
  344    H    TRP  52           H        TRP  52  21.455   2.403  -0.841
  345    HA   TRP  52           HA       TRP  52  21.893  -0.275  -0.291
  346   1HB   TRP  52          2HB       TRP  52  19.453  -0.632   0.836
  347   2HB   TRP  52          1HB       TRP  52  20.939  -0.526   1.764
  348    HD1  TRP  52           HD1      TRP  52  20.040   0.626   3.852
  349    HE1  TRP  52           HE1      TRP  52  19.016   2.920   4.323
  350    HE3  TRP  52           HE3      TRP  52  19.209   2.287  -0.909
  351    HZ2  TRP  52           HZ2      TRP  52  17.997   5.172   2.892
  352    HZ3  TRP  52           HZ3      TRP  52  18.219   4.510  -1.308
  353    HH2  TRP  52           HH2      TRP  52  17.616   5.947   0.622
  354    H    ASN  53           H        ASN  53  19.351  -1.443  -0.732
  355    HA   ASN  53           HA       ASN  53  18.764  -0.338  -3.432
  356   1HB   ASN  53          2HB       ASN  53  18.898  -3.016  -2.267
  357   2HB   ASN  53          1HB       ASN  53  17.408  -2.749  -3.172
  358   1HD2  ASN  53          1HD2      ASN  53  17.584  -2.351  -5.486
  359   2HD2  ASN  53          2HD2      ASN  53  19.035  -2.603  -6.327
  360    H    ASP  54           H        ASP  54  17.180   1.230  -3.087
  361    HA   ASP  54           HA       ASP  54  15.092   1.098  -1.144
  362   1HB   ASP  54          2HB       ASP  54  15.881   2.838  -3.267
  363   2HB   ASP  54          1HB       ASP  54  14.156   2.513  -3.425
  364    H    ASP  55           H        ASP  55  12.679   1.037  -1.895
  365    HA   ASP  55           HA       ASP  55  12.329  -1.489  -3.407
  366   1HB   ASP  55          2HB       ASP  55  10.107  -0.031  -2.056
  367   2HB   ASP  55          1HB       ASP  55  10.304  -1.761  -2.296
  368    H    ARG  56           H        ARG  56  11.362  -1.532  -5.410
  369    HA   ARG  56           HA       ARG  56  10.102   0.993  -6.360
  370   1HB   ARG  56          2HB       ARG  56  11.956  -0.777  -7.922
  371   2HB   ARG  56          1HB       ARG  56  11.124   0.631  -8.567
  372   1HG   ARG  56          2HG       ARG  56  12.385   1.518  -6.215
  373   2HG   ARG  56          1HG       ARG  56  13.579   0.508  -7.032
  374   1HD   ARG  56          2HD       ARG  56  13.164   1.788  -9.136
  375   2HD   ARG  56          1HD       ARG  56  12.071   2.844  -8.243
  376    HE   ARG  56           HE       ARG  56  14.162   3.316  -6.774
  377   1HH1  ARG  56          1HH1      ARG  56  13.930   4.732  -9.494
  378   2HH1  ARG  56          2HH1      ARG  56  15.543   4.535 -10.095
  379   1HH2  ARG  56          1HH2      ARG  56  16.380   2.068  -7.808
  380   2HH2  ARG  56          2HH2      ARG  56  16.929   3.027  -9.141
  381    H    CYS  57           H        CYS  57   7.953   0.492  -6.706
  382    HA   CYS  57           HA       CYS  57   6.882  -2.088  -6.950
  383   1HB   CYS  57          2HB       CYS  57   5.909   0.539  -8.077
  384   2HB   CYS  57          1HB       CYS  57   5.022  -0.956  -8.323
  385    H    THR  58           H        THR  58   6.300  -3.372  -8.756
  386    HA   THR  58           HA       THR  58   8.141  -3.094 -11.036
  387    HB   THR  58           HB       THR  58   7.524  -5.342 -11.593
  388    HG1  THR  58           HG1      THR  58   5.762  -6.315 -10.393
  389   1HG2  THR  58          1HG2      THR  58   7.793  -6.514  -9.387
  390   2HG2  THR  58          2HG2      THR  58   7.600  -4.953  -8.590
  391   3HG2  THR  58          3HG2      THR  58   8.975  -5.233  -9.657
  392    H    GLY  59           H        GLY  59   6.345  -4.465 -12.901
  393   1HA   GLY  59          1HA       GLY  59   4.606  -2.130 -13.573
  394   2HA   GLY  59          2HA       GLY  59   5.281  -3.247 -14.760
  395    H    GLN  60           H        GLN  60   4.250  -4.892 -11.991
  396    HA   GLN  60           HA       GLN  60   1.518  -5.325 -13.089
  397   1HB   GLN  60          2HB       GLN  60   3.610  -7.449 -12.577
  398   2HB   GLN  60          1HB       GLN  60   1.890  -7.818 -12.709
  399   1HG   GLN  60          2HG       GLN  60   2.457  -6.155 -14.905
  400   2HG   GLN  60          1HG       GLN  60   3.806  -7.289 -14.819
  401   1HE2  GLN  60          1HE2      GLN  60   0.518  -6.949 -15.780
  402   2HE2  GLN  60          2HE2      GLN  60   0.204  -8.587 -16.089
  403    H    SER  61           H        SER  61   3.299  -4.494 -10.458
  404    HA   SER  61           HA       SER  61   1.428  -5.879  -8.575
  405   1HB   SER  61          2HB       SER  61   4.244  -5.654  -8.530
  406   2HB   SER  61          1HB       SER  61   3.646  -4.618  -7.238
  407    HG   SER  61           HG       SER  61   2.954  -6.324  -6.200
  408    H    ALA  62           H        ALA  62  -0.053  -4.587  -7.583
  409    HA   ALA  62           HA       ALA  62   0.182  -1.660  -7.890
  410   1HB   ALA  62          1HB       ALA  62  -1.986  -3.588  -7.274
  411   2HB   ALA  62          2HB       ALA  62  -2.029  -2.116  -8.243
  412   3HB   ALA  62          3HB       ALA  62  -2.113  -2.016  -6.485
  413    H    ASP  63           H        ASP  63   1.186  -3.930  -5.648
  414    HA   ASP  63           HA       ASP  63   0.982  -1.947  -3.420
  415   1HB   ASP  63          2HB       ASP  63   1.467  -4.896  -3.136
  416   2HB   ASP  63          1HB       ASP  63   1.046  -3.755  -1.865
  417    H    CYS  64           H        CYS  64   2.917  -2.488  -1.769
  418    HA   CYS  64           HA       CYS  64   5.392  -2.819  -3.403
  419   1HB   CYS  64          2HB       CYS  64   5.168  -0.453  -3.058
  420   2HB   CYS  64          1HB       CYS  64   4.784  -0.676  -1.353
  421    HA   PRO  65           HA       PRO  65   6.261  -5.668  -0.156
  422   1HB   PRO  65          2HB       PRO  65   8.611  -6.513  -1.275
  423   2HB   PRO  65          1HB       PRO  65   7.031  -7.090  -1.803
  424   1HG   PRO  65          2HG       PRO  65   8.909  -5.213  -3.140
  425   2HG   PRO  65          1HG       PRO  65   7.644  -6.231  -3.850
  426   1HD   PRO  65          2HD       PRO  65   7.469  -3.448  -3.352
  427   2HD   PRO  65          1HD       PRO  65   6.127  -4.527  -3.788
  428    H    ARG  66           H        ARG  66   9.010  -6.155   0.502
  429    HA   ARG  66           HA       ARG  66   9.980  -3.479   1.319
  430   1HB   ARG  66          2HB       ARG  66   9.903  -5.909   3.123
  431   2HB   ARG  66          1HB       ARG  66  10.449  -4.290   3.563
  432   1HG   ARG  66          2HG       ARG  66   8.172  -3.416   3.068
  433   2HG   ARG  66          1HG       ARG  66   7.638  -5.062   2.728
  434   1HD   ARG  66          2HD       ARG  66   7.434  -5.546   4.924
  435   2HD   ARG  66          1HD       ARG  66   9.026  -4.877   5.287
  436    HE   ARG  66           HE       ARG  66   6.494  -3.503   5.628
  437   1HH1  ARG  66          1HH1      ARG  66   9.540  -3.317   6.676
  438   2HH1  ARG  66          2HH1      ARG  66   9.777  -1.620   6.427
  439   1HH2  ARG  66          1HH2      ARG  66   6.914  -1.233   4.508
  440   2HH2  ARG  66          2HH2      ARG  66   8.290  -0.439   5.200
  441    H    TYR  67           H        TYR  67  12.273  -3.358   1.601
  442    HA   TYR  67           HA       TYR  67  13.962  -5.674   1.243
  443   1HB   TYR  67          2HB       TYR  67  12.953  -4.739  -1.110
  444   2HB   TYR  67          1HB       TYR  67  14.432  -3.794  -0.963
  445    HD1  TYR  67           HD1      TYR  67  13.295  -7.321  -0.382
  446    HD2  TYR  67           HD2      TYR  67  16.367  -4.712  -1.862
  447    HE1  TYR  67           HE1      TYR  67  14.629  -9.292  -1.079
  448    HE2  TYR  67           HE2      TYR  67  17.704  -6.681  -2.560
  449    HH   TYR  67           HH       TYR  67  16.679  -9.495  -3.112
  450    H    HIS  68           HN       HIS  68  13.946  -3.811   3.255
  451    HA   HIS  68           HA       HIS  68  16.485  -2.329   2.724
  452   1HB   HIS  68          2HB       HIS  68  15.575  -0.547   4.294
  453   2HB   HIS  68          1HB       HIS  68  14.784  -0.634   2.721
  454    HD1  HIS  68           HD1      HIS  68  14.294  -2.145   6.197
  455    HD2  HIS  68           HD2      HIS  68  12.043  -0.826   2.945
  456    HE1  HIS  68           HE1      HIS  68  11.863  -2.372   6.869
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1 -12.123 -16.410  -2.279
    2   2H    GLY   1          2HT       GLY   1 -13.694 -15.768  -2.345
    3   3H    GLY   1          3HT       GLY   1 -13.291 -16.915  -1.157
    4   1HA   GLY   1          1HA       GLY   1 -12.929 -15.201   0.195
    5   2HA   GLY   1          2HA       GLY   1 -11.455 -14.962  -0.744
    6    H    LYS   2           H        LYS   2 -11.557 -12.663  -0.543
    7    HA   LYS   2           HA       LYS   2 -13.411 -11.409  -2.467
    8   1HB   LYS   2          2HB       LYS   2 -14.017  -9.632  -0.768
    9   2HB   LYS   2          1HB       LYS   2 -14.722 -11.218  -0.449
   10   1HG   LYS   2          2HG       LYS   2 -12.354 -11.448   0.876
   11   2HG   LYS   2          1HG       LYS   2 -12.676  -9.723   1.078
   12   1HD   LYS   2          2HD       LYS   2 -14.950 -11.604   1.525
   13   2HD   LYS   2          1HD       LYS   2 -13.689 -11.551   2.757
   14   1HE   LYS   2          2HE       LYS   2 -15.269  -9.183   1.713
   15   2HE   LYS   2          1HE       LYS   2 -15.437  -9.928   3.301
   16   1HZ   LYS   2          1HZ       LYS   2 -13.366  -8.158   2.292
   17   2HZ   LYS   2          2HZ       LYS   2 -12.832  -9.436   3.275
   18   3HZ   LYS   2          3HZ       LYS   2 -13.978  -8.330   3.864
   19    H    GLU   3           H        GLU   3 -12.509  -9.555  -3.388
   20    HA   GLU   3           HA       GLU   3  -9.772  -8.859  -2.437
   21   1HB   GLU   3          2HB       GLU   3 -10.918  -9.293  -5.086
   22   2HB   GLU   3          1HB       GLU   3  -9.943  -7.831  -4.966
   23   1HG   GLU   3          2HG       GLU   3  -8.244  -9.400  -3.727
   24   2HG   GLU   3          1HG       GLU   3  -9.127 -10.691  -4.540
   25    H    CYS   4           H        CYS   4  -9.173  -6.499  -3.105
   26    HA   CYS   4           HA       CYS   4 -11.455  -4.708  -3.117
   27   1HB   CYS   4          2HB       CYS   4 -11.299  -5.123  -0.749
   28   2HB   CYS   4          1HB       CYS   4  -9.603  -4.734  -0.785
   29    H    ASP   5           H        ASP   5  -9.995  -4.600  -5.188
   30    HA   ASP   5           HA       ASP   5  -7.460  -3.493  -5.347
   31   1HB   ASP   5          2HB       ASP   5  -9.372  -3.967  -7.184
   32   2HB   ASP   5          1HB       ASP   5  -9.485  -2.208  -7.102
   33    H    CYS   6           H        CYS   6 -10.459  -1.816  -4.543
   34    HA   CYS   6           HA       CYS   6  -8.872   0.403  -3.427
   35   1HB   CYS   6          2HB       CYS   6  -9.156   1.625  -5.309
   36   2HB   CYS   6          1HB       CYS   6 -10.364   0.520  -5.925
   37    H    SER   7           H        SER   7  -9.884   1.287  -1.628
   38    HA   SER   7           HA       SER   7 -12.535   0.108  -0.927
   39   1HB   SER   7          2HB       SER   7 -11.729   1.157   1.400
   40   2HB   SER   7          1HB       SER   7 -11.203  -0.438   0.871
   41    HG   SER   7           HG       SER   7  -9.270   0.364   0.329
   42    H    SER   8           H        SER   8 -11.305   2.887  -2.221
   43    HA   SER   8           HA       SER   8 -12.819   4.834  -0.663
   44   1HB   SER   8          2HB       SER   8 -10.833   4.885  -2.717
   45   2HB   SER   8          1HB       SER   8 -12.205   5.855  -3.236
   46    HG   SER   8           HG       SER   8 -10.406   6.729  -1.738
   47    HA   PRO   9           HA       PRO   9 -16.520   3.733  -2.973
   48   1HB   PRO   9          2HB       PRO   9 -18.231   5.106  -1.314
   49   2HB   PRO   9          1HB       PRO   9 -17.615   3.483  -0.957
   50   1HG   PRO   9          2HG       PRO   9 -16.830   6.096   0.249
   51   2HG   PRO   9          1HG       PRO   9 -16.752   4.471   0.945
   52   1HD   PRO   9          2HD       PRO   9 -14.571   5.919  -0.127
   53   2HD   PRO   9          1HD       PRO   9 -14.582   4.188   0.262
   54    H    GLU  10           H        GLU  10 -14.909   6.645  -2.628
   55    HA   GLU  10           HA       GLU  10 -16.958   8.179  -4.163
   56   1HB   GLU  10          2HB       GLU  10 -15.176   8.890  -2.060
   57   2HB   GLU  10          1HB       GLU  10 -14.623   9.729  -3.510
   58   1HG   GLU  10          2HG       GLU  10 -17.026  10.456  -3.878
   59   2HG   GLU  10          1HG       GLU  10 -17.381   9.827  -2.268
   60    H    ASN  11           H        ASN  11 -14.460   6.155  -4.722
   61    HA   ASN  11           HA       ASN  11 -13.236   7.690  -6.908
   62   1HB   ASN  11          2HB       ASN  11 -12.307   5.764  -5.088
   63   2HB   ASN  11          1HB       ASN  11 -12.337   4.950  -6.648
   64   1HD2  ASN  11          1HD2      ASN  11  -9.893   5.679  -5.257
   65   2HD2  ASN  11          2HD2      ASN  11  -9.086   6.826  -6.211
   66    HA   PRO  12           HA       PRO  12 -15.950   5.570  -9.738
   67   1HB   PRO  12          2HB       PRO  12 -14.815   6.590 -12.028
   68   2HB   PRO  12          1HB       PRO  12 -15.938   7.503 -11.006
   69   1HG   PRO  12          2HG       PRO  12 -12.981   7.787 -11.266
   70   2HG   PRO  12          1HG       PRO  12 -14.187   8.997 -10.798
   71   1HD   PRO  12          2HD       PRO  12 -12.475   7.597  -9.033
   72   2HD   PRO  12          1HD       PRO  12 -13.902   8.547  -8.567
   73    H    CYS  13           H        CYS  13 -12.459   5.486  -9.800
   74    HA   CYS  13           HA       CYS  13 -11.948   3.528 -11.776
   75   1HB   CYS  13          2HB       CYS  13 -10.572   4.076  -9.145
   76   2HB   CYS  13          1HB       CYS  13  -9.939   2.977 -10.366
   77    H    CYS  14           H        CYS  14 -12.762   3.052  -8.326
   78    HA   CYS  14           HA       CYS  14 -13.075   0.167  -9.013
   79   1HB   CYS  14          2HB       CYS  14 -12.430  -0.358  -6.802
   80   2HB   CYS  14          1HB       CYS  14 -11.385   0.984  -7.258
   81    H    ASP  15           H        ASP  15 -14.374  -0.899  -7.186
   82    HA   ASP  15           HA       ASP  15 -17.080   0.343  -7.105
   83   1HB   ASP  15          2HB       ASP  15 -16.233  -2.016  -8.357
   84   2HB   ASP  15          1HB       ASP  15 -16.980  -2.537  -6.863
   85    H    ALA  16           H        ALA  16 -17.375   0.956  -5.002
   86    HA   ALA  16           HA       ALA  16 -15.954  -0.240  -2.801
   87   1HB   ALA  16          1HB       ALA  16 -17.841   1.967  -3.211
   88   2HB   ALA  16          2HB       ALA  16 -16.494   1.835  -2.080
   89   3HB   ALA  16          3HB       ALA  16 -18.061   1.139  -1.670
   90    H    ALA  17           H        ALA  17 -19.090  -0.803  -4.283
   91    HA   ALA  17           HA       ALA  17 -20.350  -2.171  -2.126
   92   1HB   ALA  17          1HB       ALA  17 -21.095  -3.526  -4.481
   93   2HB   ALA  17          2HB       ALA  17 -20.782  -1.863  -4.979
   94   3HB   ALA  17          3HB       ALA  17 -21.958  -2.196  -3.708
   95    H    THR  18           H        THR  18 -17.682  -3.006  -4.121
   96    HA   THR  18           HA       THR  18 -17.630  -5.714  -2.861
   97    HB   THR  18           HB       THR  18 -16.777  -6.675  -4.911
   98    HG1  THR  18           HG1      THR  18 -15.968  -5.472  -6.430
   99   1HG2  THR  18          1HG2      THR  18 -18.750  -5.573  -6.488
  100   2HG2  THR  18          2HG2      THR  18 -19.323  -5.213  -4.860
  101   3HG2  THR  18          3HG2      THR  18 -18.993  -6.881  -5.330
  102    H    CYS  19           H        CYS  19 -16.127  -2.749  -3.167
  103    HA   CYS  19           HA       CYS  19 -13.991  -2.043  -2.401
  104   1HB   CYS  19          2HB       CYS  19 -14.473  -4.400  -1.062
  105   2HB   CYS  19          1HB       CYS  19 -12.914  -4.664  -1.835
  106    H    LYS  20           H        LYS  20 -14.501  -4.115  -5.007
  107    HA   LYS  20           HA       LYS  20 -11.607  -3.945  -5.753
  108   1HB   LYS  20          2HB       LYS  20 -13.716  -5.833  -6.839
  109   2HB   LYS  20          1HB       LYS  20 -11.995  -5.855  -7.229
  110   1HG   LYS  20          2HG       LYS  20 -11.609  -7.157  -5.432
  111   2HG   LYS  20          1HG       LYS  20 -12.235  -5.881  -4.389
  112   1HD   LYS  20          2HD       LYS  20 -13.709  -7.604  -3.881
  113   2HD   LYS  20          1HD       LYS  20 -14.580  -6.811  -5.193
  114   1HE   LYS  20          2HE       LYS  20 -12.632  -8.807  -6.122
  115   2HE   LYS  20          1HE       LYS  20 -13.920  -9.490  -5.129
  116   1HZ   LYS  20          1HZ       LYS  20 -15.037  -9.473  -7.059
  117   2HZ   LYS  20          2HZ       LYS  20 -14.050  -8.282  -7.760
  118   3HZ   LYS  20          3HZ       LYS  20 -15.302  -7.837  -6.700
  119    H    LEU  21           H        LEU  21 -11.058  -3.189  -7.846
  120    HA   LEU  21           HA       LEU  21 -13.228  -1.566  -8.986
  121   1HB   LEU  21          2HB       LEU  21 -11.595  -0.205 -10.045
  122   2HB   LEU  21          1HB       LEU  21 -11.078  -0.443  -8.404
  123    HG   LEU  21           HG       LEU  21  -9.106  -1.199  -9.103
  124   1HD1  LEU  21          1HD1      LEU  21 -10.386  -3.429  -9.537
  125   2HD1  LEU  21          2HD1      LEU  21  -8.790  -3.206 -10.249
  126   3HD1  LEU  21          3HD1      LEU  21 -10.235  -2.980 -11.235
  127   1HD2  LEU  21          1HD2      LEU  21  -9.217   0.454 -10.770
  128   2HD2  LEU  21          2HD2      LEU  21 -10.357  -0.480 -11.738
  129   3HD2  LEU  21          3HD2      LEU  21  -8.676  -0.994 -11.620
  130    H    ARG  22           H        ARG  22 -12.735  -1.136 -11.450
  131    HA   ARG  22           HA       ARG  22 -11.820  -2.944 -13.207
  132   1HB   ARG  22          2HB       ARG  22 -12.911  -4.845 -12.363
  133   2HB   ARG  22          1HB       ARG  22 -14.395  -3.962 -12.033
  134   1HG   ARG  22          2HG       ARG  22 -13.408  -4.223 -14.862
  135   2HG   ARG  22          1HG       ARG  22 -14.293  -5.552 -14.113
  136   1HD   ARG  22          2HD       ARG  22 -15.868  -3.430 -13.424
  137   2HD   ARG  22          1HD       ARG  22 -15.263  -2.903 -14.995
  138    HE   ARG  22           HE       ARG  22 -16.446  -4.707 -16.017
  139   1HH1  ARG  22          1HH1      ARG  22 -17.785  -4.009 -13.110
  140   2HH1  ARG  22          2HH1      ARG  22 -18.428  -5.584 -12.785
  141   1HH2  ARG  22          1HH2      ARG  22 -16.715  -7.112 -15.382
  142   2HH2  ARG  22          2HH2      ARG  22 -17.822  -7.340 -14.071
  143    HA   PRO  23           HA       PRO  23 -15.396  -0.567 -15.158
  144   1HB   PRO  23          2HB       PRO  23 -17.107   0.809 -13.512
  145   2HB   PRO  23          1HB       PRO  23 -17.384  -0.867 -14.017
  146   1HG   PRO  23          2HG       PRO  23 -16.501   0.168 -11.372
  147   2HG   PRO  23          1HG       PRO  23 -17.315  -1.355 -11.766
  148   1HD   PRO  23          2HD       PRO  23 -14.540  -1.008 -11.224
  149   2HD   PRO  23          1HD       PRO  23 -15.328  -2.473 -11.837
  150    H    GLY  24           H        GLY  24 -12.892   0.429 -14.584
  151   1HA   GLY  24          2HA       GLY  24 -13.220   3.238 -14.957
  152   2HA   GLY  24          1HA       GLY  24 -12.769   2.932 -13.284
  153    H    ALA  25           H        ALA  25 -10.980   0.749 -13.655
  154    HA   ALA  25           HA       ALA  25  -9.046   1.374 -15.704
  155   1HB   ALA  25          1HB       ALA  25  -8.407   3.214 -14.601
  156   2HB   ALA  25          2HB       ALA  25  -7.343   2.044 -13.847
  157   3HB   ALA  25          3HB       ALA  25  -8.801   2.574 -13.016
  158    H    GLN  26           H        GLN  26  -6.729   0.584 -14.727
  159    HA   GLN  26           HA       GLN  26  -7.003  -2.249 -14.234
  160   1HB   GLN  26          2HB       GLN  26  -4.944  -0.438 -15.014
  161   2HB   GLN  26          1HB       GLN  26  -4.378  -1.312 -13.593
  162   1HG   GLN  26          2HG       GLN  26  -4.623  -3.414 -14.645
  163   2HG   GLN  26          1HG       GLN  26  -5.676  -2.757 -15.898
  164   1HE2  GLN  26          1HE2      GLN  26  -3.277  -4.244 -16.518
  165   2HE2  GLN  26          2HE2      GLN  26  -2.186  -3.184 -17.272
  166    H    CYS  27           H        CYS  27  -6.782   0.613 -12.342
  167    HA   CYS  27           HA       CYS  27  -7.307  -0.779  -9.882
  168   1HB   CYS  27          2HB       CYS  27  -5.175  -1.202  -9.268
  169   2HB   CYS  27          1HB       CYS  27  -4.541  -0.253 -10.595
  170    H    GLY  28           H        GLY  28  -7.891   0.778  -8.194
  171   1HA   GLY  28          2HA       GLY  28  -8.327   3.499  -9.345
  172   2HA   GLY  28          1HA       GLY  28  -9.426   2.730  -8.207
  173    H    GLU  29           H        GLU  29  -6.514   1.897  -6.988
  174    HA   GLU  29           HA       GLU  29  -5.572   4.379  -5.886
  175   1HB   GLU  29          2HB       GLU  29  -6.529   4.380  -3.716
  176   2HB   GLU  29          1HB       GLU  29  -7.882   4.090  -4.809
  177   1HG   GLU  29          2HG       GLU  29  -8.316   2.324  -3.447
  178   2HG   GLU  29          1HG       GLU  29  -7.018   1.535  -4.341
  179    H    GLY  30           H        GLY  30  -3.573   4.043  -5.093
  180   1HA   GLY  30          2HA       GLY  30  -2.712   1.863  -3.500
  181   2HA   GLY  30          1HA       GLY  30  -2.307   1.496  -5.177
  182    H    LEU  31           H        LEU  31  -0.241   1.913  -3.298
  183    HA   LEU  31           HA       LEU  31   0.672   4.608  -3.148
  184   1HB   LEU  31          2HB       LEU  31   1.686   2.079  -2.407
  185   2HB   LEU  31          1HB       LEU  31   2.904   2.846  -3.414
  186    HG   LEU  31           HG       LEU  31   1.626   3.968  -0.915
  187   1HD1  LEU  31          1HD1      LEU  31   4.549   3.985  -1.306
  188   2HD1  LEU  31          2HD1      LEU  31   3.835   2.375  -1.220
  189   3HD1  LEU  31          3HD1      LEU  31   3.604   3.515   0.106
  190   1HD2  LEU  31          1HD2      LEU  31   1.776   5.929  -2.115
  191   2HD2  LEU  31          2HD2      LEU  31   3.002   5.287  -3.208
  192   3HD2  LEU  31          3HD2      LEU  31   3.458   5.826  -1.592
  193    H    CYS  32           H        CYS  32   0.975   2.171  -5.656
  194    HA   CYS  32           HA       CYS  32   2.245   4.240  -7.383
  195   1HB   CYS  32          2HB       CYS  32   2.586   1.258  -7.727
  196   2HB   CYS  32          1HB       CYS  32   3.509   2.552  -8.491
  197    H    CYS  33           H        CYS  33  -0.194   4.678  -7.646
  198    HA   CYS  33           HA       CYS  33  -1.085   3.158 -10.041
  199   1HB   CYS  33          2HB       CYS  33  -2.344   3.030  -7.444
  200   2HB   CYS  33          1HB       CYS  33  -3.448   3.750  -8.617
  201    H    GLU  34           H        GLU  34  -1.386   4.645 -11.608
  202    HA   GLU  34           HA       GLU  34  -1.625   7.471 -11.002
  203   1HB   GLU  34          2HB       GLU  34  -0.789   6.048 -13.187
  204   2HB   GLU  34          1HB       GLU  34  -2.377   6.611 -13.698
  205   1HG   GLU  34          2HG       GLU  34  -1.810   8.896 -13.313
  206   2HG   GLU  34          1HG       GLU  34  -0.335   8.450 -12.452
  207    H    GLN  35           H        GLN  35  -3.489   8.577 -12.539
  208    HA   GLN  35           HA       GLN  35  -5.930   8.153 -11.153
  209   1HB   GLN  35          2HB       GLN  35  -5.292   9.507 -13.779
  210   2HB   GLN  35          1HB       GLN  35  -6.927   9.465 -13.119
  211   1HG   GLN  35          2HG       GLN  35  -6.160  10.560 -11.067
  212   2HG   GLN  35          1HG       GLN  35  -4.500  10.548 -11.663
  213   1HE2  GLN  35          1HE2      GLN  35  -4.027  11.908 -13.604
  214   2HE2  GLN  35          2HE2      GLN  35  -5.015  13.244 -13.953
  215    H    CYS  36           H        CYS  36  -6.379   5.890 -11.250
  216    HA   CYS  36           HA       CYS  36  -7.559   4.061 -12.129
  217   1HB   CYS  36          2HB       CYS  36  -8.352   6.287 -13.801
  218   2HB   CYS  36          1HB       CYS  36  -8.284   4.824 -14.728
  219    H    LYS  37           H        LYS  37  -4.793   3.946 -12.346
  220    HA   LYS  37           HA       LYS  37  -4.510   2.235 -14.708
  221   1HB   LYS  37          2HB       LYS  37  -2.852   4.777 -14.471
  222   2HB   LYS  37          1HB       LYS  37  -2.512   3.466 -15.597
  223   1HG   LYS  37          2HG       LYS  37  -5.066   5.103 -15.529
  224   2HG   LYS  37          1HG       LYS  37  -3.760   5.294 -16.693
  225   1HD   LYS  37          2HD       LYS  37  -5.275   2.697 -16.308
  226   2HD   LYS  37          1HD       LYS  37  -5.683   3.895 -17.534
  227   1HE   LYS  37          2HE       LYS  37  -2.878   2.818 -17.312
  228   2HE   LYS  37          1HE       LYS  37  -4.114   1.940 -18.213
  229   1HZ   LYS  37          1HZ       LYS  37  -2.668   4.262 -18.962
  230   2HZ   LYS  37          2HZ       LYS  37  -4.338   4.570 -19.001
  231   3HZ   LYS  37          3HZ       LYS  37  -3.686   3.285 -19.903
  232    H    PHE  38           H        PHE  38  -2.553   0.949 -14.613
  233    HA   PHE  38           HA       PHE  38  -1.562   0.610 -11.860
  234   1HB   PHE  38          2HB       PHE  38  -1.432  -0.948 -14.402
  235   2HB   PHE  38          1HB       PHE  38  -0.111  -1.175 -13.261
  236    HD1  PHE  38           HD1      PHE  38  -2.577  -3.013 -14.209
  237    HD2  PHE  38           HD2      PHE  38  -1.639  -0.762 -10.672
  238    HE1  PHE  38           HE1      PHE  38  -4.004  -4.529 -12.867
  239    HE2  PHE  38           HE2      PHE  38  -3.069  -2.277  -9.332
  240    HZ   PHE  38           HZ       PHE  38  -4.251  -4.161 -10.428
  241    H    SER  39           H        SER  39   0.143   1.852 -11.202
  242    HA   SER  39           HA       SER  39   1.766   3.488 -12.782
  243   1HB   SER  39          2HB       SER  39   3.403   3.416 -10.942
  244   2HB   SER  39          1HB       SER  39   1.766   3.507 -10.298
  245    HG   SER  39           HG       SER  39   2.017   1.044 -10.428
  246    H    ARG  40           H        ARG  40   4.113   3.144 -13.358
  247    HA   ARG  40           HA       ARG  40   4.400   0.566 -14.696
  248   1HB   ARG  40          2HB       ARG  40   5.609   3.219 -14.906
  249   2HB   ARG  40          1HB       ARG  40   6.756   1.901 -15.130
  250   1HG   ARG  40          2HG       ARG  40   4.632   1.014 -16.607
  251   2HG   ARG  40          1HG       ARG  40   4.507   2.756 -16.845
  252   1HD   ARG  40          2HD       ARG  40   7.248   2.181 -17.070
  253   2HD   ARG  40          1HD       ARG  40   6.430   0.898 -17.963
  254    HE   ARG  40           HE       ARG  40   5.276   2.729 -19.255
  255   1HH1  ARG  40          1HH1      ARG  40   6.308   4.892 -17.328
  256   2HH1  ARG  40          2HH1      ARG  40   7.550   5.617 -18.295
  257   1HH2  ARG  40          1HH2      ARG  40   7.666   3.004 -20.573
  258   2HH2  ARG  40          2HH2      ARG  40   8.319   4.547 -20.133
  259    H    ALA  41           H        ALA  41   5.680  -1.086 -13.953
  260    HA   ALA  41           HA       ALA  41   6.538  -1.375 -11.345
  261   1HB   ALA  41          1HB       ALA  41   6.730  -2.924 -13.586
  262   2HB   ALA  41          2HB       ALA  41   7.503  -3.321 -12.052
  263   3HB   ALA  41          3HB       ALA  41   8.425  -2.515 -13.321
  264    H    GLY  42           H        GLY  42   8.881  -1.451 -10.542
  265   1HA   GLY  42          2HA       GLY  42  10.968  -0.416 -10.220
  266   2HA   GLY  42          1HA       GLY  42  10.776   0.344 -11.796
  267    H    LYS  43           H        LYS  43   8.109   0.705  -9.657
  268    HA   LYS  43           HA       LYS  43   8.690   3.579  -9.438
  269   1HB   LYS  43          2HB       LYS  43   6.438   3.214 -10.015
  270   2HB   LYS  43          1HB       LYS  43   6.277   1.866  -8.894
  271   1HG   LYS  43          2HG       LYS  43   5.111   3.796  -7.967
  272   2HG   LYS  43          1HG       LYS  43   6.541   3.476  -6.995
  273   1HD   LYS  43          2HD       LYS  43   7.020   5.671  -7.317
  274   2HD   LYS  43          1HD       LYS  43   7.540   5.162  -8.923
  275   1HE   LYS  43          2HE       LYS  43   4.909   5.399  -9.405
  276   2HE   LYS  43          1HE       LYS  43   5.049   6.572  -8.095
  277   1HZ   LYS  43          1HZ       LYS  43   7.096   6.682 -10.160
  278   2HZ   LYS  43          2HZ       LYS  43   6.321   7.943  -9.326
  279   3HZ   LYS  43          3HZ       LYS  43   5.540   7.173 -10.623
  280    H    ILE  44           H        ILE  44   9.581   4.456  -7.615
  281    HA   ILE  44           HA       ILE  44  10.197   2.731  -5.348
  282    HB   ILE  44           HB       ILE  44  11.777   4.466  -6.024
  283   1HG1  ILE  44          2HG1      ILE  44  11.995   5.650  -3.803
  284   2HG1  ILE  44          1HG1      ILE  44  10.441   4.953  -3.345
  285   1HG2  ILE  44          1HG2      ILE  44   9.676   5.979  -6.658
  286   2HG2  ILE  44          2HG2      ILE  44  11.235   6.695  -6.252
  287   3HG2  ILE  44          3HG2      ILE  44   9.956   6.614  -5.040
  288   1HD1  ILE  44          1HD1      ILE  44  11.447   2.677  -3.909
  289   2HD1  ILE  44          2HD1      ILE  44  12.099   3.471  -2.477
  290   3HD1  ILE  44          3HD1      ILE  44  13.009   3.493  -3.986
  291    H    CYS  45           H        CYS  45   8.240   2.132  -4.415
  292    HA   CYS  45           HA       CYS  45   6.211   4.089  -3.628
  293   1HB   CYS  45          2HB       CYS  45   5.219   2.095  -2.462
  294   2HB   CYS  45          1HB       CYS  45   5.513   1.837  -4.178
  295    H    ARG  46           H        ARG  46   8.999   2.554  -2.185
  296    HA   ARG  46           HA       ARG  46   8.587   4.219   0.241
  297   1HB   ARG  46          2HB       ARG  46   8.129   1.398   0.137
  298   2HB   ARG  46          1HB       ARG  46   9.575   1.684   1.105
  299   1HG   ARG  46          2HG       ARG  46   7.730   3.677   1.871
  300   2HG   ARG  46          1HG       ARG  46   6.810   2.172   1.790
  301   1HD   ARG  46          2HD       ARG  46   7.762   1.442   3.691
  302   2HD   ARG  46          1HD       ARG  46   9.371   1.662   3.004
  303    HE   ARG  46           HE       ARG  46   9.471   3.406   4.596
  304   1HH1  ARG  46          1HH2      ARG  46   6.195   2.949   4.104
  305   2HH1  ARG  46          2HH2      ARG  46   5.756   4.619   4.237
  306   1HH2  ARG  46          1HH1      ARG  46   9.031   5.753   4.267
  307   2HH2  ARG  46          2HH1      ARG  46   7.360   6.206   4.329
  308    H    ILE  47           H        ILE  47  10.471   5.175   0.811
  309    HA   ILE  47           HA       ILE  47  12.978   4.229  -0.463
  310    HB   ILE  47           HB       ILE  47  12.657   6.576  -0.722
  311   1HG1  ILE  47          2HG1      ILE  47  14.499   7.555   0.592
  312   2HG1  ILE  47          1HG1      ILE  47  14.460   6.174   1.689
  313   1HG2  ILE  47          1HG2      ILE  47  12.364   7.945   1.500
  314   2HG2  ILE  47          2HG2      ILE  47  11.767   6.416   2.144
  315   3HG2  ILE  47          3HG2      ILE  47  10.960   7.169   0.769
  316   1HD1  ILE  47          1HD1      ILE  47  15.016   6.013  -1.289
  317   2HD1  ILE  47          2HD1      ILE  47  15.040   4.664  -0.153
  318   3HD1  ILE  47          3HD1      ILE  47  16.244   5.946  -0.025
  319    H    ALA  48           H        ALA  48  13.831   2.575   0.756
  320    HA   ALA  48           HA       ALA  48  13.521   2.209   3.541
  321   1HB   ALA  48          1HB       ALA  48  15.720   0.848   3.259
  322   2HB   ALA  48          2HB       ALA  48  15.563   1.248   1.547
  323   3HB   ALA  48          3HB       ALA  48  14.298   0.330   2.358
  324    H    ARG  49           H        ARG  49  15.887   2.075   4.847
  325    HA   ARG  49           HA       ARG  49  16.445   4.747   5.603
  326   1HB   ARG  49          2HB       ARG  49  18.253   2.402   6.003
  327   2HB   ARG  49          1HB       ARG  49  18.199   3.861   6.976
  328   1HG   ARG  49          2HG       ARG  49  15.994   1.799   6.697
  329   2HG   ARG  49          1HG       ARG  49  16.988   2.080   8.127
  330   1HD   ARG  49          2HD       ARG  49  15.997   4.602   7.562
  331   2HD   ARG  49          1HD       ARG  49  14.636   3.547   7.177
  332    HE   ARG  49           HE       ARG  49  16.026   3.354   9.817
  333   1HH1  ARG  49          1HH1      ARG  49  13.559   5.172   8.756
  334   2HH1  ARG  49          2HH1      ARG  49  12.296   4.392   9.649
  335   1HH2  ARG  49          1HH2      ARG  49  14.258   1.688  10.578
  336   2HH2  ARG  49          2HH2      ARG  49  12.692   2.419  10.680
  337    H    GLY  50           H        GLY  50  19.215   2.843   4.575
  338   1HA   GLY  50          2HA       GLY  50  19.877   5.005   2.666
  339   2HA   GLY  50          1HA       GLY  50  21.086   4.345   3.751
  340    H    ASP  51           H        ASP  51  21.127   1.730   3.515
  341    HA   ASP  51           HA       ASP  51  21.174   1.165   0.600
  342   1HB   ASP  51          2HB       ASP  51  23.299   1.108   2.509
  343   2HB   ASP  51          1HB       ASP  51  23.014  -0.528   1.913
  344    H    TRP  52           H        TRP  52  20.054  -0.613  -0.030
  345    HA   TRP  52           HA       TRP  52  19.822  -3.103   1.227
  346   1HB   TRP  52          2HB       TRP  52  17.259  -2.536   2.014
  347   2HB   TRP  52          1HB       TRP  52  18.632  -2.571   3.111
  348    HD1  TRP  52           HD1      TRP  52  18.153  -0.644   4.689
  349    HE1  TRP  52           HE1      TRP  52  17.788   1.870   4.407
  350    HE3  TRP  52           HE3      TRP  52  17.751  -0.313  -0.399
  351    HZ2  TRP  52           HZ2      TRP  52  17.377   3.785   2.319
  352    HZ3  TRP  52           HZ3      TRP  52  17.385   1.867  -1.490
  353    HH2  TRP  52           HH2      TRP  52  17.202   3.920  -0.111
  354    H    ASN  53           H        ASN  53  17.116  -3.750   0.742
  355    HA   ASN  53           HA       ASN  53  17.016  -3.397  -2.203
  356   1HB   ASN  53          2HB       ASN  53  16.383  -5.536  -0.399
  357   2HB   ASN  53          1HB       ASN  53  14.906  -5.066  -1.242
  358   1HD2  ASN  53          1HD2      ASN  53  17.771  -6.898  -1.563
  359   2HD2  ASN  53          2HD2      ASN  53  17.715  -7.129  -3.243
  360    H    ASP  54           H        ASP  54  16.099  -1.345  -2.455
  361    HA   ASP  54           HA       ASP  54  14.045  -0.224  -0.848
  362   1HB   ASP  54          2HB       ASP  54  13.566   1.128  -3.021
  363   2HB   ASP  54          1HB       ASP  54  15.151   1.293  -2.267
  364    H    ASP  55           H        ASP  55  11.816   0.375  -1.941
  365    HA   ASP  55           HA       ASP  55  10.595  -2.197  -2.814
  366   1HB   ASP  55          2HB       ASP  55   9.292   0.231  -1.611
  367   2HB   ASP  55          1HB       ASP  55   8.491  -1.294  -1.963
  368    H    ARG  56           H        ARG  56  10.560  -2.197  -5.032
  369    HA   ARG  56           HA       ARG  56   9.683   0.301  -6.406
  370   1HB   ARG  56          2HB       ARG  56  11.094  -2.094  -7.550
  371   2HB   ARG  56          1HB       ARG  56  10.737  -0.599  -8.402
  372   1HG   ARG  56          2HG       ARG  56  12.210  -0.309  -5.844
  373   2HG   ARG  56          1HG       ARG  56  13.104  -1.065  -7.165
  374   1HD   ARG  56          2HD       ARG  56  12.659   0.827  -8.622
  375   2HD   ARG  56          1HD       ARG  56  11.609   1.560  -7.410
  376    HE   ARG  56           HE       ARG  56  13.776   1.616  -5.969
  377   1HH1  ARG  56          1HH2      ARG  56  13.346   3.687  -8.255
  378   2HH1  ARG  56          2HH2      ARG  56  14.946   3.737  -8.919
  379   1HH2  ARG  56          1HH1      ARG  56  15.986   0.842  -7.318
  380   2HH2  ARG  56          2HH1      ARG  56  16.440   2.126  -8.388
  381    H    CYS  57           H        CYS  57   7.405   0.050  -6.359
  382    HA   CYS  57           HA       CYS  57   5.801  -2.158  -6.511
  383   1HB   CYS  57          2HB       CYS  57   5.491   0.423  -8.065
  384   2HB   CYS  57          1HB       CYS  57   4.236  -0.808  -7.985
  385    H    THR  58           H        THR  58   5.056  -3.576  -8.106
  386    HA   THR  58           HA       THR  58   6.886  -4.030 -10.342
  387    HB   THR  58           HB       THR  58   5.836  -6.102 -10.564
  388    HG1  THR  58           HG1      THR  58   3.627  -6.353  -9.785
  389   1HG2  THR  58          1HG2      THR  58   4.763  -5.909  -7.843
  390   2HG2  THR  58          2HG2      THR  58   6.390  -5.242  -7.991
  391   3HG2  THR  58          3HG2      THR  58   6.074  -6.911  -8.465
  392    H    GLY  59           H        GLY  59   5.523  -4.707 -12.499
  393   1HA   GLY  59          2HA       GLY  59   4.198  -2.190 -13.298
  394   2HA   GLY  59          1HA       GLY  59   4.712  -3.478 -14.387
  395    H    GLN  60           H        GLN  60   2.960  -4.436 -11.569
  396    HA   GLN  60           HA       GLN  60   0.368  -4.412 -12.992
  397   1HB   GLN  60          2HB       GLN  60   1.755  -6.953 -12.088
  398   2HB   GLN  60          1HB       GLN  60   0.066  -6.865 -12.587
  399   1HG   GLN  60          2HG       GLN  60   0.659  -6.217 -14.813
  400   2HG   GLN  60          1HG       GLN  60   2.338  -5.928 -14.351
  401   1HE2  GLN  60          1HE2      GLN  60   1.297  -7.856 -16.408
  402   2HE2  GLN  60          2HE2      GLN  60   1.859  -9.382 -15.923
  403    H    SER  61           H        SER  61   1.885  -3.589 -10.320
  404    HA   SER  61           HA       SER  61  -0.338  -4.507  -8.538
  405   1HB   SER  61          2HB       SER  61   1.331  -5.384  -7.283
  406   2HB   SER  61          1HB       SER  61   2.573  -4.493  -8.158
  407    HG   SER  61           HG       SER  61   1.995  -3.993  -5.794
  408    H    ALA  62           H        ALA  62  -0.816  -2.908  -6.764
  409    HA   ALA  62           HA       ALA  62  -0.329  -0.096  -7.684
  410   1HB   ALA  62          1HB       ALA  62  -2.881  -1.257  -6.515
  411   2HB   ALA  62          2HB       ALA  62  -2.637  -0.812  -8.205
  412   3HB   ALA  62          3HB       ALA  62  -2.629   0.433  -6.954
  413    H    ASP  63           H        ASP  63  -0.274  -2.364  -5.083
  414    HA   ASP  63           HA       ASP  63  -0.057  -0.142  -3.113
  415   1HB   ASP  63          2HB       ASP  63  -0.184  -3.076  -2.501
  416   2HB   ASP  63          1HB       ASP  63  -0.455  -1.737  -1.395
  417    H    CYS  64           H        CYS  64   1.606  -1.020  -1.238
  418    HA   CYS  64           HA       CYS  64   4.052  -2.036  -2.593
  419   1HB   CYS  64          2HB       CYS  64   4.260   0.389  -2.696
  420   2HB   CYS  64          1HB       CYS  64   3.884   0.520  -0.976
  421    HA   PRO  65           HA       PRO  65   4.220  -4.232   1.221
  422   1HB   PRO  65          2HB       PRO  65   6.448  -5.655   0.531
  423   2HB   PRO  65          1HB       PRO  65   4.832  -6.063  -0.045
  424   1HG   PRO  65          2HG       PRO  65   7.112  -4.841  -1.507
  425   2HG   PRO  65          1HG       PRO  65   5.727  -5.742  -2.143
  426   1HD   PRO  65          2HD       PRO  65   6.061  -2.922  -2.167
  427   2HD   PRO  65          1HD       PRO  65   4.584  -3.821  -2.579
  428    H    ARG  66           H        ARG  66   4.960  -2.922   2.917
  429    HA   ARG  66           HA       ARG  66   7.291  -1.301   2.848
  430   1HB   ARG  66          2HB       ARG  66   5.595  -2.416   5.068
  431   2HB   ARG  66          1HB       ARG  66   7.066  -1.516   5.440
  432   1HG   ARG  66          2HG       ARG  66   5.838   0.062   3.520
  433   2HG   ARG  66          1HG       ARG  66   4.479  -0.536   4.473
  434   1HD   ARG  66          2HD       ARG  66   6.339   0.099   6.414
  435   2HD   ARG  66          1HD       ARG  66   6.583   1.370   5.217
  436    HE   ARG  66           HE       ARG  66   3.862   1.357   5.472
  437   1HH1  ARG  66          1HH2      ARG  66   4.366   0.099   8.194
  438   2HH1  ARG  66          2HH2      ARG  66   4.418   1.500   9.211
  439   1HH2  ARG  66          1HH1      ARG  66   4.831   3.721   6.580
  440   2HH2  ARG  66          2HH1      ARG  66   4.682   3.549   8.298
  441    H    TYR  67           H        TYR  67   9.423  -1.698   3.479
  442    HA   TYR  67           HA       TYR  67  10.086  -4.522   4.105
  443   1HB   TYR  67          2HB       TYR  67  10.956  -2.972   1.964
  444   2HB   TYR  67          1HB       TYR  67  12.297  -2.934   3.106
  445    HD1  TYR  67           HD1      TYR  67  13.243  -5.107   3.988
  446    HD2  TYR  67           HD2      TYR  67  10.441  -4.949   0.736
  447    HE1  TYR  67           HE1      TYR  67  13.876  -7.413   3.329
  448    HE2  TYR  67           HE2      TYR  67  11.075  -7.255   0.078
  449    HH   TYR  67           HH       TYR  67  12.063  -9.272   1.183
  450    H    HIS  68           HN       HIS  68  10.457  -1.191   5.021
  451    HA   HIS  68           HA       HIS  68  11.700  -2.046   7.555
  452   1HB   HIS  68          2HB       HIS  68  13.272  -0.982   5.420
  453   2HB   HIS  68          1HB       HIS  68  13.176   0.248   6.681
  454    HD1  HIS  68           HD1      HIS  68  14.542  -0.130   8.768
  455    HD2  HIS  68           HD2      HIS  68  14.288  -3.559   6.412
  456    HE1  HIS  68           HE1      HIS  68  16.113  -1.827   9.801
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1 -11.191  -9.730   4.258
    2   2H    GLY   1          2HT       GLY   1 -12.085  -8.355   3.814
    3   3H    GLY   1          3HT       GLY   1 -10.603  -8.689   3.054
    4   1HA   GLY   1          1HA       GLY   1 -12.422 -10.878   2.830
    5   2HA   GLY   1          2HA       GLY   1 -13.076  -9.393   2.138
    6    H    LYS   2           H        LYS   2 -12.630 -11.166   0.258
    7    HA   LYS   2           HA       LYS   2 -10.016 -10.363  -0.952
    8   1HB   LYS   2          2HB       LYS   2 -11.251 -12.993  -1.672
    9   2HB   LYS   2          1HB       LYS   2  -9.550 -12.527  -1.638
   10   1HG   LYS   2          2HG       LYS   2  -9.896 -12.327   0.936
   11   2HG   LYS   2          1HG       LYS   2 -11.333 -13.312   0.659
   12   1HD   LYS   2          2HD       LYS   2  -8.513 -14.051  -0.180
   13   2HD   LYS   2          1HD       LYS   2  -9.371 -14.718   1.208
   14   1HE   LYS   2          2HE       LYS   2 -11.165 -15.510  -0.370
   15   2HE   LYS   2          1HE       LYS   2 -10.140 -14.995  -1.710
   16   1HZ   LYS   2          1HZ       LYS   2  -9.757 -17.298  -1.315
   17   2HZ   LYS   2          2HZ       LYS   2  -9.506 -17.040   0.345
   18   3HZ   LYS   2          3HZ       LYS   2  -8.383 -16.455  -0.788
   19    H    GLU   3           H        GLU   3 -12.037  -8.754  -1.545
   20    HA   GLU   3           HA       GLU   3 -12.427  -9.077  -4.369
   21   1HB   GLU   3          2HB       GLU   3 -14.988  -9.242  -4.210
   22   2HB   GLU   3          1HB       GLU   3 -14.080 -10.725  -3.915
   23   1HG   GLU   3          2HG       GLU   3 -14.200 -10.272  -1.467
   24   2HG   GLU   3          1HG       GLU   3 -15.202  -8.860  -1.803
   25    H    CYS   4           H        CYS   4 -11.444  -6.988  -2.914
   26    HA   CYS   4           HA       CYS   4 -13.473  -4.904  -3.434
   27   1HB   CYS   4          2HB       CYS   4 -13.495  -5.520  -0.981
   28   2HB   CYS   4          1HB       CYS   4 -11.871  -4.879  -0.920
   29    H    ASP   5           H        ASP   5 -11.893  -4.916  -5.303
   30    HA   ASP   5           HA       ASP   5  -9.244  -4.319  -5.367
   31   1HB   ASP   5          2HB       ASP   5 -10.890  -4.279  -7.317
   32   2HB   ASP   5          1HB       ASP   5 -11.207  -2.597  -6.889
   33    H    CYS   6           H        CYS   6 -11.790  -2.125  -4.286
   34    HA   CYS   6           HA       CYS   6  -9.723  -0.489  -2.940
   35   1HB   CYS   6          2HB       CYS   6 -11.826   0.871  -4.623
   36   2HB   CYS   6          1HB       CYS   6 -10.393   1.583  -3.890
   37    H    SER   7           H        SER   7 -10.494   0.374  -1.016
   38    HA   SER   7           HA       SER   7 -13.267  -0.402  -0.282
   39   1HB   SER   7          2HB       SER   7 -12.559  -0.391   1.951
   40   2HB   SER   7          1HB       SER   7 -11.110  -0.931   1.106
   41    HG   SER   7           HG       SER   7 -10.538   1.367   1.050
   42    H    SER   8           H        SER   8 -11.461   2.326  -1.227
   43    HA   SER   8           HA       SER   8 -12.790   4.359   0.301
   44   1HB   SER   8          2HB       SER   8 -10.846   4.238  -1.782
   45   2HB   SER   8          1HB       SER   8 -12.098   5.378  -2.261
   46    HG   SER   8           HG       SER   8 -11.837   6.316  -0.138
   47    HA   PRO   9           HA       PRO   9 -16.673   3.949  -1.889
   48   1HB   PRO   9          2HB       PRO   9 -18.029   5.735  -0.299
   49   2HB   PRO   9          1HB       PRO   9 -17.728   4.049   0.157
   50   1HG   PRO   9          2HG       PRO   9 -16.415   6.530   1.163
   51   2HG   PRO   9          1HG       PRO   9 -16.624   4.967   1.967
   52   1HD   PRO   9          2HD       PRO   9 -14.245   5.897   0.750
   53   2HD   PRO   9          1HD       PRO   9 -14.574   4.227   1.258
   54    H    GLU  10           H        GLU  10 -14.507   6.483  -1.848
   55    HA   GLU  10           HA       GLU  10 -16.265   8.156  -3.602
   56   1HB   GLU  10          2HB       GLU  10 -15.472   9.194  -1.402
   57   2HB   GLU  10          1HB       GLU  10 -13.844   9.146  -2.080
   58   1HG   GLU  10          2HG       GLU  10 -15.013  10.317  -4.146
   59   2HG   GLU  10          1HG       GLU  10 -16.199  10.793  -2.929
   60    H    ASN  11           H        ASN  11 -14.387   5.833  -4.183
   61    HA   ASN  11           HA       ASN  11 -12.398   7.219  -5.872
   62   1HB   ASN  11          2HB       ASN  11 -12.055   5.097  -4.214
   63   2HB   ASN  11          1HB       ASN  11 -12.392   4.263  -5.731
   64   1HD2  ASN  11          1HD2      ASN  11  -9.804   5.106  -3.998
   65   2HD2  ASN  11          2HD2      ASN  11  -8.716   5.550  -5.223
   66    HA   PRO  12           HA       PRO  12 -15.092   6.209  -9.282
   67   1HB   PRO  12          2HB       PRO  12 -13.516   7.372 -11.213
   68   2HB   PRO  12          1HB       PRO  12 -14.589   8.292 -10.143
   69   1HG   PRO  12          2HG       PRO  12 -11.619   8.060 -10.074
   70   2HG   PRO  12          1HG       PRO  12 -12.657   9.364  -9.475
   71   1HD   PRO  12          2HD       PRO  12 -11.429   7.350  -7.897
   72   2HD   PRO  12          1HD       PRO  12 -12.696   8.475  -7.364
   73    H    CYS  13           H        CYS  13 -11.839   5.208  -8.776
   74    HA   CYS  13           HA       CYS  13 -11.702   3.514 -11.183
   75   1HB   CYS  13          2HB       CYS  13  -9.874   4.075  -8.861
   76   2HB   CYS  13          1HB       CYS  13  -9.582   2.686  -9.900
   77    H    CYS  14           H        CYS  14 -13.382   3.258  -8.355
   78    HA   CYS  14           HA       CYS  14 -13.506   0.332  -8.673
   79   1HB   CYS  14          2HB       CYS  14 -12.411   1.707  -6.241
   80   2HB   CYS  14          1HB       CYS  14 -13.289   0.187  -6.064
   81    H    ASP  15           H        ASP  15 -15.533  -0.395  -8.327
   82    HA   ASP  15           HA       ASP  15 -17.668   1.447  -7.766
   83   1HB   ASP  15          2HB       ASP  15 -17.608  -0.895  -9.025
   84   2HB   ASP  15          1HB       ASP  15 -18.043  -1.478  -7.424
   85    H    ALA  16           H        ALA  16 -18.395   2.093  -5.795
   86    HA   ALA  16           HA       ALA  16 -17.253   0.850  -3.397
   87   1HB   ALA  16          1HB       ALA  16 -18.259   2.757  -2.207
   88   2HB   ALA  16          2HB       ALA  16 -19.073   3.255  -3.690
   89   3HB   ALA  16          3HB       ALA  16 -17.314   3.313  -3.588
   90    H    ALA  17           H        ALA  17 -19.564  -0.253  -5.200
   91    HA   ALA  17           HA       ALA  17 -21.453  -0.756  -2.930
   92   1HB   ALA  17          1HB       ALA  17 -22.268   0.501  -5.081
   93   2HB   ALA  17          2HB       ALA  17 -23.260  -0.803  -4.427
   94   3HB   ALA  17          3HB       ALA  17 -22.221  -1.099  -5.821
   95    H    THR  18           H        THR  18 -19.308  -2.066  -5.258
   96    HA   THR  18           HA       THR  18 -20.147  -4.822  -4.495
   97    HB   THR  18           HB       THR  18 -19.354  -3.646  -7.115
   98    HG1  THR  18           HG1      THR  18 -21.318  -4.221  -7.448
   99   1HG2  THR  18          1HG2      THR  18 -18.771  -6.451  -6.188
  100   2HG2  THR  18          2HG2      THR  18 -17.683  -5.319  -6.991
  101   3HG2  THR  18          3HG2      THR  18 -19.002  -6.064  -7.893
  102    H    CYS  19           H        CYS  19 -17.778  -2.470  -4.254
  103    HA   CYS  19           HA       CYS  19 -15.573  -2.518  -3.480
  104   1HB   CYS  19          2HB       CYS  19 -16.826  -4.879  -2.394
  105   2HB   CYS  19          1HB       CYS  19 -15.126  -5.166  -2.705
  106    H    LYS  20           H        LYS  20 -14.964  -2.277  -5.769
  107    HA   LYS  20           HA       LYS  20 -12.893  -4.048  -6.537
  108   1HB   LYS  20          2HB       LYS  20 -15.588  -4.790  -7.536
  109   2HB   LYS  20          1HB       LYS  20 -14.284  -4.783  -8.724
  110   1HG   LYS  20          2HG       LYS  20 -13.372  -6.023  -6.282
  111   2HG   LYS  20          1HG       LYS  20 -14.847  -6.809  -6.845
  112   1HD   LYS  20          2HD       LYS  20 -13.186  -6.298  -9.119
  113   2HD   LYS  20          1HD       LYS  20 -12.206  -7.090  -7.884
  114   1HE   LYS  20          2HE       LYS  20 -14.553  -8.519  -7.754
  115   2HE   LYS  20          1HE       LYS  20 -14.437  -8.160  -9.476
  116   1HZ   LYS  20          1HZ       LYS  20 -12.695  -9.509  -9.713
  117   2HZ   LYS  20          2HZ       LYS  20 -13.146 -10.167  -8.212
  118   3HZ   LYS  20          3HZ       LYS  20 -11.944  -8.968  -8.291
  119    H    LEU  21           H        LEU  21 -12.845  -3.780  -9.291
  120    HA   LEU  21           HA       LEU  21 -12.449  -0.886  -9.549
  121   1HB   LEU  21          2HB       LEU  21 -11.833  -3.294 -11.226
  122   2HB   LEU  21          1HB       LEU  21 -11.864  -1.704 -11.993
  123    HG   LEU  21           HG       LEU  21 -10.338  -2.120  -9.441
  124   1HD1  LEU  21          1HD1      LEU  21  -9.724  -3.813 -11.312
  125   2HD1  LEU  21          2HD1      LEU  21  -8.422  -2.872 -10.584
  126   3HD1  LEU  21          3HD1      LEU  21  -9.072  -2.409 -12.157
  127   1HD2  LEU  21          1HD2      LEU  21  -9.077  -0.412 -11.325
  128   2HD2  LEU  21          2HD2      LEU  21  -9.863   0.041  -9.813
  129   3HD2  LEU  21          3HD2      LEU  21 -10.791   0.001 -11.312
  130    H    ARG  22           H        ARG  22 -13.899   0.492 -10.498
  131    HA   ARG  22           HA       ARG  22 -16.467  -0.576 -11.387
  132   1HB   ARG  22          2HB       ARG  22 -15.518   1.917 -10.442
  133   2HB   ARG  22          1HB       ARG  22 -16.114   2.200 -12.078
  134   1HG   ARG  22          2HG       ARG  22 -17.633   0.892  -9.804
  135   2HG   ARG  22          1HG       ARG  22 -17.961   2.471 -10.516
  136   1HD   ARG  22          2HD       ARG  22 -17.952   0.744 -12.704
  137   2HD   ARG  22          1HD       ARG  22 -18.769  -0.176 -11.441
  138    HE   ARG  22           HE       ARG  22 -19.829   2.164 -12.785
  139   1HH1  ARG  22          1HH1      ARG  22 -21.517  -0.036 -11.681
  140   2HH1  ARG  22          2HH1      ARG  22 -22.253   0.718 -10.306
  141   1HH2  ARG  22          1HH2      ARG  22 -19.996   3.347 -10.205
  142   2HH2  ARG  22          2HH2      ARG  22 -21.392   2.633  -9.471
  143    HA   PRO  23           HA       PRO  23 -14.914   0.961 -15.624
  144   1HB   PRO  23          2HB       PRO  23 -12.380   2.006 -15.768
  145   2HB   PRO  23          1HB       PRO  23 -13.816   2.984 -15.415
  146   1HG   PRO  23          2HG       PRO  23 -11.659   2.083 -13.567
  147   2HG   PRO  23          1HG       PRO  23 -12.725   3.492 -13.443
  148   1HD   PRO  23          2HD       PRO  23 -13.004   1.052 -12.022
  149   2HD   PRO  23          1HD       PRO  23 -14.209   2.353 -12.130
  150    H    GLY  24           H        GLY  24 -12.655   0.459 -17.090
  151   1HA   GLY  24          2HA       GLY  24 -12.095  -2.379 -16.434
  152   2HA   GLY  24          1HA       GLY  24 -11.768  -1.596 -17.981
  153    H    ALA  25           H        ALA  25 -10.885   0.081 -15.097
  154    HA   ALA  25           HA       ALA  25  -8.153   0.341 -15.845
  155   1HB   ALA  25          1HB       ALA  25  -9.303   1.914 -14.339
  156   2HB   ALA  25          2HB       ALA  25  -7.845   1.277 -13.583
  157   3HB   ALA  25          3HB       ALA  25  -9.425   0.657 -13.112
  158    H    GLN  26           H        GLN  26  -6.380  -0.321 -14.118
  159    HA   GLN  26           HA       GLN  26  -6.610  -3.266 -13.806
  160   1HB   GLN  26          2HB       GLN  26  -4.409  -1.358 -14.242
  161   2HB   GLN  26          1HB       GLN  26  -4.033  -2.709 -13.177
  162   1HG   GLN  26          2HG       GLN  26  -3.630  -3.843 -15.104
  163   2HG   GLN  26          1HG       GLN  26  -5.387  -3.953 -15.216
  164   1HE2  GLN  26          1HE2      GLN  26  -3.689  -3.860 -17.555
  165   2HE2  GLN  26          2HE2      GLN  26  -4.015  -2.409 -18.375
  166    H    CYS  27           H        CYS  27  -6.700  -0.381 -12.000
  167    HA   CYS  27           HA       CYS  27  -7.177  -1.721  -9.534
  168   1HB   CYS  27          2HB       CYS  27  -4.977  -2.215  -9.117
  169   2HB   CYS  27          1HB       CYS  27  -4.389  -0.911 -10.127
  170    H    GLY  28           H        GLY  28  -7.498  -0.086  -7.749
  171   1HA   GLY  28          2HA       GLY  28  -8.013   2.618  -8.916
  172   2HA   GLY  28          1HA       GLY  28  -9.110   1.859  -7.768
  173    H    GLU  29           H        GLU  29  -6.533   0.829  -6.355
  174    HA   GLU  29           HA       GLU  29  -5.341   3.297  -5.348
  175   1HB   GLU  29          2HB       GLU  29  -6.236   3.222  -3.130
  176   2HB   GLU  29          1HB       GLU  29  -7.611   3.138  -4.227
  177   1HG   GLU  29          2HG       GLU  29  -8.226   1.287  -3.086
  178   2HG   GLU  29          1HG       GLU  29  -6.895   0.477  -3.911
  179    H    GLY  30           H        GLY  30  -3.327   2.852  -4.579
  180   1HA   GLY  30          2HA       GLY  30  -2.575   0.568  -3.070
  181   2HA   GLY  30          1HA       GLY  30  -2.197   0.248  -4.762
  182    H    LEU  31           H        LEU  31  -0.068   0.391  -3.020
  183    HA   LEU  31           HA       LEU  31   1.031   2.999  -2.645
  184   1HB   LEU  31          2HB       LEU  31   1.902   0.285  -2.307
  185   2HB   LEU  31          1HB       LEU  31   3.183   1.233  -3.047
  186    HG   LEU  31           HG       LEU  31   3.186   1.249  -0.518
  187   1HD1  LEU  31          1HD1      LEU  31   2.665   4.065  -1.204
  188   2HD1  LEU  31          2HD1      LEU  31   3.758   3.247  -2.322
  189   3HD1  LEU  31          3HD1      LEU  31   4.140   3.310  -0.600
  190   1HD2  LEU  31          1HD2      LEU  31   1.407   2.053   0.685
  191   2HD2  LEU  31          2HD2      LEU  31   0.500   1.547  -0.741
  192   3HD2  LEU  31          3HD2      LEU  31   0.977   3.235  -0.551
  193    H    CYS  32           H        CYS  32   0.633   1.075  -5.449
  194    HA   CYS  32           HA       CYS  32   2.120   3.094  -7.025
  195   1HB   CYS  32          2HB       CYS  32   2.531   0.208  -7.726
  196   2HB   CYS  32          1HB       CYS  32   3.565   1.594  -8.064
  197    H    CYS  33           H        CYS  33  -0.454   3.318  -7.125
  198    HA   CYS  33           HA       CYS  33  -1.338   1.780  -9.533
  199   1HB   CYS  33          2HB       CYS  33  -2.774   2.481  -7.008
  200   2HB   CYS  33          1HB       CYS  33  -3.699   2.463  -8.509
  201    H    GLU  34           H        GLU  34  -1.164   3.190 -11.207
  202    HA   GLU  34           HA       GLU  34  -1.330   6.046 -10.960
  203   1HB   GLU  34          2HB       GLU  34  -0.489   4.321 -12.916
  204   2HB   GLU  34          1HB       GLU  34  -2.005   4.922 -13.580
  205   1HG   GLU  34          2HG       GLU  34  -0.915   7.235 -12.634
  206   2HG   GLU  34          1HG       GLU  34   0.535   6.351 -13.113
  207    H    GLN  35           H        GLN  35  -3.035   7.046 -12.765
  208    HA   GLN  35           HA       GLN  35  -5.568   6.953 -11.462
  209   1HB   GLN  35          2HB       GLN  35  -4.539   8.765 -13.036
  210   2HB   GLN  35          1HB       GLN  35  -5.258   7.805 -14.331
  211   1HG   GLN  35          2HG       GLN  35  -7.380   7.908 -12.702
  212   2HG   GLN  35          1HG       GLN  35  -6.589   9.398 -12.187
  213   1HE2  GLN  35          1HE2      GLN  35  -9.058   8.721 -14.029
  214   2HE2  GLN  35          2HE2      GLN  35  -8.798   9.719 -15.377
  215    H    CYS  36           H        CYS  36  -6.156   4.698 -11.394
  216    HA   CYS  36           HA       CYS  36  -7.365   2.845 -12.186
  217   1HB   CYS  36          2HB       CYS  36  -8.026   5.028 -14.072
  218   2HB   CYS  36          1HB       CYS  36  -8.281   3.400 -14.688
  219    H    LYS  37           H        LYS  37  -4.491   3.069 -12.704
  220    HA   LYS  37           HA       LYS  37  -4.305   0.987 -14.749
  221   1HB   LYS  37          2HB       LYS  37  -4.262   3.339 -15.908
  222   2HB   LYS  37          1HB       LYS  37  -2.620   3.422 -15.269
  223   1HG   LYS  37          2HG       LYS  37  -1.978   1.420 -16.437
  224   2HG   LYS  37          1HG       LYS  37  -3.649   1.083 -16.892
  225   1HD   LYS  37          2HD       LYS  37  -2.903   3.743 -17.749
  226   2HD   LYS  37          1HD       LYS  37  -1.754   2.557 -18.371
  227   1HE   LYS  37          2HE       LYS  37  -4.769   2.352 -18.625
  228   2HE   LYS  37          1HE       LYS  37  -3.677   2.871 -19.909
  229   1HZ   LYS  37          1HZ       LYS  37  -3.905   0.642 -20.341
  230   2HZ   LYS  37          2HZ       LYS  37  -3.989   0.208 -18.700
  231   3HZ   LYS  37          3HZ       LYS  37  -2.500   0.645 -19.391
  232    H    PHE  38           H        PHE  38  -2.690  -0.380 -14.134
  233    HA   PHE  38           HA       PHE  38  -1.272  -0.245 -11.770
  234   1HB   PHE  38          2HB       PHE  38  -0.621  -1.527 -14.410
  235   2HB   PHE  38          1HB       PHE  38   0.546  -1.604 -13.091
  236    HD1  PHE  38           HD1      PHE  38  -0.996  -1.899 -10.692
  237    HD2  PHE  38           HD2      PHE  38  -1.746  -3.562 -14.580
  238    HE1  PHE  38           HE1      PHE  38  -2.287  -3.744  -9.654
  239    HE2  PHE  38           HE2      PHE  38  -3.038  -5.406 -13.543
  240    HZ   PHE  38           HZ       PHE  38  -3.308  -5.498 -11.079
  241    H    SER  39           H        SER  39   0.242   1.133 -10.989
  242    HA   SER  39           HA       SER  39   1.273   3.358 -12.351
  243   1HB   SER  39          2HB       SER  39   2.952   3.493 -10.567
  244   2HB   SER  39          1HB       SER  39   1.392   3.038  -9.888
  245    HG   SER  39           HG       SER  39   3.723   1.535 -10.244
  246    H    ARG  40           H        ARG  40   3.661   3.713 -12.902
  247    HA   ARG  40           HA       ARG  40   4.491   1.599 -14.737
  248   1HB   ARG  40          2HB       ARG  40   6.076   3.184 -15.585
  249   2HB   ARG  40          1HB       ARG  40   4.599   4.092 -15.256
  250   1HG   ARG  40          2HG       ARG  40   5.528   4.757 -13.049
  251   2HG   ARG  40          1HG       ARG  40   7.023   3.908 -13.442
  252   1HD   ARG  40          2HD       ARG  40   7.540   6.087 -14.100
  253   2HD   ARG  40          1HD       ARG  40   6.966   5.387 -15.612
  254    HE   ARG  40           HE       ARG  40   5.716   7.558 -14.219
  255   1HH1  ARG  40          1HH1      ARG  40   5.238   7.080 -17.086
  256   2HH1  ARG  40          2HH1      ARG  40   3.603   6.509 -17.119
  257   1HH2  ARG  40          1HH2      ARG  40   3.516   5.752 -13.737
  258   2HH2  ARG  40          2HH2      ARG  40   2.629   5.756 -15.224
  259    H    ALA  41           H        ALA  41   6.254   0.240 -14.433
  260    HA   ALA  41           HA       ALA  41   7.145  -0.445 -11.882
  261   1HB   ALA  41          1HB       ALA  41   9.385  -0.892 -13.505
  262   2HB   ALA  41          2HB       ALA  41   8.013  -0.981 -14.611
  263   3HB   ALA  41          3HB       ALA  41   8.075  -2.031 -13.197
  264    H    GLY  42           H        GLY  42   9.535  -0.191 -11.130
  265   1HA   GLY  42          2HA       GLY  42  11.249   1.238 -10.414
  266   2HA   GLY  42          1HA       GLY  42  10.894   2.251 -11.809
  267    H    LYS  43           H        LYS  43   8.253   1.437  -9.723
  268    HA   LYS  43           HA       LYS  43   7.989   4.274  -9.008
  269   1HB   LYS  43          2HB       LYS  43   5.963   3.234  -9.706
  270   2HB   LYS  43          1HB       LYS  43   6.220   1.861  -8.641
  271   1HG   LYS  43          2HG       LYS  43   4.651   3.108  -7.437
  272   2HG   LYS  43          1HG       LYS  43   6.160   3.673  -6.735
  273   1HD   LYS  43          2HD       LYS  43   4.859   5.630  -7.245
  274   2HD   LYS  43          1HD       LYS  43   6.142   5.540  -8.453
  275   1HE   LYS  43          2HE       LYS  43   4.655   4.670 -10.109
  276   2HE   LYS  43          1HE       LYS  43   3.396   4.357  -8.913
  277   1HZ   LYS  43          1HZ       LYS  43   2.658   6.424  -9.104
  278   2HZ   LYS  43          2HZ       LYS  43   3.700   6.627 -10.431
  279   3HZ   LYS  43          3HZ       LYS  43   4.203   7.081  -8.872
  280    H    ILE  44           H        ILE  44   8.741   5.089  -7.103
  281    HA   ILE  44           HA       ILE  44   9.854   3.286  -5.096
  282    HB   ILE  44           HB       ILE  44  10.981   5.384  -5.485
  283   1HG1  ILE  44          2HG1      ILE  44  10.708   6.454  -3.148
  284   2HG1  ILE  44          1HG1      ILE  44   9.522   5.183  -2.846
  285   1HG2  ILE  44          1HG2      ILE  44   8.217   6.404  -5.358
  286   2HG2  ILE  44          2HG2      ILE  44   9.604   7.015  -6.260
  287   3HG2  ILE  44          3HG2      ILE  44   9.412   7.422  -4.554
  288   1HD1  ILE  44          1HD1      ILE  44  11.149   3.457  -3.203
  289   2HD1  ILE  44          2HD1      ILE  44  11.900   4.634  -2.127
  290   3HD1  ILE  44          3HD1      ILE  44  12.322   4.609  -3.839
  291    H    CYS  45           H        CYS  45   8.276   2.125  -4.085
  292    HA   CYS  45           HA       CYS  45   5.813   3.410  -3.125
  293   1HB   CYS  45          2HB       CYS  45   5.305   1.093  -2.306
  294   2HB   CYS  45          1HB       CYS  45   5.630   1.176  -4.035
  295    H    ARG  46           H        ARG  46   8.978   2.761  -1.895
  296    HA   ARG  46           HA       ARG  46   8.242   3.905   0.675
  297   1HB   ARG  46          2HB       ARG  46   8.322   0.983   0.342
  298   2HB   ARG  46          1HB       ARG  46   9.294   1.584   1.686
  299   1HG   ARG  46          2HG       ARG  46   7.128   3.047   2.154
  300   2HG   ARG  46          1HG       ARG  46   6.335   1.745   1.265
  301   1HD   ARG  46          2HD       ARG  46   8.002   0.355   2.958
  302   2HD   ARG  46          1HD       ARG  46   7.520   1.725   3.957
  303    HE   ARG  46           HE       ARG  46   5.592  -0.183   2.694
  304   1HH1  ARG  46          1HH2      ARG  46   6.775   1.123   5.559
  305   2HH1  ARG  46          2HH2      ARG  46   5.224   1.416   6.269
  306   1HH2  ARG  46          1HH1      ARG  46   3.459   0.632   3.388
  307   2HH2  ARG  46          2HH1      ARG  46   3.346   1.137   5.042
  308    H    ILE  47           H        ILE  47  10.182   3.675   2.256
  309    HA   ILE  47           HA       ILE  47  12.690   4.031   0.672
  310    HB   ILE  47           HB       ILE  47  12.237   6.055   1.821
  311   1HG1  ILE  47          2HG1      ILE  47  13.979   6.199   3.541
  312   2HG1  ILE  47          1HG1      ILE  47  13.997   4.442   3.695
  313   1HG2  ILE  47          1HG2      ILE  47  10.559   5.813   3.345
  314   2HG2  ILE  47          2HG2      ILE  47  11.889   5.645   4.490
  315   3HG2  ILE  47          3HG2      ILE  47  11.101   4.209   3.835
  316   1HD1  ILE  47          1HD1      ILE  47  14.331   5.325   0.926
  317   2HD1  ILE  47          2HD1      ILE  47  15.303   4.193   1.867
  318   3HD1  ILE  47          3HD1      ILE  47  15.604   5.928   1.988
  319    H    ALA  48           H        ALA  48  14.279   2.546   0.995
  320    HA   ALA  48           HA       ALA  48  13.861   0.288   2.714
  321   1HB   ALA  48          1HB       ALA  48  16.304  -0.200   2.053
  322   2HB   ALA  48          2HB       ALA  48  16.200   1.263   1.071
  323   3HB   ALA  48          3HB       ALA  48  15.130  -0.097   0.742
  324    H    ARG  49           H        ARG  49  15.958  -0.328   4.178
  325    HA   ARG  49           HA       ARG  49  15.898   1.358   6.475
  326   1HB   ARG  49          2HB       ARG  49  17.880  -0.730   5.681
  327   2HB   ARG  49          1HB       ARG  49  17.745  -0.053   7.298
  328   1HG   ARG  49          2HG       ARG  49  15.641  -1.644   5.802
  329   2HG   ARG  49          1HG       ARG  49  16.510  -2.142   7.255
  330   1HD   ARG  49          2HD       ARG  49  15.449   0.286   8.013
  331   2HD   ARG  49          1HD       ARG  49  14.179  -0.374   6.984
  332    HE   ARG  49           HE       ARG  49  15.213  -1.672   9.460
  333   1HH1  ARG  49          1HH1      ARG  49  14.251  -3.751   7.656
  334   2HH1  ARG  49          2HH1      ARG  49  12.552  -3.819   7.980
  335   1HH2  ARG  49          1HH2      ARG  49  12.458  -0.729   9.550
  336   2HH2  ARG  49          2HH2      ARG  49  11.535  -2.109   9.054
  337    H    GLY  50           H        GLY  50  19.052   0.566   5.184
  338   1HA   GLY  50          2HA       GLY  50  19.657   3.347   4.544
  339   2HA   GLY  50          1HA       GLY  50  20.523   2.690   5.930
  340    H    ASP  51           H        ASP  51  20.621   3.057   2.586
  341    HA   ASP  51           HA       ASP  51  22.364   2.435   1.112
  342   1HB   ASP  51          2HB       ASP  51  23.406   1.685   3.588
  343   2HB   ASP  51          1HB       ASP  51  23.492   0.236   2.588
  344    H    TRP  52           H        TRP  52  21.178   1.473  -0.464
  345    HA   TRP  52           HA       TRP  52  21.341  -1.196  -1.147
  346   1HB   TRP  52          2HB       TRP  52  18.801  -1.792  -0.489
  347   2HB   TRP  52          1HB       TRP  52  20.155  -2.173   0.557
  348    HD1  TRP  52           HD1      TRP  52  18.910  -1.953   2.781
  349    HE1  TRP  52           HE1      TRP  52  17.907   0.013   4.066
  350    HE3  TRP  52           HE3      TRP  52  18.965   1.676  -0.826
  351    HZ2  TRP  52           HZ2      TRP  52  17.229   2.760   3.643
  352    HZ3  TRP  52           HZ3      TRP  52  18.149   3.943  -0.338
  353    HH2  TRP  52           HH2      TRP  52  17.279   4.472   1.921
  354    H    ASN  53           H        ASN  53  18.745  -1.730  -2.220
  355    HA   ASN  53           HA       ASN  53  18.573   0.474  -4.206
  356   1HB   ASN  53          2HB       ASN  53  18.720  -2.223  -4.601
  357   2HB   ASN  53          1HB       ASN  53  16.971  -1.994  -4.585
  358   1HD2  ASN  53          1HD2      ASN  53  19.648  -1.920  -6.629
  359   2HD2  ASN  53          2HD2      ASN  53  19.003  -0.949  -7.864
  360    H    ASP  54           H        ASP  54  16.758   1.797  -4.177
  361    HA   ASP  54           HA       ASP  54  14.935   1.740  -1.999
  362   1HB   ASP  54          2HB       ASP  54  15.195   3.225  -4.508
  363   2HB   ASP  54          1HB       ASP  54  13.532   3.058  -3.958
  364    H    ASP  55           H        ASP  55  12.589   1.309  -2.081
  365    HA   ASP  55           HA       ASP  55  12.056  -1.251  -3.371
  366   1HB   ASP  55          2HB       ASP  55  11.183  -0.165  -1.066
  367   2HB   ASP  55          1HB       ASP  55   9.845   0.258  -2.129
  368    H    ARG  56           H        ARG  56  11.835  -1.051  -5.571
  369    HA   ARG  56           HA       ARG  56  10.104   1.086  -6.678
  370   1HB   ARG  56          2HB       ARG  56  11.697  -1.029  -8.097
  371   2HB   ARG  56          1HB       ARG  56  10.957   0.387  -8.827
  372   1HG   ARG  56          2HG       ARG  56  12.762   0.944  -6.550
  373   2HG   ARG  56          1HG       ARG  56  13.552   0.301  -7.989
  374   1HD   ARG  56          2HD       ARG  56  12.499   2.062  -9.359
  375   2HD   ARG  56          1HD       ARG  56  11.711   2.710  -7.922
  376    HE   ARG  56           HE       ARG  56  14.001   3.245  -7.060
  377   1HH1  ARG  56          1HH2      ARG  56  15.168   1.452  -9.363
  378   2HH1  ARG  56          2HH2      ARG  56  15.896   2.681 -10.340
  379   1HH2  ARG  56          1HH1      ARG  56  14.240   5.290  -8.764
  380   2HH2  ARG  56          2HH1      ARG  56  15.371   4.855 -10.002
  381    H    CYS  57           H        CYS  57   8.220   0.564  -7.912
  382    HA   CYS  57           HA       CYS  57   7.019  -2.035  -7.169
  383   1HB   CYS  57          2HB       CYS  57   5.668   0.122  -8.791
  384   2HB   CYS  57          1HB       CYS  57   4.930  -1.096  -7.756
  385    H    THR  58           H        THR  58   6.257  -3.481  -8.802
  386    HA   THR  58           HA       THR  58   7.899  -3.541 -11.196
  387    HB   THR  58           HB       THR  58   6.857  -5.639 -11.638
  388    HG1  THR  58           HG1      THR  58   4.901  -6.173 -10.475
  389   1HG2  THR  58          1HG2      THR  58   6.461  -5.794  -8.718
  390   2HG2  THR  58          2HG2      THR  58   8.008  -5.109  -9.213
  391   3HG2  THR  58          3HG2      THR  58   7.542  -6.722  -9.758
  392    H    GLY  59           H        GLY  59   6.425  -4.179 -13.312
  393   1HA   GLY  59          2HA       GLY  59   4.883  -1.710 -13.814
  394   2HA   GLY  59          1HA       GLY  59   5.394  -2.875 -15.037
  395    H    GLN  60           H        GLN  60   4.025  -4.355 -12.289
  396    HA   GLN  60           HA       GLN  60   1.268  -4.275 -13.358
  397   1HB   GLN  60          2HB       GLN  60   2.833  -6.858 -13.065
  398   2HB   GLN  60          1HB       GLN  60   1.127  -6.733 -13.496
  399   1HG   GLN  60          2HG       GLN  60   3.435  -5.580 -15.093
  400   2HG   GLN  60          1HG       GLN  60   2.533  -7.037 -15.506
  401   1HE2  GLN  60          1HE2      GLN  60   0.016  -5.535 -14.376
  402   2HE2  GLN  60          2HE2      GLN  60  -0.445  -4.548 -15.675
  403    H    SER  61           H        SER  61   3.019  -3.773 -10.791
  404    HA   SER  61           HA       SER  61   1.305  -5.375  -8.936
  405   1HB   SER  61          2HB       SER  61   3.947  -5.409  -8.887
  406   2HB   SER  61          1HB       SER  61   3.744  -3.888  -8.021
  407    HG   SER  61           HG       SER  61   2.046  -5.358  -6.868
  408    H    ALA  62           H        ALA  62  -0.083  -4.294  -7.601
  409    HA   ALA  62           HA       ALA  62  -0.143  -1.328  -7.824
  410   1HB   ALA  62          1HB       ALA  62  -2.154  -3.440  -7.088
  411   2HB   ALA  62          2HB       ALA  62  -2.279  -2.159  -8.293
  412   3HB   ALA  62          3HB       ALA  62  -2.407  -1.771  -6.577
  413    H    ASP  63           H        ASP  63   0.521  -3.893  -5.562
  414    HA   ASP  63           HA       ASP  63   0.500  -1.953  -3.304
  415   1HB   ASP  63          2HB       ASP  63   1.022  -4.893  -3.079
  416   2HB   ASP  63          1HB       ASP  63   0.454  -3.794  -1.831
  417    H    CYS  64           H        CYS  64   2.442  -2.767  -1.669
  418    HA   CYS  64           HA       CYS  64   4.911  -2.971  -3.327
  419   1HB   CYS  64          2HB       CYS  64   4.718  -0.627  -2.825
  420   2HB   CYS  64          1HB       CYS  64   4.340  -0.962  -1.137
  421    HA   PRO  65           HA       PRO  65   5.623  -6.070  -0.258
  422   1HB   PRO  65          2HB       PRO  65   7.837  -7.059  -1.528
  423   2HB   PRO  65          1HB       PRO  65   6.187  -7.475  -1.993
  424   1HG   PRO  65          2HG       PRO  65   8.158  -5.725  -3.362
  425   2HG   PRO  65          1HG       PRO  65   6.755  -6.572  -4.034
  426   1HD   PRO  65          2HD       PRO  65   6.910  -3.810  -3.387
  427   2HD   PRO  65          1HD       PRO  65   5.448  -4.715  -3.830
  428    H    ARG  66           H        ARG  66   6.697  -5.697   1.643
  429    HA   ARG  66           HA       ARG  66   8.899  -3.779   1.736
  430   1HB   ARG  66          2HB       ARG  66   6.908  -4.271   3.468
  431   2HB   ARG  66          1HB       ARG  66   8.126  -5.353   4.142
  432   1HG   ARG  66          2HG       ARG  66   9.592  -3.611   4.643
  433   2HG   ARG  66          1HG       ARG  66   8.891  -2.538   3.430
  434   1HD   ARG  66          2HD       ARG  66   7.360  -1.731   4.884
  435   2HD   ARG  66          1HD       ARG  66   6.950  -3.344   5.466
  436    HE   ARG  66           HE       ARG  66   8.416  -2.986   7.275
  437   1HH1  ARG  66          1HH1      ARG  66   8.046  -0.048   6.989
  438   2HH1  ARG  66          2HH1      ARG  66   9.675   0.522   6.833
  439   1HH2  ARG  66          1HH2      ARG  66  10.975  -2.602   6.071
  440   2HH2  ARG  66          2HH2      ARG  66  11.333  -0.925   6.312
  441    H    TYR  67           H        TYR  67  10.131  -5.487   0.299
  442    HA   TYR  67           HA       TYR  67  11.132  -7.839   1.626
  443   1HB   TYR  67          2HB       TYR  67  12.371  -8.231  -0.317
  444   2HB   TYR  67          1HB       TYR  67  11.011  -7.292  -0.924
  445    HD1  TYR  67           HD1      TYR  67  14.196  -7.662  -1.678
  446    HD2  TYR  67           HD2      TYR  67  11.700  -4.553  -0.081
  447    HE1  TYR  67           HE1      TYR  67  15.770  -5.954  -2.545
  448    HE2  TYR  67           HE2      TYR  67  13.276  -2.845  -0.947
  449    HH   TYR  67           HH       TYR  67  15.734  -3.578  -3.183
  450    H    HIS  68           HN       HIS  68  11.744  -4.631   2.236
  451    HA   HIS  68           HA       HIS  68  14.453  -5.303   3.321
  452   1HB   HIS  68          2HB       HIS  68  13.511  -2.907   1.801
  453   2HB   HIS  68          1HB       HIS  68  14.682  -2.653   3.094
  454    HD1  HIS  68           HD1      HIS  68  15.918  -2.057   0.530
  455    HD2  HIS  68           HD2      HIS  68  15.627  -6.005   1.835
  456    HE1  HIS  68           HE1      HIS  68  17.665  -3.365  -0.752