*HEADER    HYDROLASE                               18-APR-13   2M75              
*TITLE     THE C-TERMINAL REGION OF DISINTEGRIN MODULATE ITS 3D CONFORMATION AND 
*TITLE    2 COOPERATE WITH RGD LOOP IN REGULATING RECOGNITIONS OF INTEGRINS      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC METALLOPROTEINASE/DISINTEGRIN;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 408-475;                                      
*COMPND   5 SYNONYM: SNAKE VENOM METALLOPROTEINASE RHODOSTOXIN, SVMP, HEMORRHAGIC
*COMPND   6 PROTEIN, DISINTEGRIN RHODOSTOMIN, RHO, DISINTEGRIN KISTRIN, PLATELET 
*COMPND   7 AGGREGATION ACTIVATION INHIBITOR;                                    
*COMPND   8 EC: 3.4.24.-;                                                        
*COMPND   9 ENGINEERED: YES;                                                     
*COMPND  10 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA;                        
*SOURCE   3 ORGANISM_COMMON: MALAYAN PIT VIPER;                                  
*SOURCE   4 ORGANISM_TAXID: 8717;                                                
*SOURCE   5 GENE: RHOD;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS;                            
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: PICHIA PASTORIS;                           
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 4922;                                       
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PPICZ ALPHA A                              
*KEYWDS    RHODOSTOMIN MUTANT PROTEIN, HYDROLASE                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    W.CHUANG, Y.CHANG, J.SHIU                                             
*REVDAT   1   22-MAY-13 2M75    0                                                


!sequencial NOE (NHi-NHi+1,CAi-HN+1)

assign ( resid 2 and name hn ) ( resid 3 and name hn ) 4.20 1.80 1.80
assign ( resid 3 and name hn ) ( resid 4 and name hn ) 3.20 1.40 1.80
assign ( resid 4 and name hn ) ( resid 5 and name hn ) 3.20 1.40 1.80
assign ( resid 5 and name hn ) ( resid 6 and name hn ) 3.20 1.40 1.80
assign ( resid 6 and name hn ) ( resid 7 and name hn ) 4.20 1.80 1.80
assign ( resid 7 and name hn ) ( resid 8 and name hn ) 3.20 1.40 1.80
assign ( resid 10 and name hn ) ( resid 11 and name hn ) 2.60 0.80 0.80
assign ( resid 13 and name hn ) ( resid 14 and name hn ) 3.20 1.40 1.80
assign ( resid 14 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
assign ( resid 15 and name hn ) ( resid 16 and name hn ) 3.20 1.40 1.80
assign ( resid 16 and name hn ) ( resid 17 and name hn ) 3.20 1.40 1.80
assign ( resid 17 and name hn ) ( resid 18 and name hn ) 2.60 0.80 0.80
assign ( resid 18 and name hn ) ( resid 19 and name hn ) 2.60 0.80 0.80
assign ( resid 19 and name hn ) ( resid 20 and name hn ) 3.20 1.40 1.80
assign ( resid 20 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80
assign ( resid 21 and name hn ) ( resid 22 and name hn ) 4.20 1.80 1.80
assign ( resid 24 and name hn ) ( resid 25 and name hn ) 3.20 1.40 1.80
assign ( resid 25 and name hn ) ( resid 26 and name hn ) 3.20 1.40 1.80
assign ( resid 26 and name hn ) ( resid 27 and name hn ) 2.60 0.80 0.80
assign ( resid 27 and name hn ) ( resid 28 and name hn ) 4.20 1.80 1.80
assign ( resid 28 and name hn ) ( resid 29 and name hn ) 2.60 0.80 0.80
assign ( resid 29 and name hn ) ( resid 30 and name hn ) 4.20 1.80 1.80
assign ( resid 30 and name hn ) ( resid 31 and name hn ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 32 and name hn ) 3.20 1.40 1.80
assign ( resid 32 and name hn ) ( resid 33 and name hn ) 3.20 1.40 1.80
assign ( resid 33 and name hn ) ( resid 34 and name hn ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 35 and name hn ) 4.20 1.80 1.80
assign ( resid 35 and name hn ) ( resid 36 and name hn ) 3.20 1.40 1.80
assign ( resid 36 and name hn ) ( resid 37 and name hn ) 3.20 1.40 1.80
assign ( resid 37 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
assign ( resid 38 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
assign ( resid 39 and name hn ) ( resid 40 and name hn ) 4.20 1.80 1.80
assign ( resid 42 and name hn ) ( resid 43 and name hn ) 3.20 1.40 1.80
assign ( resid 43 and name hn ) ( resid 44 and name hn ) 4.20 1.80 1.80
assign ( resid 44 and name hn ) ( resid 45 and name hn ) 4.20 1.80 1.80
assign ( resid 45 and name hn ) ( resid 46 and name hn ) 3.20 1.40 1.80
assign ( resid 46 and name hn ) ( resid 47 and name hn ) 3.20 1.40 1.80
assign ( resid 47 and name hn ) ( resid 48 and name hn ) 4.20 1.80 1.80
assign ( resid 48 and name hn ) ( resid 49 and name hn ) 4.20 1.80 1.80
assign ( resid 50 and name hn ) ( resid 51 and name hn ) 4.20 1.80 1.80
assign ( resid 51 and name hn ) ( resid 52 and name hn ) 4.20 1.80 1.80
assign ( resid 52 and name hn ) ( resid 53 and name hn ) 3.20 1.40 1.80
assign ( resid 53 and name hn ) ( resid 54 and name hn ) 3.20 1.40 1.80
assign ( resid 54 and name hn ) ( resid 55 and name hn ) 3.20 1.40 1.80
assign ( resid 56 and name hn ) ( resid 57 and name hn ) 4.20 1.80 1.80
assign ( resid 57 and name hn ) ( resid 58 and name hn ) 4.20 1.80 1.80
assign ( resid 58 and name hn ) ( resid 59 and name hn ) 3.20 1.40 1.80
assign ( resid 59 and name hn ) ( resid 60 and name hn ) 3.20 1.40 1.80
assign ( resid 60 and name hn ) ( resid 61 and name hn ) 2.60 0.80 0.80
assign ( resid 61 and name hn ) ( resid 62 and name hn ) 4.20 1.80 1.80
assign ( resid 62 and name hn ) ( resid 63 and name hn ) 3.20 1.40 1.80
assign ( resid 63 and name hn ) ( resid 64 and name hn ) 4.20 1.80 1.80
assign ( resid 66 and name hn ) ( resid 67 and name hn ) 3.20 1.40 1.80
assign ( resid 67 and name hn ) ( resid 68 and name hn ) 3.20 1.40 1.80
assign ( resid 3 and name hn ) ( resid 2 and name ha ) 2.60 0.80 0.80
assign ( resid 4 and name hn ) ( resid 3 and name ha ) 2.60 0.80 0.80
assign ( resid 5 and name hn ) ( resid 4 and name ha ) 2.60 0.80 0.80 
assign ( resid 7 and name hn ) ( resid 6 and name ha ) 3.20 1.40 1.80
assign ( resid 8 and name hn ) ( resid 7 and name ha ) 3.20 1.40 1.80
assign ( resid 10 and name hn ) ( resid 9 and name ha ) 3.20 1.40 1.80
assign ( resid 11 and name hn ) ( resid 10 and name ha ) 3.20 1.40 1.80
assign ( resid 13 and name hn ) ( resid 12 and name ha ) 3.20 1.40 1.80
assign ( resid 14 and name hn ) ( resid 13 and name ha ) 3.20 1.40 1.80
assign ( resid 15 and name hn ) ( resid 14 and name ha ) 2.60 0.80 0.80
assign ( resid 16 and name hn ) ( resid 15 and name ha ) 2.60 0.80 0.80
assign ( resid 17 and name hn ) ( resid 16 and name ha ) 3.20 1.40 1.80
assign ( resid 20 and name hn ) ( resid 19 and name ha ) 3.20 1.40 1.80
assign ( resid 21 and name hn ) ( resid 20 and name ha ) 2.60 0.80 0.80 
assign ( resid 22 and name hn ) ( resid 21 and name ha ) 3.20 1.40 1.80
assign ( resid 24 and name hn ) ( resid 23 and name ha ) 2.60 0.80 0.80
assign ( resid 26 and name hn ) ( resid 25 and name ha ) 2.60 0.80 0.80
assign ( resid 27 and name hn ) ( resid 26 and name ha ) 3.20 1.40 1.80
assign ( resid 28 and name hn ) ( resid 27 and name ha ) 2.60 0.80 0.80
assign ( resid 30 and name hn ) ( resid 29 and name ha ) 2.60 0.80 0.80
assign ( resid 32 and name hn ) ( resid 31 and name ha ) 3.20 1.40 1.80
assign ( resid 33 and name hn ) ( resid 32 and name ha ) 3.20 1.40 1.80
assign ( resid 34 and name hn ) ( resid 33 and name ha ) 2.60 0.80 0.80
assign ( resid 35 and name hn ) ( resid 34 and name ha ) 2.60 0.80 0.80 
assign ( resid 36 and name hn ) ( resid 35 and name ha ) 3.20 1.40 1.80
assign ( resid 37 and name hn ) ( resid 36 and name ha ) 3.20 1.40 1.80
assign ( resid 38 and name hn ) ( resid 37 and name ha ) 2.60 0.80 0.80
assign ( resid 39 and name hn ) ( resid 38 and name ha ) 2.60 0.80 0.80
assign ( resid 40 and name hn ) ( resid 39 and name ha ) 2.60 0.80 0.80
assign ( resid 41 and name hn ) ( resid 40 and name ha ) 3.20 1.40 1.80
assign ( resid 42 and name hn ) ( resid 41 and name ha ) 2.60 0.80 0.80
!assign ( resid 44 and name hn ) ( resid 43 and name ha ) 2.60 0.80 0.80
assign ( resid 44 and name hn ) ( resid 43 and name ha ) 3.20 1.40 1.80
assign ( resid 45 and name hn ) ( resid 44 and name ha ) 2.60 0.80 0.80
assign ( resid 46 and name hn ) ( resid 45 and name ha ) 3.20 1.40 1.80
assign ( resid 47 and name hn ) ( resid 46 and name ha ) 3.20 1.40 1.80
assign ( resid 48 and name hn ) ( resid 47 and name ha ) 2.60 0.80 0.80
assign ( resid 49 and name hn ) ( resid 48 and name ha ) 2.60 0.80 0.80
assign ( resid 50 and name hn ) ( resid 49 and name ha ) 2.60 0.80 0.80
assign ( resid 52 and name hn ) ( resid 51 and name ha ) 2.60 0.80 0.80
assign ( resid 53 and name hn ) ( resid 52 and name ha ) 2.60 0.80 0.80
assign ( resid 54 and name hn ) ( resid 53 and name ha ) 2.60 0.80 0.80
assign ( resid 55 and name hn ) ( resid 54 and name ha ) 2.60 0.80 0.80
assign ( resid 56 and name hn ) ( resid 55 and name ha ) 2.60 0.80 0.80
assign ( resid 57 and name hn ) ( resid 56 and name ha ) 2.60 0.80 0.80
assign ( resid 58 and name hn ) ( resid 57 and name ha ) 2.60 0.80 0.80
assign ( resid 61 and name hn ) ( resid 60 and name ha ) 3.20 1.40 1.80
assign ( resid 62 and name hn ) ( resid 61 and name ha ) 3.20 1.40 1.80
assign ( resid 64 and name hn ) ( resid 63 and name ha ) 2.60 0.80 0.80
!assign ( resid 68 and name hn ) ( resid 67 and name ha ) 2.60 0.80 0.80
assign ( resid 68 and name hn ) ( resid 67 and name ha ) 3.20 1.40 1.80
assign ( resid 25 and name hn ) ( resid 24 and name ha2 ) 3.20 1.40 1.80
assign ( resid 29 and name hn ) ( resid 28 and name ha2 ) 3.20 1.40 1.80
assign ( resid 31 and name hn ) ( resid 30 and name ha2 ) 2.60 0.80 0.80
assign ( resid 43 and name hn ) ( resid 42 and name ha2 ) 3.20 1.40 1.80
assign ( resid 25 and name hn ) ( resid 24 and name ha1 ) 3.20 1.40 1.80
assign ( resid 29 and name hn ) ( resid 28 and name ha1 ) 3.20 1.40 1.80
assign ( resid 31 and name hn ) ( resid 30 and name ha1 ) 2.60 0.80 0.80
assign ( resid 2 and name hn ) ( resid 1 and name ha* ) 2.60 0.80 0.80
assign ( resid 51 and name hn ) ( resid 50 and name ha1 ) 2.60 0.80 0.80
assign ( resid 51 and name hn ) ( resid 50 and name ha2 ) 2.60 0.80 0.80
assign ( resid 43 and name hn ) ( resid 42 and name ha1 ) 3.20 1.40 1.80

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

 assign ( resid 5 and name hn ) ( resid 20 and name hn ) 4.20 1.80 1.80
 assign ( resid 5 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80 
 assign ( resid 6 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80
 assign ( resid 15 and name hn ) ( resid 22 and name hn ) 3.20 1.40 1.80
 assign ( resid 20 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
!assign ( resid 22 and name hn ) ( resid 13 and name hn ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 14 and name hn ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 36 and name hn ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 26 and name hn ) 4.20 1.80 1.80
!assign ( resid 41 and name hn ) ( resid 59 and name hn ) 2.60 0.80 0.80
 assign ( resid 42 and name hn ) ( resid 57 and name hn ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 56 and name hn ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name hn ) 3.20 1.40 1.80
!assign ( resid 45 and name hn ) ( resid 56 and name hn ) 4.20 1.80 1.80
 assign ( resid 48 and name hn ) ( resid 55 and name hn ) 4.20 1.80 1.80
 assign ( resid 48 and name hn ) ( resid 54 and name ha ) 3.20 1.40 1.80
 assign ( resid 48 and name hn ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 48 and name hn ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 53 and name hb1 ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 assign ( resid 53 and name hb2 ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 assign ( resid 55 and name hn ) ( resid 46 and name hn ) 4.20 1.80 1.80
 assign ( resid 7 and name hn ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name hg2 ) 3.20 1.40 1.80 
 assign ( resid 38 and name hn ) ( resid 26 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 65 and name hg* ) 4.50 2.00 2.50
 assign ( resid 13 and name hn ) ( resid 25 and name hb* ) 4.50 2.00 2.50 
 assign ( resid 27 and name hn ) ( resid 21 and name hg ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 21 and name hg ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 29 and name hn ) ( resid 21 and name hg ) 4.20 1.80 1.80  
!assign ( resid 5 and name hn ) ( resid 21 and name hd2* ) 4.50 2.00 2.50 
!assign ( resid 6 and name hn ) ( resid 21 and name hd2* ) 4.50 2.00 2.50  !????
!assign ( resid 13 and name hn ) ( resid 21 and name hd2* ) 4.50 2.00 2.50  !????
!assign ( resid 14 and name hn ) ( resid 21 and name hd2* ) 4.50 2.00 2.50  !????
!assign ( resid 15 and name hn ) ( resid 21 and name hd2* ) 4.50 2.00 2.50  !????
 assign ( resid 27 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
 assign ( resid 29 and name hn ) ( resid 21 and name hd22 ) 4.20 1.80 1.80  !?????21hd22 4.20 1.80 1.80
 assign ( resid 44 and name hn ) ( resid 56 and name hd2 ) 4.20 1.80 1.80
!assign ( resid 5 and name hn ) ( resid 21 and name hd1* ) 4.50 2.00 2.50
 assign ( resid 27 and name hn ) ( resid 21 and name hd1* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 21 and name hd1* ) 3.40 1.60 2.60
 assign ( resid 29 and name hn ) ( resid 21 and name hd12 ) 4.20 1.80 1.80  !?????21hd12 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 65 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 46 and name hn ) ( resid 31 and name hd* ) 4.50 2.00 2.50
!assign ( resid 54 and name hn ) ( resid 44 and name hd* ) 4.50 2.00 2.50
!assign ( resid 62 and name hn ) ( resid 27 and name hb1 ) 4.20 1.80 1.80  !????
!assign ( resid 62 and name hn ) ( resid 27 and name hb2 ) 4.20 1.80 1.80  !????
 assign ( resid 64 and name hn ) ( resid 31 and name hd* ) 4.20 1.80 3.20
 assign ( resid 5 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 5 and name hn ) ( resid 20 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 6 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80 
 assign ( resid 22 and name hn ) ( resid 14 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 25 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 38 and name hb2 ) 4.20 1.80 1.80  
 assign ( resid 28 and name hn ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 64 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 37 and name hn ) ( resid 26 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 39 and name hn ) ( resid 32 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 39 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 41 and name hn ) ( resid 57 and name hb2 ) 4.20 1.80 1.80 
 assign ( resid 42 and name hn ) ( resid 56 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 45 and name hn ) ( resid 56 and name hb* ) 3.40 1.60 2.60 
 assign ( resid 61 and name hn ) ( resid 38 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name hn ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 67 and name hn ) ( resid 66 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 5 and name hn ) ( resid 19 and name hb1 ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 5 and name hn ) ( resid 20 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 6 and name hn ) ( resid 19 and name hb1 ) 4.20 1.80 1.80  
 assign ( resid 7 and name hn ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 14 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 25 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 36 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 31 and name hn ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 32 and name hn ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 37 and name hn ) ( resid 26 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 45 and name hn ) ( resid 56 and name hg* ) 3.40 1.60 2.60
!assign ( resid 58 and name hn ) ( resid 65 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 61 and name hn ) ( resid 38 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 64 and name hn ) ( resid 31 and name hb1 ) 3.20 1.40 1.80
!assign ( resid 15 and name hn ) ( resid 21 and name hb* ) 4.50 2.00 2.50
 assign ( resid 20 and name hn ) ( resid 5 and name hb* ) 4.50 2.00 2.50
 assign ( resid 20 and name hn ) ( resid 14 and name hb* ) 4.50 2.00 2.50
 assign ( resid 20 and name hn ) ( resid 15 and name hb* ) 3.40 1.60 2.60
 assign ( resid 21 and name hn ) ( resid 5 and name hb* ) 3.40 1.60 2.60
!assign ( resid 27 and name hn ) ( resid 21 and name hb* ) 4.50 2.00 2.50
!assign ( resid 27 and name hn ) ( resid 62 and name hb* ) 4.50 2.00 2.50
 assign ( resid 28 and name hn ) ( resid 21 and name hb* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 29 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 46 and name hn ) ( resid 54 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 46 and name hn ) ( resid 54 and name hb2 ) 4.50 2.00 2.50
 assign ( resid 46 and name hn ) ( resid 55 and name hb2 ) 3.40 1.60 2.60
 assign ( resid 59 and name hn ) ( resid 41 and name hb* ) 3.40 1.60 2.60
 assign ( resid 60 and name hn ) ( resid 41 and name hb* ) 4.50 2.00 2.50
!assign ( resid 68 and name hn ) ( resid 54 and name hb* ) 4.50 2.00 2.50
 assign ( resid 13 and name hn ) ( resid 28 and name ha2 ) 4.20 1.80 1.80 
!assign ( resid 33 and name hn ) ( resid 28 and name ha* ) 4.50 2.00 2.50
 assign ( resid 57 and name hn ) ( resid 42 and name ha* ) 4.50 2.00 2.50
 assign ( resid 5 and name hn ) ( resid 19 and name ha ) 4.20 1.80 1.80  
 assign ( resid 6 and name hn ) ( resid 19 and name ha ) 4.50 2.00 2.50  
 assign ( resid 14 and name hn ) ( resid 21 and name ha ) 4.20 1.80 1.80 
!assign ( resid 20 and name hn ) ( resid 5 and name ha ) 3.20 1.40 1.80
 assign ( resid 20 and name hn ) ( resid 14 and name ha ) 4.20 1.80 1.80
 assign ( resid 21 and name hn ) ( resid 14 and name ha ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 14 and name ha ) 2.60 0.80 0.80 
 assign ( resid 26 and name hn ) ( resid 37 and name ha ) 3.20 1.40 1.80
 assign ( resid 27 and name hn ) ( resid 37 and name ha ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 21 and name ha ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 64 and name ha ) 4.20 1.80 1.80
 assign ( resid 32 and name hn ) ( resid 63 and name ha ) 3.20 1.40 1.80
 assign ( resid 34 and name hn ) ( resid 39 and name ha ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 25 and name ha ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name ha ) 4.20 1.80 1.80 
!assign ( resid 38 and name hn ) ( resid 27 and name ha ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 39 and name hn ) ( resid 33 and name ha ) 3.20 1.40 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name ha ) 3.20 1.40 1.80
 assign ( resid 44 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80
 assign ( resid 45 and name hn ) ( resid 56 and name ha ) 3.20 1.40 1.80
 assign ( resid 46 and name hn ) ( resid 54 and name ha ) 4.20 1.80 1.80
 assign ( resid 46 and name hn ) ( resid 55 and name ha ) 4.20 1.80 1.80 
 assign ( resid 46 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80
 assign ( resid 55 and name hn ) ( resid 44 and name ha ) 4.20 1.80 1.80
 assign ( resid 55 and name hn ) ( resid 46 and name hb* ) 4.50 2.00 2.50
 assign ( resid 55 and name hn ) ( resid 48 and name hb* ) 4.20 1.80 1.80
 assign ( resid 55 and name hn ) ( resid 44 and name hg1* ) 4.50 2.00 2.00 
 assign ( resid 55 and name hn ) ( resid 44 and name hd1* ) 4.50 2.00 2.00
 assign ( resid 55 and name hn ) ( resid 44 and name hg* ) 4.50 2.00 2.00
 assign ( resid 53 and name hn ) ( resid 48 and name hb* ) 4.50 2.00 2.00
 assign ( resid 56 and name hn ) ( resid 44 and name ha ) 4.20 1.80 1.80
 assign ( resid 57 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
 assign ( resid 57 and name hn ) ( resid 44 and name ha ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 64 and name ha ) 4.20 1.80 1.80
 assign ( resid 60 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
 assign ( resid 64 and name hn ) ( resid 31 and name ha ) 4.20 1.80 1.80
!assign ( resid 64 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
!assign ( resid 67 and name hn ) ( resid 55 and name ha ) 4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
 assign ( resid 3 and name ha ) ( resid 20 and name hd* ) 3.40 1.60 2.60
 assign ( resid 3 and name ha ) ( resid 20 and name hg* ) 2.60 0.80 0.80 
 assign ( resid 4 and name ha ) ( resid 19 and name ha ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 4 and name ha ) ( resid 19 and name hb1 ) 2.60 0.80 0.80  !?????2.60 0.80 0.80
 assign ( resid 4 and name ha ) ( resid 19 and name hb2 ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 4 and name ha ) ( resid 20 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 4 and name ha ) ( resid 20 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 4 and name ha ) ( resid 20 and name hg* ) 3.20 1.40 1.80 
 assign ( resid 4 and name hb1 ) ( resid 19 and name hb2 ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 5 and name ha ) ( resid 20 and name hb1 ) 4.20 1.80 1.80 
!assign ( resid 5 and name ha ) ( resid 21 and name hd2* ) 4.50 2.00 2.50
 assign ( resid 5 and name ha ) ( resid 21 and name hd11 ) 4.20 1.80 1.80  !?????21hd11 4.20 1.80 1.80
 assign ( resid 5 and name hb* ) ( resid 20 and name hb1 ) 2.60 0.80 0.80 
 assign ( resid 5 and name hb* ) ( resid 21 and name hg ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 5 and name hb* ) ( resid 21 and name hd1* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
!assign ( resid 5 and name hb* ) ( resid 21 and name hd2* ) 4.20 1.80 2.80
 assign ( resid 6 and name ha ) ( resid 28 and name ha1 ) 4.20 1.80 1.80
 assign ( resid 6 and name ha ) ( resid 28 and name ha2 ) 4.50 2.00 2.50
 assign ( resid 6 and name ha ) ( resid 14 and name hb* ) 4.50 2.00 2.50
 assign ( resid 6 and name ha ) ( resid 29 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 6 and name ha ) ( resid 29 and name hg* ) 3.40 1.60 2.60
!assign ( resid 6 and name hb2 ) ( resid 21 and name hd2* ) 4.50 2.00 2.50
!assign ( resid 7 and name ha ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 9 and name ha ) ( resid 16 and name ha ) 3.20 1.40 1.80  
 assign ( resid 9 and name ha ) ( resid 14 and name hb* ) 4.50 2.00 2.50 
 assign ( resid 9 and name ha ) ( resid 16 and name hb* ) 3.40 1.60 2.60 
 assign ( resid 9 and name hb1 ) ( resid 16 and name hb* ) 3.40 1.60 2.60
 assign ( resid 13 and name ha ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 13 and name ha ) ( resid 21 and name hg ) 4.20 1.80 1.80
!assign ( resid 13 and name ha ) ( resid 21 and name hb* ) 4.50 2.00 2.50
!assign ( resid 13 and name ha ) ( resid 21 and name hd1* ) 4.50 2.00 2.50 
 assign ( resid 13 and name ha ) ( resid 21 and name hd2* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 13 and name hb1 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80 
!assign ( resid 13 and name hb1 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 13 and name hb1 ) ( resid 29 and name hg* ) 4.50 2.00 2.50
!assign ( resid 13 and name hb1 ) ( resid 21 and name hd1* ) 4.50 2.00 2.50
 assign ( resid 13 and name hb1 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
 assign ( resid 13 and name hb2 ) ( resid 25 and name hb* ) 3.40 1.60 2.60
 assign ( resid 14 and name ha ) ( resid 22 and name ha ) 3.20 1.40 1.80  
 assign ( resid 14 and name ha ) ( resid 21 and name ha ) 3.20 1.40 1.80
 assign ( resid 14 and name ha ) ( resid 6 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 22 and name hb* ) 3.40 1.60 2.60
 assign ( resid 14 and name ha ) ( resid 21 and name hg ) 3.20 1.40 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hb* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hd12 ) 4.20 1.80 1.80  !?????21hd12 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hd2* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 14 and name hb* ) ( resid 21 and name hg ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 14 and name hb1 ) ( resid 21 and name hd22 ) 4.20 1.80 1.80  !?????14hb1.21hd22 4.20 1.80 1.80
 assign ( resid 15 and name hb2 ) ( resid 20 and name hb* ) 3.40 1.60 2.60
 assign ( resid 15 and name hb2 ) ( resid 20 and name hg* ) 4.50 2.00 2.50
!assign ( resid 15 and name hb2 ) ( resid 21 and name hb* ) 4.50 2.00 2.50
 assign ( resid 16 and name ha ) ( resid 9 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 19 and name ha ) ( resid 4 and name hb1 ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 19 and name hb1 ) ( resid 4 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 19 and name ha ) ( resid 14 and name hb* ) 3.40 1.60 2.60
 assign ( resid 19 and name hb2 ) ( resid 4 and name hb2 ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 20 and name ha ) ( resid 4 and name hb1 ) 4.50 2.00 2.50 
 assign ( resid 20 and name ha ) ( resid 5 and name hb* ) 3.20 1.40 1.80 
 assign ( resid 21 and name ha ) ( resid 15 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 21 and name ha ) ( resid 15 and name hb2 ) 4.20 1.80 1.80 
 assign ( resid 21 and name ha ) ( resid 14 and name hb* ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 25 and name ha ) ( resid 36 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 25 and name ha ) ( resid 36 and name hb2 ) 3.20 1.40 1.80 
 assign ( resid 25 and name ha ) ( resid 37 and name he* ) 3.40 1.60 2.60 
!assign ( resid 26 and name ha ) ( resid 21 and name hb* ) 4.50 2.00 2.50 
 assign ( resid 26 and name ha ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 21 and name ha ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
!assign ( resid 27 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 27 and name ha ) ( resid 62 and name hb* ) 3.40 1.60 2.60  !????
 assign ( resid 27 and name ha ) ( resid 21 and name hb* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 21 and name hd1* ) 3.20 1.40 1.80  
 assign ( resid 27 and name ha ) ( resid 21 and name hd2* ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 27 and name hb1 ) ( resid 33 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 27 and name hb1 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd12 ) 4.20 1.80 1.80  !?????21hd12 4.20 1.80 1.80
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd22 ) 4.20 1.80 1.80  !?????21hd22 4.20 1.80 1.80
 assign ( resid 27 and name hb2 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
 assign ( resid 27 and name hb2 ) ( resid 21 and name hd1* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 27 and name hb2 ) ( resid 21 and name hd22 ) 4.20 1.80 1.80  !?????21hd22 4.20 1.80 1.80
 assign ( resid 28 and name ha1 ) ( resid 13 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 28 and name ha1 ) ( resid 21 and name hd1* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 28 and name ha1 ) ( resid 21 and name hd2* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 13 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 28 and name ha2 ) ( resid 5 and name hb* ) 4.50 2.00 2.50  
 assign ( resid 28 and name ha2 ) ( resid 13 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 28 and name ha2 ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 21 and name hd1* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
 assign ( resid 30 and name ha1 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
 assign ( resid 30 and name ha2 ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 31 and name ha ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 31 and name ha ) ( resid 47 and name hd* ) 4.50 2.00 2.50
 assign ( resid 32 and name ha ) ( resid 62 and name ha ) 3.20 1.40 1.80
 assign ( resid 32 and name ha ) ( resid 39 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 32 and name ha ) ( resid 39 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 32 and name ha ) ( resid 43 and name he* ) 4.50 2.00 2.50
 assign ( resid 32 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 32 and name ha ) ( resid 60 and name hg* ) 4.50 2.00 2.50
 assign ( resid 32 and name hb2 ) ( resid 62 and name hb* ) 3.40 1.60 2.60 
 assign ( resid 32 and name hb2 ) ( resid 43 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 38 and name ha ) 3.20 1.40 1.80
 assign ( resid 33 and name ha ) ( resid 62 and name ha ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 39 and name ha ) 4.20 1.80 1.80 
 assign ( resid 33 and name ha ) ( resid 27 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 27 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 39 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 33 and name ha ) ( resid 57 and name hb1 ) 4.20 1.80 1.80
!assign ( resid 33 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 36 and name hb1 ) ( resid 13 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 36 and name hb1 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 36 and name hb1 ) ( resid 25 and name hb* ) 2.60 0.80 0.80
 assign ( resid 36 and name hb1 ) ( resid 21 and name hd23 ) 4.20 1.80 1.80  !?????21hd23 4.20 1.80 1.80
 assign ( resid 36 and name hb2 ) ( resid 25 and name hb* ) 2.60 0.80 0.80
!assign ( resid 36 and name hb2 ) ( resid 21 and name hd1* ) 4.50 2.00 2.50
!assign ( resid 36 and name hb2 ) ( resid 21 and name hd2* ) 4.50 2.00 2.50
 assign ( resid 37 and name ha ) ( resid 26 and name ha ) 3.20 1.40 1.80  
 assign ( resid 37 and name ha ) ( resid 26 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 37 and name ha ) ( resid 26 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 38 and name ha ) ( resid 33 and name ha ) 3.20 1.40 1.80
 assign ( resid 38 and name ha ) ( resid 26 and name hb1 ) 4.20 1.80 1.80 
 assign ( resid 38 and name ha ) ( resid 26 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hb2 ) ( resid 60 and name hg* ) 4.50 2.00 2.50
 assign ( resid 39 and name ha ) ( resid 34 and name hg* ) 3.40 1.60 2.60
 assign ( resid 39 and name ha ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 39 and name ha ) ( resid 34 and name hb2 ) 3.20 1.40 1.80
!assign ( resid 39 and name ha ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 39 and name hb2 ) ( resid 57 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 39 and name hb2 ) ( resid 32 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 40 and name ha ) ( resid 59 and name ha1 ) 3.20 1.40 1.80 
 assign ( resid 41 and name ha ) ( resid 57 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 42 and name ha1 ) ( resid 56 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 42 and name ha1 ) ( resid 56 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 42 and name ha2 ) ( resid 56 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 42 and name ha2 ) ( resid 56 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 43 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80 
 assign ( resid 44 and name ha ) ( resid 56 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 44 and name ha ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 44 and name ha ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name ha ) 4.50 2.00 2.50
 assign ( resid 45 and name ha ) ( resid 64 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 64 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name hg ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name hd* ) 4.20 1.80 3.20
 assign ( resid 45 and name hb1 ) ( resid 64 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 45 and name hb1 ) ( resid 31 and name hd* ) 4.20 1.80 3.20
 assign ( resid 46 and name hd* ) ( resid 55 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 46 and name hd* ) ( resid 31 and name hd* ) 5.00 2.50 3.40
 assign ( resid 46 and name hd* ) ( resid 55 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 47 and name ha ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 47 and name ha ) ( resid 54 and name hb1 ) 3.40 1.60 2.10
 assign ( resid 52 and name hd1 ) ( resid 68 and name hb1 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name hd1 ) ( resid 68 and name hb2 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name hz2 ) ( resid 68 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 52 and name hz2 ) ( resid 68 and name hb2 ) 4.50 2.00 2.50
 assign ( resid 54 and name ha ) ( resid 48 and name ha ) 3.20 1.40 1.80
 assign ( resid 54 and name ha ) ( resid 48 and name hb* ) 3.20 1.40 1.80
 assign ( resid 54 and name ha ) ( resid 47 and name ha ) 4.50 2.00 2.00
 !assign ( resid 54 and name ha ) ( resid 47 and name hb ) 4.20 1.80 1.80
 !assign ( resid 54 and name ha ) ( resid 47 and name hg11 ) 4.20 1.80 1.80
 !assign ( resid 54 and name ha ) ( resid 47 and name hg12 ) 4.20 1.80 1.80
 assign ( resid 54 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 !assign ( resid 54 and name ha ) ( resid 47 and name hd* ) 4.50 2.00 2.50
 assign ( resid 54 and name ha ) ( resid 44 and name hg1* ) 4.50 2.00 2.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hb* ) 4.20 1.80 1.80
 assign ( resid 54 and name hb1 ) ( resid 44 and name hg1* ) 4.20 1.80 1.80
 assign ( resid 54 and name hb2 ) ( resid 44 and name hg1* ) 4.20 1.80 1.80
 assign ( resid 54 and name hb1 ) ( resid 44 and name hb* ) 4.20 1.80 1.80
 assign ( resid 54 and name hb2 ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hd* ) 2.60 0.80 0.80
 assign ( resid 54 and name hb2 ) ( resid 44 and name hd* ) 2.60 0.80 0.80
!assign ( resid 55 and name ha ) ( resid 44 and name hd* ) 4.50 2.00 2.50
 assign ( resid 55 and name ha ) ( resid 66 and name ha ) 4.50 2.00 2.50  
 assign ( resid 55 and name ha ) ( resid 46 and name hb* ) 3.40 1.60 2.60
 assign ( resid 55 and name hb1 ) ( resid 46 and name hb* ) 3.40 1.60 2.60
 assign ( resid 55 and name hb2 ) ( resid 46 and name hb* ) 3.40 1.60 2.60
!assign ( resid 55 and name hb1 ) ( resid 44 and name hd* ) 4.50 2.00 2.50
 assign ( resid 56 and name ha ) ( resid 42 and name ha1 ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 42 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 44 and name ha ) 2.60 0.80 0.80
 assign ( resid 56 and name ha ) ( resid 41 and name ha ) 4.20 1.80 1.80  
!assign ( resid 56 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 44 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 56 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 56 and name hd1 ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 57 and name ha ) ( resid 64 and name ha ) 3.20 1.40 1.80
 assign ( resid 57 and name ha ) ( resid 65 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 57 and name ha ) ( resid 65 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 57 and name ha ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 65 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 65 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 43 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 57 and name hb1 ) ( resid 43 and name hg1 ) 3.20 1.40 1.80
!assign ( resid 57 and name hb1 ) ( resid 31 and name hd* ) 3.40 1.60 2.60
 assign ( resid 57 and name hb1 ) ( resid 41 and name hb* ) 4.50 2.00 2.50 
 assign ( resid 57 and name hb2 ) ( resid 43 and name hb* ) 3.40 1.60 2.60
 assign ( resid 57 and name hb2 ) ( resid 43 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 57 and name hb2 ) ( resid 43 and name hg2 ) 3.20 1.40 1.80
 assign ( resid 57 and name hb2 ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 58 and name hb) ( resid 41 and name hb* ) 3.40 1.60 2.60
 assign ( resid 59 and name ha1 ) ( resid 41 and name ha ) 3.20 1.40 1.80
 assign ( resid 59 and name ha1 ) ( resid 41 and name hb* ) 2.60 0.80 0.80 
 assign ( resid 62 and name ha ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 62 and name ha ) ( resid 32 and name ha ) 3.20 1.40 1.80
 assign ( resid 62 and name ha ) ( resid 32 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 62 and name ha ) ( resid 32 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 63 and name ha ) ( resid 31 and name hb1 ) 4.20 1.80 1.80  !?????31hb1
!assign ( resid 61 and name ha ) ( resid 31 and name hd* ) 4.50 2.00 2.50
!assign ( resid 61 and name ha ) ( resid 31 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 63 and name ha ) ( resid 31 and name hg ) 3.20 1.40 1.80
!assign ( resid 63 and name hb1 ) ( resid 31 and name hb1 ) 4.20 1.80 1.80  !????
!assign ( resid 63 and name hb1 ) ( resid 31 and name hd* ) 5.00 2.50 3.40  !????
 assign ( resid 64 and name ha ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 58 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 64 and name ha ) ( resid 31 and name hd* ) 4.20 1.80 3.20
 assign ( resid 64 and name ha ) ( resid 57 and name ha ) 3.20 1.40 1.80
 assign ( resid 64 and name hb2 ) ( resid 31 and name hg ) 3.20 1.40 1.80
 assign ( resid 64 and name hb2 ) ( resid 31 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 64 and name hb2 ) ( resid 31 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 64 and name hb2 ) ( resid 31 and name hd* ) 3.40 1.60 1.80
 assign ( resid 65 and name hd1 ) ( resid 58 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 65 and name hd2 ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd2 ) ( resid 58 and name hg2 ) 3.40 1.60 2.60
 assign ( resid 65 and name hd1 ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd1 ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 26 and name he21 ) ( resid 38 and name he* ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 26 and name ha ) 4.50 2.00 2.50 
!assign ( resid 38 and name hd* ) ( resid 26 and name hg1 ) 5.00 2.50 3.40  !????
!assign ( resid 38 and name hd* ) ( resid 26 and name hg2 ) 4.20 1.80 3.20  !????
 assign ( resid 38 and name hd* ) ( resid 26 and name hb1 ) 4.50 2.00 2.00  !?????4.50 2.00 2.00
 assign ( resid 38 and name hd* ) ( resid 26 and name hb2 ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 26 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name he* ) ( resid 26 and name he21 ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 26 and name hg2 ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 26 and name hb1 ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 26 and name hb2 ) 4.20 1.80 3.20
 assign ( resid 38 and name hd* ) ( resid 27 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name hd* ) ( resid 27 and name ha ) 4.50 2.00 2.50 
 assign ( resid 38 and name hd* ) ( resid 27 and name hb1 ) 4.20 1.80 3.20
!assign ( resid 38 and name hd* ) ( resid 27 and name hb2 ) 4.20 1.80 3.20  !????
 assign ( resid 38 and name he* ) ( resid 27 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name he* ) ( resid 27 and name hb1 ) 3.40 1.60 1.80
 assign ( resid 38 and name hd* ) ( resid 33 and name ha ) 4.20 1.80 3.20
!assign ( resid 38 and name hd* ) ( resid 33 and name hb2 ) 5.00 2.50 3.40  !????
 assign ( resid 38 and name he* ) ( resid 33 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 60 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name hd* ) ( resid 60 and name ha ) 3.40 1.60 1.80 
 assign ( resid 38 and name he* ) ( resid 60 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name hd* ) ( resid 61 and name hn ) 4.50 2.00 2.50
!assign ( resid 38 and name hd* ) ( resid 61 and name hb2 ) 5.00 2.50 3.40  !????
 assign ( resid 38 and name he* ) ( resid 61 and name ha ) 4.50 2.00 2.50
 assign ( resid 38 and name he* ) ( resid 61 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 38 and name he* ) ( resid 61 and name hn ) 4.50 2.00 2.50 
 assign ( resid 38 and name hd* ) ( resid 61 and name ha ) 4.50 2.00 2.50
 assign ( resid 38 and name he* ) ( resid 60 and name ha ) 3.40 1.60 1.80
 assign ( resid 38 and name hd* ) ( resid 62 and name hn ) 4.20 1.80 3.20
 assign ( resid 38 and name hd* ) ( resid 62 and name ha ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 62 and name hn ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 62 and name ha ) 4.20 1.80 3.20
 assign ( resid 67 and name hd* ) ( resid 53 and name hb2 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 67 and name hd* ) ( resid 53 and name hb1 ) 5.00 2.50 3.40
 assign ( resid 67 and name he* ) ( resid 53 and name hb2 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 67 and name he* ) ( resid 53 and name hb1 ) 5.00 2.50 3.40
!assign ( resid 67 and name hd* ) ( resid 56 and name hn ) 5.00 2.50 3.40
 assign ( resid 68 and name hd2 ) ( resid 52 and name hb2 ) 4.50 2.50 3.00
 assign ( resid 68 and name hd2 ) ( resid 52 and name hb1 ) 4.50 2.50 3.00
 assign ( resid 68 and name he1 ) ( resid 52 and name hb2 ) 4.50 2.50 3.00
 assign ( resid 68 and name he1 ) ( resid 52 and name hb1 ) 4.50 2.50 3.00
 assign ( resid 11 and name hd22 ) ( resid 6 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 6 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 11 and name hd21 ) ( resid 6 and name ha ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 28 and name ha1 ) 3.20 1.40 1.80
 assign ( resid 11 and name hd22 ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 29 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 29 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 26 and name he22 ) ( resid 38 and name hn ) 4.20 1.80 1.80



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

 assign ( resid 4 and name hn ) ( resid 6 and name hn ) 4.20 1.80 1.80
 assign ( resid 8 and name hn ) ( resid 11 and name hn ) 4.20 1.80 1.80
 assign ( resid 13 and name hn ) ( resid 11 and name hn ) 4.20 1.80 1.80
 assign ( resid 16 and name hn ) ( resid 18 and name hn ) 4.20 1.80 1.80
 assign ( resid 18 and name hn ) ( resid 20 and name hn ) 4.20 1.80 1.80
 assign ( resid 19 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
 assign ( resid 19 and name hn ) ( resid 16 and name hn ) 4.20 1.80 1.80
 assign ( resid 25 and name hn ) ( resid 22 and name hn ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 33 and name hn ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 36 and name hn ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 37 and name hn ) 3.20 1.40 1.80
 assign ( resid 34 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
 assign ( resid 35 and name hn ) ( resid 37 and name hn ) 4.20 1.80 1.80
 assign ( resid 40 and name hn ) ( resid 43 and name hn ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 41 and name hn ) 4.20 1.80 1.80
 assign ( resid 46 and name hn ) ( resid 44 and name hn ) 4.20 1.80 1.80
 assign ( resid 50 and name hn ) ( resid 52 and name hn ) 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 60 and name hn ) 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 61 and name hn ) 4.20 1.80 1.80
 assign ( resid 59 and name hn ) ( resid 61 and name hn ) 3.20 1.40 1.80
 assign ( resid 45 and name hn ) ( resid 44 and name hg2* ) 4.50 2.00 2.50
 !assign ( resid 49 and name hn ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 27 and name hn ) ( resid 26 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 37 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 44 and name hn ) ( resid 43 and name hg2 ) 3.20 1.40 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hg* ) 3.40 1.60 2.60
 assign ( resid 27 and name hn ) ( resid 26 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 38 and name hn ) ( resid 37 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 44 and name hn ) ( resid 43 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 4 and name hn ) ( resid 2 and name hg* ) 4.50 2.00 2.50
 assign ( resid 15 and name hn ) ( resid 18 and name hg2* ) 4.50 2.00 2.50 
 assign ( resid 17 and name hn ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 19 and name hn ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 21 and name hn ) ( resid 20 and name hg* ) 3.40 1.60 2.60
 assign ( resid 24 and name hn ) ( resid 23 and name hg* ) 4.50 2.00 2.50
 assign ( resid 30 and name hn ) ( resid 29 and name hg* ) 4.50 2.00 2.50
 assign ( resid 36 and name hn ) ( resid 35 and name hg* ) 4.50 2.00 2.50
 assign ( resid 37 and name hn ) ( resid 34 and name hg* ) 3.40 1.60 2.60
 assign ( resid 47 and name hn ) ( resid 46 and name hg1 ) 3.40 1.60 2.60
 assign ( resid 47 and name hg11 ) ( resid 48 and name hb* ) 3.40 1.60 2.10
 !assign ( resid 47 and name hn ) ( resid 43 and name hn ) 3.40 1.60 2.60
 assign ( resid 47 and name hn ) ( resid 46 and name hb* ) 3.40 1.60 2.60
 assign ( resid 47 and name hn ) ( resid 46 and name hg2 ) 3.40 1.60 2.60
 assign ( resid 48 and name hn ) ( resid 46 and name ha ) 4.50 2.00 2.50
 assign ( resid 48 and name hn ) ( resid 47 and name hb ) 3.40 1.60 2.10
 assign ( resid 48 and name hn ) ( resid 47 and name hg11 ) 3.40 1.60 2.60
 assign ( resid 48 and name hn ) ( resid 47 and name hg2* ) 3.40 1.60 2.10
 assign ( resid 48 and name hn ) ( resid 47 and name hd* ) 3.40 1.60 2.60
 assign ( resid 50 and name hn ) ( resid 49 and name hg* ) 4.50 2.00 2.50
 assign ( resid 51 and name hn ) ( resid 48 and name hb* ) 4.20 1.80 1.80
 assign ( resid 52 and name hn ) ( resid 48 and name hb* ) 3.40 1.60 2.10
 assign ( resid 53 and name hn ) ( resid 52 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 53 and name hn ) ( resid 52 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 54 and name hn ) ( resid 53 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 54 and name hn ) ( resid 53 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 59 and name hn ) ( resid 58 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 60 and name hn ) ( resid 58 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 61 and name hn ) ( resid 58 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 66 and name hn ) ( resid 65 and name hg* ) 4.50 2.00 2.50
 assign ( resid 67 and name hn ) ( resid 66 and name hg* ) 3.40 1.60 2.60
 assign ( resid 68 and name hn ) ( resid 66 and name hg* ) 4.50 2.00 2.50
!assign ( resid 25 and name hn ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 32 and name hn ) ( resid 31 and name hg ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
 assign ( resid 57 and name hn ) ( resid 56 and name hd2 ) 4.20 1.80 1.80
!assign ( resid 22 and name hn ) ( resid 21 and name hd1* ) 3.40 1.60 2.60
 assign ( resid 13 and name hn ) ( resid 12 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 57 and name hn ) ( resid 56 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 31 and name hd* ) 4.50 2.00 2.50
 assign ( resid 33 and name hn ) ( resid 31 and name hd* ) 4.50 2.00 2.50
 assign ( resid 38 and name hn ) ( resid 37 and name hd* ) 4.50 2.00 2.50
 assign ( resid 41 and name hn ) ( resid 40 and name hd* ) 3.40 1.60 2.60
 assign ( resid 45 and name hn ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 46 and name hn ) ( resid 44 and name hd* ) 3.20 1.40 1.80
 !assign ( resid 50 and name hn ) ( resid 49 and name hd* ) 4.50 2.00 2.50
 assign ( resid 4 and name hn ) ( resid 3 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 5 and name hn ) ( resid 4 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 6 and name hn ) ( resid 4 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 7 and name hn ) ( resid 6 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 8 and name hn ) ( resid 6 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 8 and name hn ) ( resid 11 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 10 and name hn ) ( resid 8 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 10 and name hn ) ( resid 11 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 11 and name hn ) ( resid 10 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 14 and name hn ) ( resid 13 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 15 and name hn ) ( resid 14 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 16 and name hn ) ( resid 15 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 17 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 18 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 19 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 20 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 21 and name hn ) ( resid 20 and name hb2 ) 2.60 0.80 0.80
 assign ( resid 28 and name hn ) ( resid 27 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 29 and name hn ) ( resid 27 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 29 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 30 and name hn ) ( resid 29 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 30 and name hn ) ( resid 33 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 31 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 34 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 37 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 35 and name hn ) ( resid 34 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 36 and name hn ) ( resid 35 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 35 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 37 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 39 and name hn ) ( resid 38 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 40 and name hn ) ( resid 39 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 56 and name hn ) ( resid 55 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 57 and name hn ) ( resid 56 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 60 and name hn ) ( resid 61 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 61 and name hn ) ( resid 60 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 62 and name hn ) ( resid 61 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 63 and name hn ) ( resid 61 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 68 and name hn ) ( resid 66 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 68 and name hn ) ( resid 67 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 4 and name hn ) ( resid 3 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 5 and name hn ) ( resid 4 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 6 and name hn ) ( resid 4 and name hb1 ) 3.20 1.40 1.80  
 assign ( resid 7 and name hn ) ( resid 6 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 8 and name hn ) ( resid 6 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 8 and name hn ) ( resid 7 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 8 and name hn ) ( resid 11 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 10 and name hn ) ( resid 8 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 10 and name hn ) ( resid 11 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 11 and name hn ) ( resid 10 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 13 and name hn ) ( resid 14 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 14 and name hn ) ( resid 12 and name hg* ) 4.50 2.00 2.50 
 assign ( resid 14 and name hn ) ( resid 13 and name hb1 ) 3.20 1.40 1.80
!assign ( resid 14 and name hn ) ( resid 15 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 15 and name hn ) ( resid 14 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 16 and name hn ) ( resid 15 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 18 and name hn ) ( resid 15 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 19 and name hn ) ( resid 15 and name hb1 ) 2.60 0.80 0.80  !?????2.60 0.80 0.80
 assign ( resid 20 and name hn ) ( resid 19 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 21 and name hn ) ( resid 20 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 27 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 29 and name hn ) ( resid 27 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 29 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 32 and name hn ) ( resid 31 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 35 and name hn ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 36 and name hn ) ( resid 35 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 35 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 37 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 39 and name hn ) ( resid 38 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 40 and name hn ) ( resid 39 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 41 and name hn ) ( resid 40 and name hb* ) 2.60 0.80 0.80
 assign ( resid 55 and name hn ) ( resid 54 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 55 and name hn ) ( resid 54 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 56 and name hn ) ( resid 55 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 57 and name hn ) ( resid 56 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 57 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 60 and name hn ) ( resid 61 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 61 and name hn ) ( resid 60 and name hb1 ) 3.20 1.40 1.80
!assign ( resid 62 and name hn ) ( resid 61 and name hb1 ) 2.60 0.80 0.80
 assign ( resid 63 and name hn ) ( resid 61 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 64 and name hn ) ( resid 63 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 67 and name hn ) ( resid 66 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 68 and name hn ) ( resid 66 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 6 and name hn ) ( resid 5 and name hb* ) 3.40 1.60 2.60
 assign ( resid 11 and name hn ) ( resid 8 and name hb* ) 3.40 1.60 2.60
 assign ( resid 18 and name hn ) ( resid 17 and name hb* ) 2.60 0.80 0.80
 assign ( resid 22 and name hn ) ( resid 21 and name hb* ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 24 and name hn ) ( resid 23 and name hb* ) 3.40 1.60 2.60
 assign ( resid 25 and name hn ) ( resid 21 and name hb* ) 3.40 1.60 2.60
 assign ( resid 25 and name hn ) ( resid 23 and name hb* ) 4.50 2.00 2.50
 assign ( resid 26 and name hn ) ( resid 25 and name hb* ) 3.40 1.60 2.60
 assign ( resid 27 and name hn ) ( resid 26 and name hb* ) 3.40 1.60 2.60
 assign ( resid 42 and name hn ) ( resid 41 and name hb* ) 3.40 1.60 2.60
 assign ( resid 46 and name hn ) ( resid 43 and name hg1 ) 4.50 2.00 2.50
 assign ( resid 46 and name hn ) ( resid 43 and name hg2 ) 4.50 2.00 2.50
 assign ( resid 46 and name hn ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 46 and name hn ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 49 and name hn ) ( resid 48 and name hb* ) 3.40 1.60 2.10
 assign ( resid 50 and name hn ) ( resid 48 and name ha ) 4.50 2.00 2.50
 assign ( resid 50 and name hn ) ( resid 48 and name hb* ) 4.20 1.80 2.00
 assign ( resid 50 and name hn ) ( resid 49 and name hb1 ) 3.40 1.60 2.60
 assign ( resid 50 and name hn ) ( resid 49 and name hb2 ) 3.40 1.60 2.60
 assign ( resid 52 and name hn ) ( resid 51 and name hb1 ) 4.20 1.80 2.00
 assign ( resid 52 and name hn ) ( resid 51 and name hb2 ) 4.20 1.80 2.00
 assign ( resid 52 and name he1 ) ( resid 53 and name hn ) 4.50 2.00 2.20
 assign ( resid 52 and name he1 ) ( resid 49 and name hn ) 3.40 1.60 1.80  !?????3.40 1.60 1.80
 assign ( resid 52 and name he1 ) ( resid 48 and name ha ) 3.40 1.60 1.80  !?????3.40 1.60 1.80
 assign ( resid 52 and name he1 ) ( resid 48 and name hb* ) 3.40 1.60 2.10
 assign ( resid 52 and name hd1 ) ( resid 48 and name ha ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hd1 ) ( resid 50 and name ha1 ) 4.50 2.00 2.20
 assign ( resid 52 and name hd1 ) ( resid 51 and name hb1 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hd1 ) ( resid 51 and name hb2 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hd1 ) ( resid 49 and name hb2 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hd1 ) ( resid 49 and name hg* ) 4.50 2.00 2.20
 assign ( resid 52 and name hd1 ) ( resid 48 and name hb* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 52 and name he3 ) ( resid 48 and name hb* ) 4.50 2.00 2.20
 assign ( resid 52 and name he3 ) ( resid 51 and name ha ) 4.50 2.00 2.20
 assign ( resid 52 and name he3 ) ( resid 48 and name hb* ) 4.50 2.00 2.20
 assign ( resid 52 and name he3 ) ( resid 51 and name hb1 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name he3 ) ( resid 51 and name hb2 ) 4.50 2.00 2.20
 assign ( resid 52 and name he3 ) ( resid 50 and name ha1 ) 4.50 2.00 2.50
 assign ( resid 52 and name hh2 ) ( resid 50 and name ha1 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hh2 ) ( resid 50 and name ha2 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hh2 ) ( resid 49 and name hb2 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hz2 ) ( resid 49 and name ha ) 5.00 2.50 3.00  !?????5.00 2.50 3.00
 assign ( resid 52 and name hz2 ) ( resid 48 and name ha ) 4.50 2.00 2.00
 assign ( resid 52 and name hz2 ) ( resid 50 and name ha1 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hz2 ) ( resid 50 and name ha2 ) 4.50 2.00 2.20  !?????4.50 2.00 2.20
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb1 ) 4.20 1.80 2.00 
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb2 ) 4.20 1.80 2.00 
 assign ( resid 52 and name hz2 ) ( resid 49 and name hg* ) 4.50 2.00 2.50
 assign ( resid 52 and name hz2 ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 assign ( resid 63 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 3.40 1.60 2.60
 assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 3.40 1.60 2.60
 assign ( resid 20 and name hn ) ( resid 18 and name hb ) 3.20 1.40 1.80  
 assign ( resid 45 and name hn ) ( resid 44 and name hb ) 3.20 1.40 1.80
 assign ( resid 46 and name hn ) ( resid 44 and name hb ) 4.20 1.80 1.80
 assign ( resid 60 and name hn ) ( resid 58 and name hb ) 3.20 1.40 1.80
 assign ( resid 61 and name hn ) ( resid 58 and name hb ) 4.20 1.80 1.80
!assign ( resid 27 and name hn ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
!assign ( resid 27 and name hn ) ( resid 28 and name ha1 ) 3.20 1.40 1.80
 assign ( resid 61 and name hn ) ( resid 58 and name ha ) 3.20 1.40 1.80 
!assign ( resid 7 and name hn ) ( resid 5 and name ha ) 2.60 0.80 0.80
 assign ( resid 7 and name hn ) ( resid 8 and name ha ) 4.20 1.80 1.80
 assign ( resid 8 and name hn ) ( resid 6 and name ha ) 3.20 1.40 1.80
 assign ( resid 10 and name hn ) ( resid 8 and name ha ) 4.20 1.80 1.80
 assign ( resid 11 and name hn ) ( resid 9 and name ha ) 3.20 1.40 1.80
 assign ( resid 14 and name hn ) ( resid 12 and name ha ) 4.20 1.80 1.80
 assign ( resid 15 and name hn ) ( resid 19 and name ha ) 4.20 1.80 1.80
 assign ( resid 17 and name hn ) ( resid 15 and name ha ) 3.20 1.40 1.80
 assign ( resid 19 and name hn ) ( resid 16 and name ha ) 3.20 1.40 1.80
 assign ( resid 25 and name hn ) ( resid 23 and name ha ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 29 and name ha ) 4.20 1.80 1.80
 assign ( resid 29 and name hn ) ( resid 27 and name ha ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 30 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 30 and name ha1 ) 3.20 1.40 1.80
 assign ( resid 34 and name hn ) ( resid 35 and name ha ) 4.20 1.80 1.80
!assign ( resid 34 and name hn ) ( resid 36 and name ha ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 38 and name ha ) 4.20 1.80 1.80 
 assign ( resid 36 and name hn ) ( resid 34 and name ha ) 3.20 1.40 1.80
 assign ( resid 37 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 35 and name ha ) 4.20 1.80 1.80
 assign ( resid 39 and name hn ) ( resid 37 and name ha ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 41 and name ha ) 3.20 1.40 1.80
 assign ( resid 43 and name hn ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 46 and name hn ) ( resid 44 and name ha ) 3.20 1.40 1.80
!assign ( resid 47 and name hn ) ( resid 45 and name ha ) 4.20 1.80 1.80
!assign ( resid 55 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80
 assign ( resid 60 and name hn ) ( resid 58 and name ha ) 3.20 1.40 1.80
 assign ( resid 63 and name hn ) ( resid 61 and name ha ) 3.20 1.40 1.80 
 assign ( resid 4 and name ha ) ( resid 3 and name ha ) 4.20 1.80 1.80
 assign ( resid 6 and name ha ) ( resid 7 and name ha ) 4.20 1.80 1.80
 assign ( resid 7 and name ha ) ( resid 4 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 7 and name ha ) ( resid 4 and name hb2 ) 4.20 1.80 1.80 
!assign ( resid 7 and name ha ) ( resid 6 and name hb1 ) 3.20 1.40 1.80 
 assign ( resid 8 and name ha ) ( resid 9 and name ha ) 3.20 1.40 1.80
 assign ( resid 8 and name ha ) ( resid 9 and name hb* ) 3.40 1.60 2.60
 assign ( resid 8 and name ha ) ( resid 10 and name hb* ) 4.50 2.00 2.50
 assign ( resid 8 and name hb2 ) ( resid 11 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 8 and name hb2 ) ( resid 11 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 8 and name hb2 ) ( resid 10 and name hb* ) 4.50 2.00 2.50
 assign ( resid 9 and name ha ) ( resid 8 and name ha ) 3.20 1.40 1.80
 assign ( resid 13 and name ha ) ( resid 14 and name hb* ) 3.40 1.60 2.60
!assign ( resid 13 and name hb1 ) ( resid 11 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 13 and name ha ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 15 and name ha ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 15 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 14 and name ha ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 15 and name ha ) ( resid 14 and name hb* ) 4.20 1.80 1.80
 assign ( resid 15 and name hb1 ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 15 and name hb2 ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 16 and name ha ) ( resid 14 and name hb* ) 4.50 2.00 2.50
 assign ( resid 19 and name ha ) ( resid 16 and name ha ) 4.50 2.00 2.50 
 assign ( resid 20 and name ha ) ( resid 21 and name hd11 ) 4.20 1.80 1.80  !?????21hd11 4.20 1.80 1.80
!assign ( resid 20 and name ha ) ( resid 21 and name hd2* ) 4.50 2.00 2.50
!assign ( resid 23 and name ha ) ( resid 21 and name hb* ) 4.50 2.00 2.50
!assign ( resid 23 and name ha ) ( resid 21 and name hd1* ) 4.50 2.00 2.50
!assign ( resid 23 and name ha ) ( resid 21 and name hd2* ) 4.50 2.00 2.50
 assign ( resid 23 and name hd2 ) ( resid 22 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 23 and name hd2 ) ( resid 22 and name hd2 ) 4.20 1.80 1.80
!assign ( resid 23 and name hd2 ) ( resid 25 and name hb* ) 4.50 2.00 2.50
 assign ( resid 23 and name hd2 ) ( resid 21 and name hb* ) 3.40 1.60 2.60
 assign ( resid 24 and name ha2 ) ( resid 25 and name hb* ) 4.50 2.00 2.50
 assign ( resid 25 and name ha ) ( resid 26 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 25 and name ha ) ( resid 26 and name ha ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 28 and name ha2 ) 3.20 1.40 1.80
 assign ( resid 27 and name hb1 ) ( resid 26 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 27 and name hb1 ) ( resid 26 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 27 and name hb1 ) ( resid 26 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 29 and name hg* ) 4.50 2.00 2.50
 assign ( resid 29 and name ha ) ( resid 33 and name hb1 ) 4.20 1.80 1.80 
 assign ( resid 29 and name ha ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 30 and name ha1 ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 30 and name ha1 ) ( resid 31 and name hd* ) 4.20 1.80 3.20
 assign ( resid 30 and name ha2 ) ( resid 33 and name hb1 ) 4.20 1.80 1.80 
 assign ( resid 32 and name ha ) ( resid 31 and name ha ) 4.20 1.80 1.80
 assign ( resid 32 and name ha ) ( resid 31 and name hd* ) 4.50 2.00 2.50
 assign ( resid 33 and name ha ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 34 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 34 and name hg* ) 4.50 2.00 2.50
 assign ( resid 34 and name ha ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 38 and name ha ) ( resid 37 and name ha ) 4.20 1.80 1.80
 assign ( resid 38 and name ha ) ( resid 39 and name ha ) 3.20 1.40 1.80
 assign ( resid 39 and name hb1 ) ( resid 43 and name he* ) 4.50 2.00 2.50
 assign ( resid 39 and name hb2 ) ( resid 43 and name hd* ) 3.40 1.60 2.60
 assign ( resid 39 and name hb2 ) ( resid 43 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 39 and name hb2 ) ( resid 43 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 40 and name ha ) ( resid 41 and name ha ) 3.20 1.40 1.80
!assign ( resid 40 and name ha ) ( resid 37 and name he* ) 4.50 2.00 2.50
 assign ( resid 40 and name ha ) ( resid 38 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 40 and name ha ) ( resid 41 and name hb* ) 3.40 1.60 2.60
 assign ( resid 42 and name ha2 ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 44 and name ha ) ( resid 42 and name ha2 ) 4.20 1.80 1.80 
 assign ( resid 44 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 46 and name ha ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 44 and name ha ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 43 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 43 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 46 and name hn ) ( resid 47 and name ha ) 4.50 2.00 2.50
 assign ( resid 46 and name hn ) ( resid 44 and name hg1* ) 4.50 2.00 2.50
 assign ( resid 46 and name ha ) ( resid 44 and name ha ) 3.40 1.60 2.60
 assign ( resid 46 and name ha ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 46 and name ha ) ( resid 47 and name hd* ) 4.50 2.00 2.50
 assign ( resid 49 and name ha ) ( resid 47 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 49 and name ha ) ( resid 47 and name hd* ) 4.50 2.00 2.50
 assign ( resid 49 and name ha ) ( resid 50 and name ha1 ) 4.20 1.80 1.80
 assign ( resid 49 and name hd* ) ( resid 47 and name hg2* ) 5.00 2.50 3.00
 assign ( resid 49 and name hd* ) ( resid 47 and name hd* ) 5.00 2.50 3.00
 assign ( resid 49 and name hd* ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 assign ( resid 49 and name hg* ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 assign ( resid 50 and name ha2 ) ( resid 51 and name hb2 ) 4.50 2.00 2.50
 assign ( resid 51 and name ha ) ( resid 50 and name ha1 ) 4.50 2.00 2.50
 !assign ( resid 51 and name ha ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 !assign ( resid 51 and name hb1 ) ( resid 47 and name hb ) 4.50 2.00 2.50
 assign ( resid 52 and name ha ) ( resid 48 and name hb* ) 4.50 2.00 2.00
 assign ( resid 52 and name hb1 ) ( resid 48 and name hb* ) 4.50 2.00 2.00
 assign ( resid 52 and name hb2 ) ( resid 48 and name hb* ) 4.50 2.00 2.00
!assign ( resid 54 and name hb1 ) ( resid 56 and name hg* ) 4.50 2.00 2.50
 assign ( resid 56 and name ha ) ( resid 57 and name ha ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 56 and name ha ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
!assign ( resid 56 and name ha ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 56 and name ha ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 58 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 58 and name hb ) ( resid 60 and name hb* ) 3.40 1.60 2.60 
 assign ( resid 58 and name hb ) ( resid 60 and name hg* ) 3.40 1.60 2.60
!assign ( resid 59 and name ha1 ) ( resid 57 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 59 and name ha1 ) ( resid 60 and name hg* ) 3.40 1.60 2.60
 assign ( resid 63 and name ha ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 63 and name ha ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name ha ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hd1 ) 2.60 0.80 0.80
 assign ( resid 64 and name ha ) ( resid 65 and name hd2 ) 2.60 0.80 0.80
 assign ( resid 64 and name ha ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hg2 ) 3.20 1.40 1.80
 assign ( resid 65 and name ha ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 65 and name ha ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd1 ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd1 ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 65 and name ha ) ( resid 64 and name ha ) 4.20 1.80 1.80
 assign ( resid 65 and name hd2 ) ( resid 64 and name hb1 ) 4.20 1.80 1.80 
 assign ( resid 65 and name hd2 ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hd* ) ( resid 34 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name hd* ) ( resid 37 and name ha ) 4.50 2.00 2.50
 assign ( resid 67 and name hd* ) ( resid 66 and name ha ) 4.50 2.00 2.50
 assign ( resid 67 and name hd* ) ( resid 67 and name hn ) 4.20 1.80 3.20
 assign ( resid 67 and name hd* ) ( resid 68 and name hn ) 4.20 1.80 3.20
 assign ( resid 67 and name he* ) ( resid 65 and name hg2 ) 4.50 2.50 3.00
 assign ( resid 67 and name he* ) ( resid 65 and name hg1 ) 4.50 2.00 2.00
 assign ( resid 67 and name he* ) ( resid 66 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 67 and name hd* ) ( resid 66 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 11 and name hd22 ) ( resid 8 and name hn ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 8 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 8 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 8 and name hn ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 13 and name hn ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 13 and name hn ) 4.20 1.80 1.80
!assign ( resid 22 and name hh* ) ( resid 21 and name hb* ) 4.20 1.80 1.80



!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 ) 3.20 1.40 1.80
  assign ( resid 28 and name hn ) ( resid 28 and name ha2 ) 3.20 1.40 1.80
  assign ( resid 30 and name hn ) ( resid 30 and name ha2 ) 2.60 0.80 0.80
  assign ( resid 42 and name hn ) ( resid 42 and name ha2 ) 3.20 1.40 1.80
  assign ( resid 24 and name hn ) ( resid 24 and name ha1 ) 3.20 1.40 1.80
  assign ( resid 28 and name hn ) ( resid 28 and name ha1 ) 3.20 1.40 1.80
  assign ( resid 30 and name hn ) ( resid 30 and name ha1 ) 3.20 1.40 1.80
  assign ( resid 42 and name hn ) ( resid 42 and name ha1 ) 2.60 0.80 0.80
  assign ( resid 50 and name hn ) ( resid 50 and name ha1 ) 2.60 0.80 0.80
  assign ( resid 50 and name hn ) ( resid 50 and name ha2 ) 2.60 0.80 0.80
  assign ( resid 59 and name hn ) ( resid 59 and name ha* ) 2.60 0.80 0.80
  assign ( resid 4 and name hn ) ( resid 4 and name ha ) 3.20 1.40 1.80
  assign ( resid 5 and name hn ) ( resid 5 and name ha ) 3.20 1.40 1.80
  assign ( resid 6 and name hn ) ( resid 6 and name ha ) 3.20 1.40 1.80
  assign ( resid 7 and name hn ) ( resid 7 and name ha ) 3.20 1.40 1.80
  assign ( resid 8 and name hn ) ( resid 8 and name ha ) 3.20 1.40 1.80
  assign ( resid 10 and name hn ) ( resid 10 and name ha ) 3.20 1.40 1.80
  assign ( resid 11 and name hn ) ( resid 11 and name ha ) 2.60 0.80 0.80
  assign ( resid 13 and name hn ) ( resid 13 and name ha ) 3.20 1.40 1.80
  assign ( resid 14 and name hn ) ( resid 14 and name ha ) 3.20 1.40 1.80
  assign ( resid 15 and name hn ) ( resid 15 and name ha ) 3.20 1.40 1.80
  assign ( resid 16 and name hn ) ( resid 16 and name ha ) 2.60 0.80 0.80
  assign ( resid 18 and name hn ) ( resid 18 and name ha ) 3.20 1.40 1.80
  assign ( resid 19 and name hn ) ( resid 19 and name ha ) 2.60 0.80 0.80
  assign ( resid 20 and name hn ) ( resid 20 and name ha ) 3.20 1.40 1.80
  assign ( resid 21 and name hn ) ( resid 21 and name ha ) 3.20 1.40 1.80
  assign ( resid 25 and name hn ) ( resid 25 and name ha ) 2.60 0.80 0.80
  assign ( resid 27 and name hn ) ( resid 27 and name ha ) 2.60 0.80 0.80
  assign ( resid 29 and name hn ) ( resid 29 and name ha ) 3.20 1.40 1.80
  assign ( resid 31 and name hn ) ( resid 31 and name ha ) 3.20 1.40 1.80
  assign ( resid 32 and name hn ) ( resid 32 and name ha ) 3.20 1.40 1.80
  assign ( resid 33 and name hn ) ( resid 31 and name ha ) 4.20 1.80 1.80
  assign ( resid 33 and name hn ) ( resid 33 and name ha ) 3.20 1.40 1.80
  assign ( resid 34 and name hn ) ( resid 34 and name ha ) 3.20 1.40 1.80
  assign ( resid 35 and name hn ) ( resid 35 and name ha ) 2.60 0.80 0.80
  assign ( resid 36 and name hn ) ( resid 36 and name ha ) 2.60 0.80 0.80
  assign ( resid 37 and name hn ) ( resid 37 and name ha ) 3.20 1.40 1.80
  assign ( resid 38 and name hn ) ( resid 38 and name ha ) 3.20 1.40 1.80
  assign ( resid 39 and name hn ) ( resid 39 and name ha ) 3.20 1.40 1.80
  assign ( resid 40 and name hn ) ( resid 40 and name ha ) 2.60 0.80 0.80
  assign ( resid 41 and name hn ) ( resid 41 and name ha ) 3.20 1.40 1.80
  assign ( resid 43 and name hn ) ( resid 43 and name ha ) 2.60 0.80 0.80
 !assign ( resid 44 and name hn ) ( resid 44 and name ha ) 2.60 0.80 0.80
  assign ( resid 45 and name hn ) ( resid 45 and name ha ) 3.20 1.40 1.80
  assign ( resid 46 and name hn ) ( resid 46 and name ha ) 3.20 1.40 1.80
  assign ( resid 47 and name hn ) ( resid 47 and name ha ) 3.20 1.40 1.80
  assign ( resid 48 and name hn ) ( resid 48 and name ha ) 2.60 0.80 0.80
  assign ( resid 49 and name hn ) ( resid 49 and name ha ) 2.60 0.80 0.80
  assign ( resid 51 and name hn ) ( resid 51 and name ha ) 2.60 0.80 0.80
  assign ( resid 52 and name hn ) ( resid 52 and name ha ) 3.20 1.40 1.80
  assign ( resid 52 and name hn ) ( resid 52 and name he3 ) 4.20 1.80 1.80
  assign ( resid 52 and name hn ) ( resid 52 and name hd1 ) 4.20 1.80 1.80
  assign ( resid 54 and name hn ) ( resid 54 and name ha ) 3.20 1.40 1.80
  assign ( resid 55 and name hn ) ( resid 55 and name ha ) 3.20 1.40 1.80
  assign ( resid 56 and name hn ) ( resid 56 and name ha ) 3.20 1.40 1.80
  assign ( resid 57 and name hn ) ( resid 57 and name ha ) 3.20 1.40 1.80
  assign ( resid 58 and name hn ) ( resid 58 and name ha ) 3.20 1.40 1.80
  assign ( resid 60 and name hn ) ( resid 60 and name ha ) 3.20 1.40 1.80
  assign ( resid 61 and name hn ) ( resid 61 and name ha ) 3.20 1.40 1.80
  assign ( resid 62 and name hn ) ( resid 62 and name ha ) 3.20 1.40 1.80
  assign ( resid 63 and name hn ) ( resid 63 and name ha ) 3.20 1.40 1.80
  assign ( resid 64 and name hn ) ( resid 64 and name ha ) 3.20 1.40 1.80
  assign ( resid 66 and name hn ) ( resid 66 and name ha ) 2.60 0.80 0.80
  assign ( resid 67 and name hn ) ( resid 67 and name ha ) 2.60 0.80 0.80
  assign ( resid 68 and name hn ) ( resid 68 and name ha ) 3.20 1.40 1.80
  assign ( resid 3 and name ha ) ( resid 3 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 3 and name ha ) ( resid 3 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 4 and name ha ) ( resid 4 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 4 and name ha ) ( resid 4 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 5 and name ha ) ( resid 5 and name hb* ) 3.20 1.40 1.80
  assign ( resid 6 and name ha ) ( resid 6 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 6 and name ha ) ( resid 6 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 7 and name ha ) ( resid 7 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 7 and name ha ) ( resid 7 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 8 and name ha ) ( resid 8 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 8 and name ha ) ( resid 8 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 9 and name ha ) ( resid 9 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 10 and name ha ) ( resid 10 and name hb* ) 2.60 0.80 0.80
  assign ( resid 12 and name ha ) ( resid 12 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 13 and name ha ) ( resid 13 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 13 and name ha ) ( resid 13 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 15 and name ha ) ( resid 15 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 15 and name ha ) ( resid 15 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 16 and name ha ) ( resid 16 and name hb* ) 2.60 0.80 0.80
  assign ( resid 17 and name ha ) ( resid 17 and name hb* ) 2.60 0.80 0.80
  assign ( resid 18 and name ha ) ( resid 18 and name hb ) 2.60 0.80 0.80
  assign ( resid 19 and name ha ) ( resid 19 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 19 and name ha ) ( resid 19 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 20 and name ha ) ( resid 20 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 20 and name ha ) ( resid 20 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 21 and name ha ) ( resid 21 and name hb* ) 3.40 1.60 2.60
  assign ( resid 23 and name ha ) ( resid 23 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 23 and name ha ) ( resid 23 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 25 and name ha ) ( resid 25 and name hb* ) 2.60 0.80 0.80
  assign ( resid 26 and name ha ) ( resid 26 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 26 and name ha ) ( resid 26 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 27 and name ha ) ( resid 27 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 27 and name ha ) ( resid 27 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 29 and name ha ) ( resid 29 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 29 and name ha ) ( resid 29 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 33 and name ha ) ( resid 33 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 33 and name ha ) ( resid 33 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 34 and name ha ) ( resid 34 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 34 and name ha ) ( resid 34 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 36 and name hb1 ) ( resid 36 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 37 and name ha ) ( resid 37 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 37 and name ha ) ( resid 37 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 38 and name ha ) ( resid 38 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 38 and name ha ) ( resid 38 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 39 and name ha ) ( resid 39 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 39 and name ha ) ( resid 39 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 40 and name ha ) ( resid 40 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 40 and name ha ) ( resid 40 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 41 and name ha ) ( resid 41 and name hb* ) 2.60 0.80 0.80
  assign ( resid 43 and name ha ) ( resid 43 and name hb* ) 2.60 0.80 0.80
  assign ( resid 44 and name ha ) ( resid 44 and name hb ) 2.60 0.80 0.80
  assign ( resid 45 and name ha ) ( resid 45 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 45 and name ha ) ( resid 45 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 46 and name ha ) ( resid 46 and name hb* ) 2.60 0.80 0.80
  assign ( resid 47 and name ha ) ( resid 47 and name hb ) 2.60 0.80 0.80
  assign ( resid 48 and name ha ) ( resid 48 and name hb* ) 2.60 0.80 0.80
  assign ( resid 49 and name ha ) ( resid 49 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 49 and name ha ) ( resid 49 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 51 and name ha ) ( resid 51 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 51 and name ha ) ( resid 51 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 52 and name ha ) ( resid 52 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 52 and name ha ) ( resid 52 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 53 and name ha ) ( resid 53 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 53 and name ha ) ( resid 53 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 54 and name ha ) ( resid 54 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 54 and name ha ) ( resid 54 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 55 and name ha ) ( resid 55 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 55 and name ha ) ( resid 55 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 56 and name ha ) ( resid 56 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 56 and name ha ) ( resid 56 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 57 and name ha ) ( resid 57 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 57 and name ha ) ( resid 57 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 61 and name ha ) ( resid 61 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 62 and name ha ) ( resid 62 and name hb* ) 2.60 0.80 0.80
  assign ( resid 63 and name ha ) ( resid 63 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 63 and name ha ) ( resid 63 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 64 and name ha ) ( resid 64 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 64 and name ha ) ( resid 64 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 65 and name ha ) ( resid 65 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 65 and name ha ) ( resid 65 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 67 and name ha ) ( resid 67 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 67 and name ha ) ( resid 67 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 68 and name ha ) ( resid 68 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 68 and name ha ) ( resid 68 and name hb2 ) 3.20 1.40 1.80
restraints  
            
  dihedral  
            
reset       


! K2 
assign (resid 1 and name c) (resid 2 and name n) (resid 2 and name ca) (resid 2 and name c) 1  -98.67  50.00 2 
! E3                                                                                        
assign (resid 2 and name c) (resid 3 and name n) (resid 3 and name ca) (resid 3 and name c) 1  -125.80  50.00 2 
! c4                                                                                        
assign (resid 3 and name c) (resid 4 and name n) (resid 4 and name ca) (resid 4 and name c) 1  -129.28  50.00 2 
! D5                                                                                        
assign (resid 4 and name c) (resid 5 and name n) (resid 5 and name ca) (resid 5 and name c) 1  -114.68  50.00 2 
! c6                                                                                        
assign (resid 5 and name c) (resid 6 and name n) (resid 6 and name ca) (resid 6 and name c) 1  -120.48  40.00 2 
! S7                                               
!assign (resid 6 and name c) (resid 7 and name n) (resid 7 and name ca) (resid 7 and name c) 1  -128.37  50.00 2 
! S8                                                                                         
!assign (resid 7 and name c) (resid 8 and name n) (resid 8 and name ca) (resid 8 and name c) 1  -103.91  50.00 2 
! P9 
!assign (resid 8 and name c) (resid 9 and name n) (resid 9 and name ca) (resid 9 and name c) 1  -110.29  50.00 2 
! E10                        
assign (resid 9 and name c) (resid 10 and name n) (resid 10 and name ca) (resid 10 and name c) 1  -100.01  50.00 2 
! n11   
assign (resid 10 and name c) (resid 11 and name n) (resid 11 and name ca) (resid 11 and name c) 1  -90.66  20.00 2 
! P12                                                                                         
!assign (resid 11 and name c) (resid 12 and name n) (resid 12 and name ca) (resid 12 and name c) 1  -90.58  50.00 2 
! c13                                                                                         
assign (resid 12 and name c) (resid 13 and name n) (resid 13 and name ca) (resid 13 and name c) 1  -90.82  40.00 2 
! c14                                                                                           
assign (resid 13 and name c) (resid 14 and name n) (resid 14 and name ca) (resid 14 and name c) 1  -107.49  40.00 2 
! D15                                                                                           
assign (resid 14 and name c) (resid 15 and name n) (resid 15 and name ca) (resid 15 and name c) 1  -90.65  40.00 2 
! A16                                                                                           
assign (resid 15 and name c) (resid 16 and name n) (resid 16 and name ca) (resid 16 and name c) 1  -90.82  40.00 2 
! A17                                                                                                   
assign (resid 16 and name c) (resid 17 and name n) (resid 17 and name ca) (resid 17 and name c) 1  -90.47  40.00 2 
! T18                                                                                           
assign (resid 17 and name c) (resid 18 and name n) (resid 18 and name ca) (resid 18 and name c) 1  -90.40  30.00 2 
! c19                                                                                         
assign (resid 18 and name c) (resid 19 and name n) (resid 19 and name ca) (resid 19 and name c) 1  60.36  40.00 2 
! K20                                                                                           
assign (resid 19 and name c) (resid 20 and name n) (resid 20 and name ca) (resid 20 and name c) 1  -122.68  30.00 2 
! L21                                                                                           
assign (resid 20 and name c) (resid 21 and name n) (resid 21 and name ca) (resid 21 and name c) 1  -90.96  50.00 2 
! R22                                                                                                  
!assign (resid 21 and name c) (resid 22 and name n) (resid 22 and name ca) (resid 22 and name c) 1  -78.71  40.00 2 
! P23                                                                      
!assign (resid 22 and name c) (resid 23 and name n)  (resid 23 and name ca) (resid 23 and name c) 1  -133.69  40.00 2 
! G24                                                
assign (resid 23 and name c) (resid 24 and name n) (resid 24 and name ca) (resid 24 and name c) 1  -92.77  40.00 2 
! A25                                                                                           
assign (resid 24 and name c) (resid 25 and name n) (resid 25 and name ca) (resid 25 and name c) 1  -117.51  50.00 2 
! Q26                                                                                           
assign (resid 25 and name c) (resid 26 and name n) (resid 26 and name ca) (resid 26 and name c) 1  -120.60  50.00 2 
! c27                                                                                           
assign (resid 26 and name c) (resid 27 and name n) (resid 27 and name ca) (resid 27 and name c) 1  -120.68  50.00 2 
! G28                                                                                           
assign (resid 27 and name c) (resid 28 and name n) (resid 28 and name ca) (resid 28 and name c) 1  -120.65  50.00 2 
! E29                                                                                          
assign (resid 28 and name c) (resid 29 and name n) (resid 29 and name ca) (resid 29 and name c) 1  -116.57  30.00 2 
! G30                                                                                           
assign (resid 29 and name c) (resid 30 and name n) (resid 30 and name ca) (resid 30 and name c) 1 120.79  40.00 2 
! L31                                                                                         
assign (resid 30 and name c) (resid 31 and name n) (resid 31 and name ca) (resid 31 and name c) 1  -90.87  40.00 2 
! c32                                                                                           
assign (resid 31 and name c) (resid 32 and name n) (resid 32 and name ca) (resid 32 and name c) 1  -120.55  40.00 2 
! c33                                                                                           
assign (resid 32 and name c) (resid 33 and name n) (resid 33 and name ca) (resid 33 and name c) 1  -109.92  40.00 2 
! E34                                                                                         
assign (resid 33 and name c) (resid 34 and name n) (resid 34 and name ca) (resid 34 and name c) 1  -120.67  30.00 2 
! Q35                                                                   
assign (resid 34 and name c) (resid 35 and name n) (resid 35 and name ca) (resid 35 and name c) 1  90.97  30.00 2 
! c36                                                                                             
assign (resid 35 and name c) (resid 36 and name n) (resid 36 and name ca) (resid 36 and name c) 1  90.71  30.00 2 
! K37                                                                                         
assign (resid 36 and name c) (resid 37 and name n) (resid 37 and name ca) (resid 37 and name c) 1  -120.70  30.00 2 
! F38                                                                                           
assign (resid 37 and name c) (resid 38 and name n) (resid 38 and name ca) (resid 38 and name c) 1  -108.54  30.00 2 
! S39                                                                                           
assign (resid 38 and name c) (resid 39 and name n) (resid 39 and name ca) (resid 39 and name c) 1  -90.63  30.00 2 
! R40                                                                                         
assign (resid 39 and name c) (resid 40 and name n) (resid 40 and name ca) (resid 40 and name c) 1  -90.50  50.00 2 
! A41                                                                                           
assign (resid 40 and name c) (resid 41 and name n) (resid 41 and name ca) (resid 41 and name c) 1  -90.84  20.00 2 
! G42                                                                                           
assign (resid 41 and name c) (resid 42 and name n) (resid 42 and name ca) (resid 42 and name c) 1  120.70  50.00 2 
! K43                                                                                           
assign (resid 42 and name c) (resid 43 and name n) (resid 43 and name ca) (resid 43 and name c) 1  -91.52  40.00 2 
! I44                                                                                           
assign (resid 43 and name c) (resid 44 and name n) (resid 44 and name ca) (resid 44 and name c) 1  -90.65  40.00 2 
! c45                                                                                             
assign (resid 44 and name c) (resid 45 and name n) (resid 45 and name ca) (resid 45 and name c) 1  -90.91  40.00 2 
! R46                                                                                           
assign (resid 45 and name c) (resid 46 and name n) (resid 46 and name ca) (resid 46 and name c) 1  -120.16  40.00 2 
! I47                                                                                    
assign (resid 46 and name c) (resid 47 and name n) (resid 47 and name ca) (resid 47 and name c) 1  -90.28  40.00 2 
! A48                                                                                         
assign (resid 47 and name c) (resid 48 and name n) (resid 48 and name ca) (resid 48 and name c) 1  -86.9  40.00 2 
! R49                                                                                           
assign (resid 48 and name c) (resid 49 and name n) (resid 49 and name ca) (resid 49 and name c) 1  -120.67  50.00 2 
! G50                                                                                           
assign (resid 49 and name c) (resid 50 and name n) (resid 50 and name ca) (resid 50 and name c) 1  94.06  50.00 2 
! D51 
!assign (resid 50 and name c) (resid 51 and name n) (resid 51 and name ca) (resid 51 and name c) 1  -86.49  50.00 2 
! W52                                                                            
assign (resid 51 and name c) (resid 52 and name n) (resid 52 and name ca) (resid 52 and name c) 1  -81.2  50.00 2 
! N53                                                                            
assign (resid 52 and name c) (resid 53 and name n) (resid 53 and name ca) (resid 53 and name c) 1  -97.6  50.00 2 
! D54                                                                            
assign (resid 53 and name c) (resid 54 and name n) (resid 54 and name ca) (resid 54 and name c) 1  -89.91  50.00 2 
! D55                                                                                           
assign (resid 54 and name c) (resid 55 and name n) (resid 55 and name ca) (resid 55 and name c) 1  -106.07  40.00 2 
! R56                                                                            
!assign (resid 55 and name c) (resid 56 and name n) (resid 56 and name ca) (resid 56 and name c) 1  -90.17  40.00 2 
! c57                                                                            
assign (resid 56 and name c) (resid 57 and name n) (resid 57 and name ca) (resid 57 and name c) 1  -90.07  40.00 2 
! T58                                                                                           
assign (resid 57 and name c) (resid 58 and name n) (resid 58 and name ca) (resid 58 and name c) 1  -90.56  40.00 2 
! G59                                                                                           
assign (resid 58 and name c) (resid 59 and name n) (resid 59 and name ca) (resid 59 and name c) 1  90.81  40.00 2 
! Q60                                                                                           
assign (resid 59 and name c) (resid 60 and name n) (resid 60 and name ca) (resid 60 and name c) 1  -120.45  50.00 2 
! S61                                                                                           
assign (resid 60 and name c) (resid 61 and name n) (resid 61 and name ca) (resid 61 and name c) 1  -120.88  50.00 2 
! A62                                                                                           
assign (resid 61 and name c) (resid 62 and name n) (resid 62 and name ca) (resid 62 and name c) 1  -87.27  50.00 2 
! D63                                                                                           
assign (resid 62 and name c) (resid 63 and name n) (resid 63 and name ca) (resid 63 and name c) 1  -120.04  40.00 2 
! c64                                                                                         
assign (resid 63 and name c) (resid 64 and name n) (resid 64 and name ca) (resid 64 and name c) 1  -90.27  40.00 2 
! P65                                                                                                 
!assign (resid 64 and name c) (resid 65 and name n) (resid 65 and name ca) (resid 65 and name c) 1  -59.80  40.00 2 
! R66                                                                            
assign (resid 65 and name c) (resid 66 and name n) (resid 66 and name ca) (resid 66 and name c) 1  -107.7  40.00 2 
! Y67                                                                                                   
assign (resid 66 and name c) (resid 67 and name n) (resid 67 and name ca) (resid 67 and name c) 1  -120.35  50.00 2 
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           1HT      GLY   1   1.974  18.100   6.357
    2    HA2  GLY   1           1HA      GLY   1   2.238  16.220   8.605
    3    HA3  GLY   1           2HA      GLY   1   1.192  17.632   8.759
    4    H    LYS   2           H        LYS   2   1.171  14.446   7.886
    5    HA   LYS   2           HA       LYS   2  -0.953  14.824   5.826
    6    HB2  LYS   2           2HB      LYS   2   0.865  12.525   6.528
    7    HB3  LYS   2           1HB      LYS   2  -0.614  12.254   5.607
    8    HG2  LYS   2           2HG      LYS   2   0.417  12.954   3.736
    9    HG3  LYS   2           1HG      LYS   2   0.716  14.521   4.487
   10    HD2  LYS   2           2HD      LYS   2   2.910  13.958   4.279
   11    HD3  LYS   2           1HD      LYS   2   2.614  12.972   5.711
   12    HE2  LYS   2           2HE      LYS   2   2.940  11.076   4.540
   13    HE3  LYS   2           1HE      LYS   2   1.752  11.566   3.332
   14    HZ1  LYS   2           3HZ      LYS   2   3.951  11.284   2.363
   15    HZ2  LYS   2           1HZ      LYS   2   4.587  12.446   3.422
   16    HZ3  LYS   2           2HZ      LYS   2   3.441  12.901   2.252
   17    H    GLU   3           H        GLU   3  -3.020  14.608   6.500
   18    HA   GLU   3           HA       GLU   3  -3.532  13.012   8.983
   19    HB2  GLU   3           2HB      GLU   3  -4.837  15.516   7.908
   20    HB3  GLU   3           1HB      GLU   3  -5.638  14.492   9.100
   21    HG2  GLU   3           2HG      GLU   3  -4.289  15.195  10.780
   22    HG3  GLU   3           1HG      GLU   3  -2.844  15.099   9.773
   23    H    CYS   4           H        CYS   4  -3.649  12.610   5.824
   24    HA   CYS   4           HA       CYS   4  -6.253  11.139   5.934
   25    HB2  CYS   4           2HB      CYS   4  -5.093  12.786   3.670
   26    HB3  CYS   4           1HB      CYS   4  -6.406  11.637   3.436
   27    H    ASP   5           H        ASP   5  -5.268   9.154   6.352
   28    HA   ASP   5           HA       ASP   5  -2.968   8.218   4.844
   29    HB2  ASP   5           2HB      ASP   5  -4.299   7.458   7.200
   30    HB3  ASP   5           1HB      ASP   5  -4.531   6.108   6.089
   31    H    CYS   6           H        CYS   6  -6.253   8.509   4.124
   32    HA   CYS   6           HA       CYS   6  -5.938   6.542   1.900
   33    HB2  CYS   6           2HB      CYS   6  -8.324   5.919   2.172
   34    HB3  CYS   6           1HB      CYS   6  -7.376   5.514   3.603
   35    H    SER   7           H        SER   7  -7.472   7.025   0.079
   36    HA   SER   7           HA       SER   7  -7.817   9.976  -0.169
   37    HB2  SER   7           2HB      SER   7  -7.817   9.585  -2.589
   38    HB3  SER   7           1HB      SER   7  -6.394   8.841  -1.864
   39    HG   SER   7           HG       SER   7  -7.217   7.245  -3.070
   40    H    SER   8           H        SER   8  -9.548   6.955  -0.101
   41    HA   SER   8           HA       SER   8 -12.013   8.191  -1.153
   42    HB2  SER   8           2HB      SER   8 -11.588   5.413  -0.022
   43    HB3  SER   8           1HB      SER   8 -12.978   5.966  -0.951
   44    HG   SER   8           HG       SER   8 -11.748   5.122  -2.492
   45    HA   PRO   9           HA       PRO   9 -13.126   9.264   3.040
   46    HB2  PRO   9           2HB      PRO   9 -15.474  10.522   2.358
   47    HB3  PRO   9           1HB      PRO   9 -13.878  11.280   2.209
   48    HG2  PRO   9           2HG      PRO   9 -15.649  10.193   0.069
   49    HG3  PRO   9           1HG      PRO   9 -14.418  11.464  -0.030
   50    HD2  PRO   9           2HD      PRO   9 -14.108   8.787  -0.896
   51    HD3  PRO   9           1HD      PRO   9 -12.802   9.972  -0.676
   52    H    GLU  10           H        GLU  10 -14.931   7.348   0.778
   53    HA   GLU  10           HA       GLU  10 -16.980   6.578   2.754
   54    HB2  GLU  10           2HB      GLU  10 -16.424   5.797  -0.114
   55    HB3  GLU  10           1HB      GLU  10 -17.642   4.972   0.859
   56    HG2  GLU  10           2HG      GLU  10 -18.548   7.351   1.362
   57    HG3  GLU  10           1HG      GLU  10 -17.581   7.853  -0.025
   58    H    ASN  11           H        ASN  11 -13.849   5.898   2.580
   59    HA   ASN  11           HA       ASN  11 -13.889   2.985   2.651
   60    HB2  ASN  11           2HB      ASN  11 -11.924   4.439   1.933
   61    HB3  ASN  11           1HB      ASN  11 -11.687   4.805   3.641
   62   HD21  ASN  11          1HD2      ASN  11 -10.399   2.882   1.360
   63   HD22  ASN  11          2HD2      ASN  11 -10.024   1.503   2.277
   64    HA   PRO  12           HA       PRO  12 -15.049   2.880   6.948
   65    HB2  PRO  12           2HB      PRO  12 -14.942   0.144   7.187
   66    HB3  PRO  12           1HB      PRO  12 -16.290   1.009   6.428
   67    HG2  PRO  12           2HG      PRO  12 -14.118  -0.577   5.143
   68    HG3  PRO  12           1HG      PRO  12 -15.754  -0.236   4.558
   69    HD2  PRO  12           2HD      PRO  12 -13.379   1.053   3.704
   70    HD3  PRO  12           1HD      PRO  12 -15.040   1.587   3.367
   71    H    CYS  13           H        CYS  13 -12.181   1.273   5.645
   72    HA   CYS  13           HA       CYS  13 -10.983   0.541   8.130
   73    HB2  CYS  13           2HB      CYS  13 -10.325  -0.069   5.668
   74    HB3  CYS  13           1HB      CYS  13  -9.335   1.390   5.765
   75    H    CYS  14           H        CYS  14 -10.543   3.480   6.125
   76    HA   CYS  14           HA       CYS  14  -9.044   4.693   8.389
   77    HB2  CYS  14           2HB      CYS  14  -8.337   6.384   6.813
   78    HB3  CYS  14           1HB      CYS  14  -8.126   4.811   6.045
   79    H    ASP  15           H        ASP  15  -9.944   6.258   9.645
   80    HA   ASP  15           HA       ASP  15 -12.710   6.792   9.693
   81    HB2  ASP  15           2HB      ASP  15 -10.819   7.352  11.424
   82    HB3  ASP  15           1HB      ASP  15 -10.724   8.883  10.550
   83    H    ALA  16           H        ALA  16 -14.000   8.284   8.632
   84    HA   ALA  16           HA       ALA  16 -12.987   9.478   6.197
   85    HB1  ALA  16           1HB      ALA  16 -15.384  10.712   6.578
   86    HB2  ALA  16           2HB      ALA  16 -15.591   9.288   7.600
   87    HB3  ALA  16           3HB      ALA  16 -15.218   9.097   5.887
   88    H    ALA  17           H        ALA  17 -14.099  10.841   9.309
   89    HA   ALA  17           HA       ALA  17 -13.616  13.567   8.674
   90    HB1  ALA  17           1HB      ALA  17 -14.540  12.184  10.884
   91    HB2  ALA  17           2HB      ALA  17 -14.252  13.923  10.821
   92    HB3  ALA  17           3HB      ALA  17 -13.008  12.846  11.455
   93    H    THR  18           H        THR  18 -11.455  11.108  10.085
   94    HA   THR  18           HA       THR  18  -9.211  13.058   9.875
   95    HB   THR  18           HB       THR  18  -8.117  11.862  11.529
   96    HG1  THR  18           1HG      THR  18  -9.044   9.539  11.816
   97   HG21  THR  18          3HG2      THR  18 -10.740  10.711  12.326
   98   HG22  THR  18          1HG2      THR  18 -10.689  12.454  12.069
   99   HG23  THR  18          2HG2      THR  18  -9.619  11.706  13.254
  100    H    CYS  19           H        CYS  19 -10.644  11.017   7.854
  101    HA   CYS  19           HA       CYS  19  -9.928   9.469   6.200
  102    HB2  CYS  19           2HB      CYS  19  -7.914  10.653   4.924
  103    HB3  CYS  19           1HB      CYS  19  -9.552  11.273   4.826
  104    H    LYS  20           H        LYS  20  -8.707   8.840   8.768
  105    HA   LYS  20           HA       LYS  20  -6.215   7.589   7.703
  106    HB2  LYS  20           2HB      LYS  20  -6.461   8.879  10.436
  107    HB3  LYS  20           1HB      LYS  20  -5.047   8.029   9.812
  108    HG2  LYS  20           2HG      LYS  20  -5.804  10.007   7.892
  109    HG3  LYS  20           1HG      LYS  20  -5.736  10.780   9.475
  110    HD2  LYS  20           2HD      LYS  20  -3.541   9.054   8.293
  111    HD3  LYS  20           1HD      LYS  20  -3.530  10.818   8.340
  112    HE2  LYS  20           2HE      LYS  20  -3.193  10.894  10.625
  113    HE3  LYS  20           1HE      LYS  20  -4.003   9.353  10.902
  114    HZ1  LYS  20           3HZ      LYS  20  -1.333   9.715   9.656
  115    HZ2  LYS  20           1HZ      LYS  20  -2.115   8.228   9.885
  116    HZ3  LYS  20           2HZ      LYS  20  -1.631   9.146  11.229
  117    H    LEU  21           H        LEU  21  -5.590   5.635   8.908
  118    HA   LEU  21           HA       LEU  21  -7.693   3.838   9.376
  119    HB2  LEU  21           2HB      LEU  21  -4.906   3.837  10.571
  120    HB3  LEU  21           1HB      LEU  21  -6.004   2.457  10.590
  121    HG   LEU  21           HG       LEU  21  -5.828   3.525   7.915
  122   HD11  LEU  21          1HD1      LEU  21  -3.619   4.341   8.584
  123   HD12  LEU  21          2HD1      LEU  21  -3.439   2.953   7.511
  124   HD13  LEU  21          3HD1      LEU  21  -3.212   2.758   9.249
  125   HD21  LEU  21          3HD2      LEU  21  -6.350   1.321   7.787
  126   HD22  LEU  21          1HD2      LEU  21  -5.668   0.987   9.378
  127   HD23  LEU  21          2HD2      LEU  21  -4.619   1.029   7.961
  128    H    ARG  22           H        ARG  22  -9.235   3.895  10.924
  129    HA   ARG  22           HA       ARG  22  -8.901   5.515  13.327
  130    HB2  ARG  22           2HB      ARG  22 -11.073   4.593  11.848
  131    HB3  ARG  22           1HB      ARG  22 -11.166   3.674  13.352
  132    HG2  ARG  22           2HG      ARG  22 -10.502   6.477  13.821
  133    HG3  ARG  22           1HG      ARG  22 -12.044   6.291  12.986
  134    HD2  ARG  22           2HD      ARG  22 -12.872   4.807  14.708
  135    HD3  ARG  22           1HD      ARG  22 -11.292   4.759  15.491
  136    HE   ARG  22           HE       ARG  22 -12.465   7.443  15.263
  137   HH11  ARG  22          1HH1      ARG  22 -12.905   4.548  16.999
  138   HH12  ARG  22          2HH1      ARG  22 -12.876   5.300  18.559
  139   HH21  ARG  22          1HH2      ARG  22 -12.068   8.437  17.326
  140   HH22  ARG  22          2HH2      ARG  22 -12.405   7.501  18.744
  141    HA   PRO  23           HA       PRO  23  -8.942   1.223  15.427
  142    HB2  PRO  23           2HB      PRO  23  -8.852  -0.990  13.797
  143    HB3  PRO  23           1HB      PRO  23 -10.359  -0.229  14.336
  144    HG2  PRO  23           2HG      PRO  23  -9.067  -0.134  11.653
  145    HG3  PRO  23           1HG      PRO  23 -10.774   0.062  12.084
  146    HD2  PRO  23           2HD      PRO  23  -8.957   2.143  11.456
  147    HD3  PRO  23           1HD      PRO  23 -10.572   2.343  12.168
  148    H    GLY  24           H        GLY  24  -7.366  -1.084  14.931
  149    HA2  GLY  24           2HA      GLY  24  -4.689   0.152  14.814
  150    HA3  GLY  24           1HA      GLY  24  -5.045  -1.502  15.314
  151    H    ALA  25           H        ALA  25  -6.527  -0.398  12.393
  152    HA   ALA  25           HA       ALA  25  -5.247  -2.452  10.832
  153    HB1  ALA  25           1HB      ALA  25  -7.209  -0.283  10.359
  154    HB2  ALA  25           2HB      ALA  25  -7.228  -1.959   9.807
  155    HB3  ALA  25           3HB      ALA  25  -6.261  -0.759   8.950
  156    H    GLN  26           H        GLN  26  -3.477  -2.309   9.446
  157    HA   GLN  26           HA       GLN  26  -1.599  -0.159   9.904
  158    HB2  GLN  26           2HB      GLN  26  -1.649  -2.475   7.958
  159    HB3  GLN  26           1HB      GLN  26  -0.314  -1.327   8.042
  160    HG2  GLN  26           2HG      GLN  26  -1.326  -2.965  10.385
  161    HG3  GLN  26           1HG      GLN  26   0.098  -3.360   9.423
  162   HE21  GLN  26          1HE2      GLN  26  -0.347  -2.341  12.363
  163   HE22  GLN  26          2HE2      GLN  26   0.782  -1.081  12.498
  164    H    CYS  27           H        CYS  27  -3.315  -1.190   6.921
  165    HA   CYS  27           HA       CYS  27  -3.218   1.666   6.056
  166    HB2  CYS  27           2HB      CYS  27  -1.643   0.935   4.570
  167    HB3  CYS  27           1HB      CYS  27  -2.128  -0.747   4.723
  168    H    GLY  28           H        GLY  28  -4.965   2.295   4.661
  169    HA2  GLY  28           2HA      GLY  28  -7.389   0.621   5.035
  170    HA3  GLY  28           1HA      GLY  28  -7.386   2.333   4.618
  171    H    GLU  29           H        GLU  29  -5.302   1.998   2.580
  172    HA   GLU  29           HA       GLU  29  -6.559   0.199   0.605
  173    HB2  GLU  29           2HB      GLU  29  -7.086   1.882  -0.953
  174    HB3  GLU  29           1HB      GLU  29  -7.652   2.538   0.575
  175    HG2  GLU  29           2HG      GLU  29  -6.442   4.366  -0.063
  176    HG3  GLU  29           1HG      GLU  29  -5.093   3.439   0.594
  177    H    GLY  30           H        GLY  30  -5.025  -0.643  -0.776
  178    HA2  GLY  30           2HA      GLY  30  -2.789   0.496  -1.900
  179    HA3  GLY  30           1HA      GLY  30  -2.227   0.057  -0.288
  180    H    LEU  31           H        LEU  31  -1.102  -1.152  -2.543
  181    HA   LEU  31           HA       LEU  31  -2.390  -3.686  -3.139
  182    HB2  LEU  31           2HB      LEU  31   0.470  -2.751  -3.540
  183    HB3  LEU  31           1HB      LEU  31  -0.197  -4.247  -4.194
  184    HG   LEU  31           HG       LEU  31  -1.278  -1.476  -4.779
  185   HD11  LEU  31          1HD1      LEU  31   1.068  -2.429  -5.719
  186   HD12  LEU  31          2HD1      LEU  31  -0.003  -1.412  -6.684
  187   HD13  LEU  31          3HD1      LEU  31  -0.032  -3.164  -6.886
  188   HD21  LEU  31          3HD2      LEU  31  -3.102  -2.800  -5.221
  189   HD22  LEU  31          1HD2      LEU  31  -2.127  -4.257  -5.412
  190   HD23  LEU  31          2HD2      LEU  31  -2.231  -3.086  -6.727
  191    H    CYS  32           H        CYS  32   0.060  -2.575  -0.852
  192    HA   CYS  32           HA       CYS  32   0.517  -5.328   0.122
  193    HB2  CYS  32           2HB      CYS  32   2.083  -3.024   0.029
  194    HB3  CYS  32           1HB      CYS  32   1.648  -3.171   1.731
  195    H    CYS  33           H        CYS  33  -2.105  -3.760   0.422
  196    HA   CYS  33           HA       CYS  33  -2.244  -3.706   3.400
  197    HB2  CYS  33           2HB      CYS  33  -4.320  -2.709   1.441
  198    HB3  CYS  33           1HB      CYS  33  -4.212  -2.348   3.163
  199    H    GLU  34           H        GLU  34  -2.433  -5.986   3.722
  200    HA   GLU  34           HA       GLU  34  -4.768  -7.331   2.464
  201    HB2  GLU  34           2HB      GLU  34  -2.222  -8.216   3.703
  202    HB3  GLU  34           1HB      GLU  34  -3.623  -9.232   4.046
  203    HG2  GLU  34           2HG      GLU  34  -4.013  -8.903   1.416
  204    HG3  GLU  34           1HG      GLU  34  -2.262  -8.693   1.447
  205    H    GLN  35           H        GLN  35  -6.655  -7.183   3.591
  206    HA   GLN  35           HA       GLN  35  -8.129  -7.054   5.415
  207    HB2  GLN  35           2HB      GLN  35  -6.136  -8.944   6.119
  208    HB3  GLN  35           1HB      GLN  35  -6.360  -7.912   7.532
  209    HG2  GLN  35           2HG      GLN  35  -8.263  -9.010   8.006
  210    HG3  GLN  35           1HG      GLN  35  -8.946  -8.446   6.480
  211   HE21  GLN  35          1HE2      GLN  35  -8.861  -9.905   4.630
  212   HE22  GLN  35          2HE2      GLN  35  -8.482 -11.549   4.813
  213    H    CYS  36           H        CYS  36  -6.570  -4.788   4.704
  214    HA   CYS  36           HA       CYS  36  -6.050  -2.661   5.535
  215    HB2  CYS  36           2HB      CYS  36  -7.604  -3.852   7.819
  216    HB3  CYS  36           1HB      CYS  36  -6.775  -2.312   8.021
  217    H    LYS  37           H        LYS  37  -4.427  -5.280   6.119
  218    HA   LYS  37           HA       LYS  37  -2.628  -4.067   8.178
  219    HB2  LYS  37           2HB      LYS  37  -3.358  -6.898   7.506
  220    HB3  LYS  37           1HB      LYS  37  -1.740  -6.573   8.129
  221    HG2  LYS  37           2HG      LYS  37  -2.607  -5.622  10.146
  222    HG3  LYS  37           1HG      LYS  37  -4.245  -5.562   9.492
  223    HD2  LYS  37           2HD      LYS  37  -3.928  -8.162   9.231
  224    HD3  LYS  37           1HD      LYS  37  -2.678  -7.936  10.456
  225    HE2  LYS  37           2HE      LYS  37  -4.871  -6.443  11.374
  226    HE3  LYS  37           1HE      LYS  37  -5.564  -7.948  10.771
  227    HZ1  LYS  37           3HZ      LYS  37  -4.572  -7.735  13.193
  228    HZ2  LYS  37           1HZ      LYS  37  -3.137  -8.136  12.383
  229    HZ3  LYS  37           2HZ      LYS  37  -4.476  -9.181  12.307
  230    H    PHE  38           H        PHE  38  -0.276  -4.463   7.755
  231    HA   PHE  38           HA       PHE  38   0.360  -3.888   4.961
  232    HB2  PHE  38           2HB      PHE  38   1.941  -4.167   7.508
  233    HB3  PHE  38           1HB      PHE  38   2.776  -4.162   5.960
  234    HD1  PHE  38           1HD      PHE  38  -0.185  -2.270   5.609
  235    HD2  PHE  38           2HD      PHE  38   3.773  -2.063   7.269
  236    HE1  PHE  38           1HE      PHE  38  -0.287   0.203   5.558
  237    HE2  PHE  38           2HE      PHE  38   3.665   0.412   7.217
  238    HZ   PHE  38           HZ       PHE  38   1.633   1.545   6.360
  239    H    SER  39           H        SER  39   0.688  -5.463   3.451
  240    HA   SER  39           HA       SER  39   0.673  -8.249   4.090
  241    HB2  SER  39           2HB      SER  39   2.021  -7.269   1.598
  242    HB3  SER  39           1HB      SER  39   0.910  -8.619   1.807
  243    HG   SER  39           HG       SER  39  -0.611  -7.289   1.263
  244    H    ARG  40           H        ARG  40   3.221  -8.545   2.184
  245    HA   ARG  40           HA       ARG  40   5.205  -8.155   4.381
  246    HB2  ARG  40           2HB      ARG  40   4.762 -10.603   2.658
  247    HB3  ARG  40           1HB      ARG  40   6.254 -10.330   3.561
  248    HG2  ARG  40           2HG      ARG  40   5.249 -11.210   5.373
  249    HG3  ARG  40           1HG      ARG  40   4.159  -9.822   5.379
  250    HD2  ARG  40           2HD      ARG  40   2.865 -11.904   5.311
  251    HD3  ARG  40           1HD      ARG  40   2.661 -11.013   3.801
  252    HE   ARG  40           HE       ARG  40   3.541 -12.918   2.751
  253   HH11  ARG  40          1HH2      ARG  40   6.311 -12.317   3.720
  254   HH12  ARG  40          2HH2      ARG  40   6.724 -13.771   4.566
  255   HH21  ARG  40          1HH1      ARG  40   3.447 -14.889   4.783
  256   HH22  ARG  40          2HH1      ARG  40   5.102 -15.229   5.166
  257    H    ALA  41           H        ALA  41   7.399  -7.888   3.640
  258    HA   ALA  41           HA       ALA  41   7.628  -6.328   1.232
  259    HB1  ALA  41           1HB      ALA  41   9.978  -7.554   2.669
  260    HB2  ALA  41           2HB      ALA  41   9.068  -6.235   3.405
  261    HB3  ALA  41           3HB      ALA  41   9.877  -5.992   1.857
  262    H    GLY  42           H        GLY  42   9.381  -6.944  -0.450
  263    HA2  GLY  42           2HA      GLY  42  10.186  -8.476  -2.051
  264    HA3  GLY  42           1HA      GLY  42   9.952  -9.751  -0.853
  265    H    LYS  43           H        LYS  43   7.302  -7.629  -1.591
  266    HA   LYS  43           HA       LYS  43   5.883  -9.969  -2.794
  267    HB2  LYS  43           2HB      LYS  43   4.517  -9.150  -1.107
  268    HB3  LYS  43           1HB      LYS  43   5.014  -7.487  -1.369
  269    HG2  LYS  43           2HG      LYS  43   3.575  -8.782  -3.622
  270    HG3  LYS  43           1HG      LYS  43   2.623  -8.448  -2.181
  271    HD2  LYS  43           2HD      LYS  43   4.393  -6.255  -3.099
  272    HD3  LYS  43           1HD      LYS  43   3.009  -6.619  -4.126
  273    HE2  LYS  43           2HE      LYS  43   2.665  -6.331  -1.150
  274    HE3  LYS  43           1HE      LYS  43   2.697  -4.907  -2.190
  275    HZ1  LYS  43           3HZ      LYS  43   1.034  -6.914  -3.295
  276    HZ2  LYS  43           1HZ      LYS  43   0.641  -5.324  -2.857
  277    HZ3  LYS  43           2HZ      LYS  43   0.549  -6.568  -1.704
  278    H    ILE  44           H        ILE  44   5.750 -10.064  -4.965
  279    HA   ILE  44           HA       ILE  44   6.565  -7.978  -6.724
  280    HB   ILE  44           HB       ILE  44   6.517 -10.297  -7.461
  281   HG12  ILE  44          2HG1      ILE  44   5.234 -10.026  -9.587
  282   HG13  ILE  44          1HG1      ILE  44   4.486  -8.576  -8.920
  283   HG21  ILE  44          1HG2      ILE  44   3.826 -10.845  -7.969
  284   HG22  ILE  44          2HG2      ILE  44   3.829 -10.148  -6.349
  285   HG23  ILE  44          3HG2      ILE  44   4.814 -11.568  -6.701
  286   HD11  ILE  44          3HD1      ILE  44   6.354  -7.869 -10.272
  287   HD12  ILE  44          1HD1      ILE  44   7.429  -9.021  -9.478
  288   HD13  ILE  44          2HD1      ILE  44   6.803  -7.635  -8.584
  289    H    CYS  45           H        CYS  45   5.336  -6.159  -5.750
  290    HA   CYS  45           HA       CYS  45   2.441  -6.063  -5.954
  291    HB2  CYS  45           2HB      CYS  45   2.826  -3.581  -5.628
  292    HB3  CYS  45           1HB      CYS  45   3.489  -4.602  -4.353
  293    H    ARG  46           H        ARG  46   5.078  -5.492  -8.118
  294    HA   ARG  46           HA       ARG  46   3.151  -4.898 -10.280
  295    HB2  ARG  46           2HB      ARG  46   4.860  -2.889  -9.044
  296    HB3  ARG  46           1HB      ARG  46   5.201  -3.059 -10.766
  297    HG2  ARG  46           2HG      ARG  46   2.331  -3.071 -10.138
  298    HG3  ARG  46           1HG      ARG  46   3.141  -1.566  -9.700
  299    HD2  ARG  46           2HD      ARG  46   3.756  -1.096 -11.891
  300    HD3  ARG  46           1HD      ARG  46   3.715  -2.792 -12.374
  301    HE   ARG  46           HE       ARG  46   1.070  -2.149 -11.737
  302   HH11  ARG  46          1HH2      ARG  46   2.445  -2.811 -14.480
  303   HH12  ARG  46          2HH2      ARG  46   1.827  -1.504 -15.433
  304   HH21  ARG  46          1HH1      ARG  46   0.727   0.322 -12.698
  305   HH22  ARG  46          2HH1      ARG  46   0.853   0.270 -14.425
  306    H    ILE  47           H        ILE  47   3.882  -5.650 -12.266
  307    HA   ILE  47           HA       ILE  47   6.561  -6.972 -12.241
  308    HB   ILE  47           HB       ILE  47   4.566  -8.435 -12.622
  309   HG12  ILE  47          2HG1      ILE  47   5.445  -9.273 -14.952
  310   HG13  ILE  47          1HG1      ILE  47   6.683  -8.038 -14.724
  311   HG21  ILE  47          1HG2      ILE  47   3.281  -6.607 -13.833
  312   HG22  ILE  47          2HG2      ILE  47   3.237  -8.191 -14.610
  313   HG23  ILE  47          3HG2      ILE  47   4.299  -6.930 -15.237
  314   HD11  ILE  47          3HD1      ILE  47   6.205  -9.695 -12.340
  315   HD12  ILE  47          1HD1      ILE  47   7.727  -9.219 -13.091
  316   HD13  ILE  47          2HD1      ILE  47   6.826 -10.596 -13.723
  317    H    ALA  48           H        ALA  48   8.104  -5.939 -13.413
  318    HA   ALA  48           HA       ALA  48   7.330  -3.818 -15.292
  319    HB1  ALA  48           1HB      ALA  48   9.802  -3.499 -15.510
  320    HB2  ALA  48           2HB      ALA  48  10.039  -4.879 -14.438
  321    HB3  ALA  48           3HB      ALA  48   9.244  -3.423 -13.839
  322    H    ARG  49           H        ARG  49   8.595  -3.797 -17.461
  323    HA   ARG  49           HA       ARG  49   8.682  -6.555 -18.610
  324    HB2  ARG  49           2HB      ARG  49   7.560  -4.110 -20.009
  325    HB3  ARG  49           1HB      ARG  49   7.546  -5.772 -20.602
  326    HG2  ARG  49           2HG      ARG  49   6.359  -5.457 -17.929
  327    HG3  ARG  49           1HG      ARG  49   5.492  -4.596 -19.201
  328    HD2  ARG  49           2HD      ARG  49   6.274  -7.524 -19.299
  329    HD3  ARG  49           1HD      ARG  49   4.658  -6.917 -18.938
  330    HE   ARG  49           HE       ARG  49   5.699  -5.925 -21.474
  331   HH11  ARG  49          1HH2      ARG  49   5.086  -9.028 -20.369
  332   HH12  ARG  49          2HH2      ARG  49   3.854  -9.392 -21.529
  333   HH21  ARG  49          1HH1      ARG  49   3.674  -6.151 -22.750
  334   HH22  ARG  49          2HH1      ARG  49   3.054  -7.763 -22.877
  335    H    GLY  50           H        GLY  50  10.534  -6.939 -19.746
  336    HA2  GLY  50           2HA      GLY  50  12.047  -5.854 -21.538
  337    HA3  GLY  50           1HA      GLY  50  12.276  -4.585 -20.338
  338    H    ASP  51           H        ASP  51  13.717  -4.943 -18.661
  339    HA   ASP  51           HA       ASP  51  14.669  -7.588 -17.950
  340    HB2  ASP  51           2HB      ASP  51  16.927  -7.423 -18.785
  341    HB3  ASP  51           1HB      ASP  51  15.838  -7.159 -20.147
  342    H    TRP  52           H        TRP  52  13.662  -5.915 -16.198
  343    HA   TRP  52           HA       TRP  52  16.043  -4.797 -14.787
  344    HB2  TRP  52           2HB      TRP  52  13.859  -3.263 -13.922
  345    HB3  TRP  52           1HB      TRP  52  15.174  -2.724 -14.961
  346    HD1  TRP  52           HD       TRP  52  11.830  -4.644 -15.396
  347    HE1  TRP  52           1HE      TRP  52  10.739  -3.846 -17.591
  348    HE3  TRP  52           3HE      TRP  52  15.397  -1.370 -17.015
  349    HZ2  TRP  52           2HZ      TRP  52  11.305  -2.059 -19.750
  350    HZ3  TRP  52           3HZ      TRP  52  15.098  -0.134 -19.143
  351    HH2  TRP  52           HH       TRP  52  13.059  -0.473 -20.511
  352    H    ASN  53           H        ASN  53  14.701  -4.037 -12.440
  353    HA   ASN  53           HA       ASN  53  14.045  -6.718 -11.355
  354    HB2  ASN  53           2HB      ASN  53  15.130  -4.188 -10.270
  355    HB3  ASN  53           1HB      ASN  53  14.022  -5.047  -9.199
  356   HD21  ASN  53          1HD2      ASN  53  14.818  -6.905  -8.143
  357   HD22  ASN  53          2HD2      ASN  53  16.340  -7.593  -8.448
  358    H    ASP  54           H        ASP  54  11.973  -7.267 -10.837
  359    HA   ASP  54           HA       ASP  54   9.768  -5.566 -11.510
  360    HB2  ASP  54           2HB      ASP  54   8.374  -7.291 -10.439
  361    HB3  ASP  54           1HB      ASP  54   9.606  -8.040 -11.455
  362    H    ASP  55           H        ASP  55   8.000  -5.106  -9.752
  363    HA   ASP  55           HA       ASP  55   9.329  -3.538  -7.630
  364    HB2  ASP  55           2HB      ASP  55   6.355  -3.749  -8.149
  365    HB3  ASP  55           1HB      ASP  55   7.226  -2.445  -7.340
  366    H    ARG  56           H        ARG  56   9.485  -4.271  -5.555
  367    HA   ARG  56           HA       ARG  56   7.718  -6.549  -4.774
  368    HB2  ARG  56           2HB      ARG  56  10.589  -6.023  -3.969
  369    HB3  ARG  56           1HB      ARG  56   9.584  -7.328  -3.339
  370    HG2  ARG  56           2HG      ARG  56   9.331  -7.513  -6.125
  371    HG3  ARG  56           1HG      ARG  56  11.042  -7.194  -5.846
  372    HD2  ARG  56           2HD      ARG  56  10.672  -9.027  -3.929
  373    HD3  ARG  56           1HD      ARG  56   9.393  -9.541  -5.028
  374    HE   ARG  56           HE       ARG  56  12.104  -9.148  -6.167
  375   HH11  ARG  56          1HH1      ARG  56  11.618 -11.583  -4.292
  376   HH12  ARG  56          2HH1      ARG  56  11.299 -12.811  -5.471
  377   HH21  ARG  56          1HH2      ARG  56  10.788 -10.565  -8.062
  378   HH22  ARG  56          2HH2      ARG  56  10.829 -12.235  -7.604
  379    H    CYS  57           H        CYS  57   6.501  -6.201  -2.918
  380    HA   CYS  57           HA       CYS  57   6.330  -3.670  -1.682
  381    HB2  CYS  57           2HB      CYS  57   4.713  -5.659  -1.401
  382    HB3  CYS  57           1HB      CYS  57   5.815  -6.219  -0.152
  383    H    THR  58           H        THR  58   7.166  -2.885   0.317
  384    HA   THR  58           HA       THR  58   9.826  -3.987   0.992
  385    HB   THR  58           HB       THR  58  10.304  -1.889   1.958
  386    HG1  THR  58           1HG      THR  58   7.535  -1.831   2.302
  387   HG21  THR  58          3HG2      THR  58   8.522  -0.516   0.170
  388   HG22  THR  58          1HG2      THR  58   9.089  -1.997  -0.604
  389   HG23  THR  58          2HG2      THR  58  10.252  -0.810  -0.011
  390    H    GLY  59           H        GLY  59   6.807  -4.692   1.932
  391    HA2  GLY  59           2HA      GLY  59   6.162  -6.016   3.795
  392    HA3  GLY  59           1HA      GLY  59   7.713  -5.658   4.552
  393    H    GLN  60           H        GLN  60   7.666  -2.859   4.519
  394    HA   GLN  60           HA       GLN  60   5.465  -2.347   6.460
  395    HB2  GLN  60           2HB      GLN  60   7.861  -0.566   6.050
  396    HB3  GLN  60           1HB      GLN  60   6.865  -0.764   7.494
  397    HG2  GLN  60           2HG      GLN  60   7.701  -3.133   7.657
  398    HG3  GLN  60           1HG      GLN  60   8.821  -2.771   6.342
  399   HE21  GLN  60          1HE2      GLN  60   9.874  -0.332   6.915
  400   HE22  GLN  60          2HE2      GLN  60  10.593  -0.303   8.452
  401    H    SER  61           H        SER  61   5.741  -2.043   3.300
  402    HA   SER  61           HA       SER  61   4.667   0.753   3.225
  403    HB2  SER  61           2HB      SER  61   6.441   0.829   1.733
  404    HB3  SER  61           1HB      SER  61   6.280  -0.868   1.295
  405    HG   SER  61           HG       SER  61   5.343   0.007  -0.396
  406    H    ALA  62           H        ALA  62   2.776   1.115   1.885
  407    HA   ALA  62           HA       ALA  62   1.178  -1.377   1.445
  408    HB1  ALA  62           1HB      ALA  62   0.551   1.148   2.778
  409    HB2  ALA  62           2HB      ALA  62  -0.306  -0.392   2.840
  410    HB3  ALA  62           3HB      ALA  62  -0.624   0.742   1.528
  411    H    ASP  63           H        ASP  63   2.151   1.748   0.142
  412    HA   ASP  63           HA       ASP  63   0.650   1.184  -2.362
  413    HB2  ASP  63           2HB      ASP  63   1.908   3.617  -1.148
  414    HB3  ASP  63           1HB      ASP  63   1.750   3.541  -2.904
  415    H    CYS  64           H        CYS  64   1.743   0.004  -3.850
  416    HA   CYS  64           HA       CYS  64   4.600  -0.371  -3.740
  417    HB2  CYS  64           2HB      CYS  64   3.144  -2.093  -4.664
  418    HB3  CYS  64           1HB      CYS  64   2.619  -1.003  -5.945
  419    HA   PRO  65           HA       PRO  65   5.547   3.357  -5.913
  420    HB2  PRO  65           2HB      PRO  65   8.238   3.111  -5.488
  421    HB3  PRO  65           1HB      PRO  65   7.123   3.751  -4.279
  422    HG2  PRO  65           2HG      PRO  65   8.527   1.136  -4.364
  423    HG3  PRO  65           1HG      PRO  65   7.847   1.998  -2.973
  424    HD2  PRO  65           2HD      PRO  65   6.684  -0.212  -4.342
  425    HD3  PRO  65           1HD      PRO  65   5.919   0.783  -3.085
  426    H    ARG  66           H        ARG  66   7.862   3.630  -7.383
  427    HA   ARG  66           HA       ARG  66   7.858   1.328  -9.288
  428    HB2  ARG  66           2HB      ARG  66   8.091   4.147 -10.298
  429    HB3  ARG  66           1HB      ARG  66   7.531   2.704 -11.144
  430    HG2  ARG  66           2HG      ARG  66   5.444   3.478 -10.728
  431    HG3  ARG  66           1HG      ARG  66   5.715   2.926  -9.075
  432    HD2  ARG  66           2HD      ARG  66   5.740   5.042  -8.306
  433    HD3  ARG  66           1HD      ARG  66   6.958   5.507  -9.494
  434    HE   ARG  66           HE       ARG  66   4.548   5.362 -10.914
  435   HH11  ARG  66          1HH1      ARG  66   6.272   7.303  -8.696
  436   HH12  ARG  66          2HH1      ARG  66   5.126   8.600  -8.713
  437   HH21  ARG  66          1HH2      ARG  66   2.861   6.926 -10.733
  438   HH22  ARG  66          2HH2      ARG  66   3.193   8.387  -9.865
  439    H    TYR  67           H        TYR  67   9.807   1.753 -10.923
  440    HA   TYR  67           HA       TYR  67  12.093   2.991  -9.475
  441    HB2  TYR  67           2HB      TYR  67  12.128   0.188 -10.638
  442    HB3  TYR  67           1HB      TYR  67  13.493   1.015  -9.888
  443    HD1  TYR  67           2HD      TYR  67  12.421   2.294  -7.546
  444    HD2  TYR  67           1HD      TYR  67  11.404  -1.526  -9.227
  445    HE1  TYR  67           2HE      TYR  67  11.673   1.511  -5.316
  446    HE2  TYR  67           1HE      TYR  67  10.656  -2.308  -6.997
  447    HH   TYR  67           HH       TYR  67  11.270  -1.612  -4.506
  448    H    HIS  68           H        HIS  68  10.928   1.464 -12.473
  449    HA   HIS  68           HA       HIS  68  12.583   3.441 -13.978
  450    HB2  HIS  68           2HB      HIS  68  12.149   0.606 -14.929
  451    HB3  HIS  68           1HB      HIS  68  13.317   1.788 -15.520
  452    HD1  HIS  68           1HD      HIS  68  13.016  -1.006 -13.229
  453    HD2  HIS  68           2HD      HIS  68  15.330   2.458 -13.381
  454    HE1  HIS  68           1HE      HIS  68  14.956  -1.371 -11.644
  Start of MODEL    2
    1    H    GLY   1           1HT      GLY   1   2.038  13.538  10.079
    2    HA2  GLY   1           1HA      GLY   1   2.853  16.003   9.749
    3    HA3  GLY   1           2HA      GLY   1   3.449  15.315   8.238
    4    H    LYS   2           H        LYS   2   1.787  13.981   7.002
    5    HA   LYS   2           HA       LYS   2  -0.573  15.546   6.560
    6    HB2  LYS   2           2HB      LYS   2  -0.195  12.656   5.741
    7    HB3  LYS   2           1HB      LYS   2  -1.176  13.886   4.943
    8    HG2  LYS   2           2HG      LYS   2   0.948  15.190   4.532
    9    HG3  LYS   2           1HG      LYS   2   1.845  13.793   5.127
   10    HD2  LYS   2           2HD      LYS   2  -0.203  13.221   3.059
   11    HD3  LYS   2           1HD      LYS   2   1.203  14.137   2.515
   12    HE2  LYS   2           2HE      LYS   2   2.533  12.318   2.626
   13    HE3  LYS   2           1HE      LYS   2   1.974  11.932   4.253
   14    HZ1  LYS   2           3HZ      LYS   2   1.383  10.171   2.746
   15    HZ2  LYS   2           1HZ      LYS   2   0.594  11.260   1.712
   16    HZ3  LYS   2           2HZ      LYS   2  -0.030  10.959   3.263
   17    H    GLU   3           H        GLU   3  -2.764  15.046   7.061
   18    HA   GLU   3           HA       GLU   3  -3.078  13.157   9.362
   19    HB2  GLU   3           2HB      GLU   3  -5.161  14.572   9.821
   20    HB3  GLU   3           1HB      GLU   3  -3.611  15.366  10.100
   21    HG2  GLU   3           2HG      GLU   3  -3.736  16.449   7.908
   22    HG3  GLU   3           1HG      GLU   3  -5.243  15.603   7.554
   23    H    CYS   4           H        CYS   4  -3.130  12.093   6.791
   24    HA   CYS   4           HA       CYS   4  -5.851  11.023   6.742
   25    HB2  CYS   4           2HB      CYS   4  -6.079  13.053   5.340
   26    HB3  CYS   4           1HB      CYS   4  -4.762  12.480   4.315
   27    H    ASP   5           H        ASP   5  -5.731   8.893   6.160
   28    HA   ASP   5           HA       ASP   5  -3.169   7.972   4.931
   29    HB2  ASP   5           2HB      ASP   5  -3.637   7.080   7.193
   30    HB3  ASP   5           1HB      ASP   5  -5.168   6.426   6.610
   31    H    CYS   6           H        CYS   6  -6.161   8.744   3.961
   32    HA   CYS   6           HA       CYS   6  -6.043   6.857   1.704
   33    HB2  CYS   6           2HB      CYS   6  -8.272   5.997   1.974
   34    HB3  CYS   6           1HB      CYS   6  -7.445   5.756   3.512
   35    H    SER   7           H        SER   7  -6.591   7.940  -0.132
   36    HA   SER   7           HA       SER   7  -7.566  10.699   0.104
   37    HB2  SER   7           2HB      SER   7  -7.311  10.675  -2.403
   38    HB3  SER   7           1HB      SER   7  -5.833  10.274  -1.532
   39    HG   SER   7           HG       SER   7  -6.268   8.808  -3.241
   40    H    SER   8           H        SER   8  -9.011   7.664  -0.094
   41    HA   SER   8           HA       SER   8 -11.412   8.782  -1.467
   42    HB2  SER   8           2HB      SER   8 -10.279   6.032  -1.187
   43    HB3  SER   8           1HB      SER   8 -12.029   6.193  -1.302
   44    HG   SER   8           HG       SER   8 -11.774   6.566  -3.345
   45    HA   PRO   9           HA       PRO   9 -13.174   8.817   2.622
   46    HB2  PRO   9           2HB      PRO   9 -15.637   9.760   1.844
   47    HB3  PRO   9           1HB      PRO   9 -14.208  10.793   2.035
   48    HG2  PRO   9           2HG      PRO   9 -15.511   9.833  -0.471
   49    HG3  PRO   9           1HG      PRO   9 -14.540  11.289  -0.198
   50    HD2  PRO   9           2HD      PRO   9 -13.641   8.906  -1.433
   51    HD3  PRO   9           1HD      PRO   9 -12.613  10.235  -0.855
   52    H    GLU  10           H        GLU  10 -14.616   7.271  -0.198
   53    HA   GLU  10           HA       GLU  10 -16.646   5.789   1.208
   54    HB2  GLU  10           2HB      GLU  10 -15.664   6.008  -1.485
   55    HB3  GLU  10           1HB      GLU  10 -15.765   4.300  -1.052
   56    HG2  GLU  10           2HG      GLU  10 -18.020   4.336  -1.107
   57    HG3  GLU  10           1HG      GLU  10 -18.083   5.781  -0.096
   58    H    ASN  11           H        ASN  11 -13.272   5.581   1.244
   59    HA   ASN  11           HA       ASN  11 -12.942   2.728   1.496
   60    HB2  ASN  11           2HB      ASN  11 -11.089   4.304   0.957
   61    HB3  ASN  11           1HB      ASN  11 -11.198   4.949   2.596
   62   HD21  ASN  11          1HD2      ASN  11  -8.781   4.004   2.311
   63   HD22  ASN  11          2HD2      ASN  11  -8.577   2.424   2.892
   64    HA   PRO  12           HA       PRO  12 -14.729   2.734   5.624
   65    HB2  PRO  12           2HB      PRO  12 -14.991   0.001   5.744
   66    HB3  PRO  12           1HB      PRO  12 -16.148   1.061   4.921
   67    HG2  PRO  12           2HG      PRO  12 -14.092  -0.748   3.743
   68    HG3  PRO  12           1HG      PRO  12 -15.617  -0.178   3.044
   69    HD2  PRO  12           2HD      PRO  12 -13.034   0.821   2.444
   70    HD3  PRO  12           1HD      PRO  12 -14.579   1.578   2.001
   71    H    CYS  13           H        CYS  13 -11.679   2.078   4.671
   72    HA   CYS  13           HA       CYS  13 -10.922   0.711   7.211
   73    HB2  CYS  13           2HB      CYS  13 -10.017   0.478   4.478
   74    HB3  CYS  13           1HB      CYS  13  -8.666   0.920   5.524
   75    H    CYS  14           H        CYS  14 -11.351   3.756   6.254
   76    HA   CYS  14           HA       CYS  14  -9.145   4.716   7.983
   77    HB2  CYS  14           2HB      CYS  14  -8.500   6.467   6.408
   78    HB3  CYS  14           1HB      CYS  14  -8.327   4.890   5.638
   79    H    ASP  15           H        ASP  15 -10.151   5.833   9.542
   80    HA   ASP  15           HA       ASP  15 -12.808   6.723   9.548
   81    HB2  ASP  15           2HB      ASP  15 -10.887   6.682  11.415
   82    HB3  ASP  15           1HB      ASP  15 -10.793   8.389  10.987
   83    H    ALA  16           H        ALA  16 -13.791   8.245   8.321
   84    HA   ALA  16           HA       ALA  16 -12.315  10.063   6.630
   85    HB1  ALA  16           1HB      ALA  16 -14.343  10.493   5.684
   86    HB2  ALA  16           2HB      ALA  16 -15.121  10.752   7.245
   87    HB3  ALA  16           3HB      ALA  16 -14.883   9.112   6.640
   88    H    ALA  17           H        ALA  17 -13.841  10.319   9.802
   89    HA   ALA  17           HA       ALA  17 -13.950  13.092  10.159
   90    HB1  ALA  17           1HB      ALA  17 -14.670  11.447  11.875
   91    HB2  ALA  17           2HB      ALA  17 -13.587  12.661  12.558
   92    HB3  ALA  17           3HB      ALA  17 -12.980  11.047  12.184
   93    H    THR  18           H        THR  18 -11.139  10.945  10.663
   94    HA   THR  18           HA       THR  18  -9.414  13.377  10.709
   95    HB   THR  18           HB       THR  18  -8.888  12.123  12.621
   96    HG1  THR  18           1HG      THR  18  -6.985  10.731  11.683
   97   HG21  THR  18          3HG2      THR  18  -9.448   9.759  10.849
   98   HG22  THR  18          1HG2      THR  18 -10.155  10.166  12.413
   99   HG23  THR  18          2HG2      THR  18  -8.502   9.558  12.324
  100    H    CYS  19           H        CYS  19 -10.434  10.851   8.700
  101    HA   CYS  19           HA       CYS  19  -9.786  10.347   6.490
  102    HB2  CYS  19           2HB      CYS  19  -8.966  12.885   6.713
  103    HB3  CYS  19           1HB      CYS  19  -7.380  12.115   6.661
  104    H    LYS  20           H        LYS  20  -8.380   9.433   9.192
  105    HA   LYS  20           HA       LYS  20  -6.084   8.094   7.810
  106    HB2  LYS  20           2HB      LYS  20  -6.412   8.820  10.736
  107    HB3  LYS  20           1HB      LYS  20  -5.064   7.891  10.076
  108    HG2  LYS  20           2HG      LYS  20  -5.619  10.428   8.663
  109    HG3  LYS  20           1HG      LYS  20  -5.059  10.616  10.326
  110    HD2  LYS  20           2HD      LYS  20  -3.461   8.583   9.184
  111    HD3  LYS  20           1HD      LYS  20  -3.541   9.877   7.988
  112    HE2  LYS  20           2HE      LYS  20  -2.034  11.027   9.199
  113    HE3  LYS  20           1HE      LYS  20  -3.222  11.141  10.498
  114    HZ1  LYS  20           3HZ      LYS  20  -0.897   9.962  10.822
  115    HZ2  LYS  20           1HZ      LYS  20  -1.763   8.628  10.231
  116    HZ3  LYS  20           2HZ      LYS  20  -2.294   9.434  11.630
  117    H    LEU  21           H        LEU  21  -5.523   5.930   8.896
  118    HA   LEU  21           HA       LEU  21  -7.533   4.051   8.549
  119    HB2  LEU  21           2HB      LEU  21  -5.053   4.055  10.244
  120    HB3  LEU  21           1HB      LEU  21  -6.149   2.673  10.291
  121    HG   LEU  21           HG       LEU  21  -5.699   3.509   7.556
  122   HD11  LEU  21          1HD1      LEU  21  -3.502   4.176   8.880
  123   HD12  LEU  21          2HD1      LEU  21  -3.394   3.358   7.321
  124   HD13  LEU  21          3HD1      LEU  21  -3.197   2.440   8.813
  125   HD21  LEU  21          3HD2      LEU  21  -5.870   1.119   9.198
  126   HD22  LEU  21          1HD2      LEU  21  -4.555   0.987   8.031
  127   HD23  LEU  21          2HD2      LEU  21  -6.197   1.310   7.476
  128    H    ARG  22           H        ARG  22  -9.369   3.547   9.641
  129    HA   ARG  22           HA       ARG  22  -9.868   4.890  12.215
  130    HB2  ARG  22           2HB      ARG  22 -11.811   5.107  11.036
  131    HB3  ARG  22           1HB      ARG  22 -11.536   3.649  10.095
  132    HG2  ARG  22           2HG      ARG  22 -12.335   2.246  11.862
  133    HG3  ARG  22           1HG      ARG  22 -12.276   3.568  13.029
  134    HD2  ARG  22           2HD      ARG  22 -13.919   4.614  11.097
  135    HD3  ARG  22           1HD      ARG  22 -14.354   2.906  11.046
  136    HE   ARG  22           HE       ARG  22 -14.991   3.060  13.406
  137   HH11  ARG  22          1HH1      ARG  22 -16.205   5.459  11.777
  138   HH12  ARG  22          2HH1      ARG  22 -16.055   6.711  12.964
  139   HH21  ARG  22          1HH2      ARG  22 -13.889   4.907  14.980
  140   HH22  ARG  22          2HH2      ARG  22 -14.745   6.399  14.776
  141    HA   PRO  23           HA       PRO  23 -10.384   0.392  13.676
  142    HB2  PRO  23           2HB      PRO  23  -9.969  -1.639  11.871
  143    HB3  PRO  23           1HB      PRO  23 -11.549  -0.884  12.151
  144    HG2  PRO  23           2HG      PRO  23  -9.681  -0.534   9.850
  145    HG3  PRO  23           1HG      PRO  23 -11.443  -0.367   9.900
  146    HD2  PRO  23           2HD      PRO  23  -9.591   1.761   9.907
  147    HD3  PRO  23           1HD      PRO  23 -11.312   1.877  10.326
  148    H    GLY  24           H        GLY  24  -8.800  -1.772  13.695
  149    HA2  GLY  24           2HA      GLY  24  -6.125  -0.660  14.072
  150    HA3  GLY  24           1HA      GLY  24  -6.607  -2.328  14.387
  151    H    ALA  25           H        ALA  25  -6.595  -0.266  11.457
  152    HA   ALA  25           HA       ALA  25  -5.343  -2.546  10.000
  153    HB1  ALA  25           1HB      ALA  25  -7.178  -0.329   9.253
  154    HB2  ALA  25           2HB      ALA  25  -7.110  -1.984   8.648
  155    HB3  ALA  25           3HB      ALA  25  -5.973  -0.778   8.047
  156    H    GLN  26           H        GLN  26  -3.329  -2.289   9.019
  157    HA   GLN  26           HA       GLN  26  -1.705  -0.053   9.950
  158    HB2  GLN  26           2HB      GLN  26  -1.274  -2.651   8.675
  159    HB3  GLN  26           1HB      GLN  26  -0.223  -1.394   8.023
  160    HG2  GLN  26           2HG      GLN  26   1.062  -1.990   9.836
  161    HG3  GLN  26           1HG      GLN  26   0.018  -0.814  10.635
  162   HE21  GLN  26          1HE2      GLN  26   0.527  -2.202  12.626
  163   HE22  GLN  26          2HE2      GLN  26  -0.429  -3.578  12.898
  164    H    CYS  27           H        CYS  27  -3.484  -0.851   7.066
  165    HA   CYS  27           HA       CYS  27  -2.954   1.822   6.003
  166    HB2  CYS  27           2HB      CYS  27  -1.336   1.260   4.539
  167    HB3  CYS  27           1HB      CYS  27  -1.365  -0.392   5.132
  168    H    GLY  28           H        GLY  28  -4.687   2.513   4.762
  169    HA2  GLY  28           2HA      GLY  28  -6.982   0.664   4.607
  170    HA3  GLY  28           1HA      GLY  28  -7.039   2.399   4.319
  171    H    GLU  29           H        GLU  29  -4.579   2.066   2.563
  172    HA   GLU  29           HA       GLU  29  -5.715   0.536   0.307
  173    HB2  GLU  29           2HB      GLU  29  -5.679   2.435  -1.184
  174    HB3  GLU  29           1HB      GLU  29  -6.672   2.842   0.206
  175    HG2  GLU  29           2HG      GLU  29  -5.323   4.741   0.008
  176    HG3  GLU  29           1HG      GLU  29  -4.446   3.782   1.201
  177    H    GLY  30           H        GLY  30  -4.129   0.078  -1.333
  178    HA2  GLY  30           2HA      GLY  30  -1.602   1.029  -1.751
  179    HA3  GLY  30           1HA      GLY  30  -1.382   0.046  -0.304
  180    H    LEU  31           H        LEU  31  -0.018  -0.769  -2.554
  181    HA   LEU  31           HA       LEU  31  -1.662  -2.773  -3.961
  182    HB2  LEU  31           2HB      LEU  31   1.127  -1.714  -4.219
  183    HB3  LEU  31           1HB      LEU  31   0.767  -3.309  -4.881
  184    HG   LEU  31           HG       LEU  31  -1.151  -1.115  -5.482
  185   HD11  LEU  31          1HD1      LEU  31   1.176  -1.378  -7.312
  186   HD12  LEU  31          2HD1      LEU  31   1.447  -0.489  -5.814
  187   HD13  LEU  31          3HD1      LEU  31   0.195   0.039  -6.938
  188   HD21  LEU  31          3HD2      LEU  31  -0.854  -2.406  -7.766
  189   HD22  LEU  31          1HD2      LEU  31  -1.783  -3.137  -6.457
  190   HD23  LEU  31          2HD2      LEU  31  -0.114  -3.635  -6.740
  191    H    CYS  32           H        CYS  32   0.747  -2.585  -1.417
  192    HA   CYS  32           HA       CYS  32   0.690  -5.551  -1.181
  193    HB2  CYS  32           2HB      CYS  32   2.758  -3.582  -0.832
  194    HB3  CYS  32           1HB      CYS  32   2.512  -4.450   0.683
  195    H    CYS  33           H        CYS  33  -1.628  -4.267  -0.406
  196    HA   CYS  33           HA       CYS  33  -1.441  -4.428   2.577
  197    HB2  CYS  33           2HB      CYS  33  -2.845  -2.481   0.802
  198    HB3  CYS  33           1HB      CYS  33  -3.610  -2.911   2.331
  199    H    GLU  34           H        GLU  34  -2.277  -6.406   3.059
  200    HA   GLU  34           HA       GLU  34  -4.698  -7.333   1.592
  201    HB2  GLU  34           2HB      GLU  34  -2.621  -8.723   3.286
  202    HB3  GLU  34           1HB      GLU  34  -4.168  -9.491   2.929
  203    HG2  GLU  34           2HG      GLU  34  -3.499  -8.677   0.445
  204    HG3  GLU  34           1HG      GLU  34  -1.885  -8.903   1.120
  205    H    GLN  35           H        GLN  35  -6.596  -6.837   2.584
  206    HA   GLN  35           HA       GLN  35  -8.169  -6.525   4.301
  207    HB2  GLN  35           2HB      GLN  35  -6.122  -7.822   6.119
  208    HB3  GLN  35           1HB      GLN  35  -7.866  -7.727   6.365
  209    HG2  GLN  35           2HG      GLN  35  -7.064  -8.965   3.811
  210    HG3  GLN  35           1HG      GLN  35  -6.586  -9.874   5.245
  211   HE21  GLN  35          1HE2      GLN  35  -9.475  -7.800   5.125
  212   HE22  GLN  35          2HE2      GLN  35 -10.597  -9.067   5.252
  213    H    CYS  36           H        CYS  36  -6.113  -4.556   3.653
  214    HA   CYS  36           HA       CYS  36  -5.419  -2.469   4.450
  215    HB2  CYS  36           2HB      CYS  36  -7.191  -3.192   6.806
  216    HB3  CYS  36           1HB      CYS  36  -6.513  -1.594   6.486
  217    H    LYS  37           H        LYS  37  -3.944  -4.958   5.046
  218    HA   LYS  37           HA       LYS  37  -2.511  -4.028   7.505
  219    HB2  LYS  37           2HB      LYS  37  -2.916  -6.854   6.475
  220    HB3  LYS  37           1HB      LYS  37  -1.833  -6.429   7.801
  221    HG2  LYS  37           2HG      LYS  37  -3.960  -5.237   8.783
  222    HG3  LYS  37           1HG      LYS  37  -4.833  -6.325   7.703
  223    HD2  LYS  37           2HD      LYS  37  -4.550  -8.018   9.156
  224    HD3  LYS  37           1HD      LYS  37  -2.799  -7.828   9.050
  225    HE2  LYS  37           2HE      LYS  37  -3.189  -5.805  10.672
  226    HE3  LYS  37           1HE      LYS  37  -4.714  -6.616  11.025
  227    HZ1  LYS  37           3HZ      LYS  37  -3.537  -8.584  11.652
  228    HZ2  LYS  37           1HZ      LYS  37  -2.883  -7.278  12.514
  229    HZ3  LYS  37           2HZ      LYS  37  -2.049  -7.915  11.177
  230    H    PHE  38           H        PHE  38  -0.146  -4.456   7.439
  231    HA   PHE  38           HA       PHE  38   0.908  -3.927   4.749
  232    HB2  PHE  38           2HB      PHE  38   2.227  -4.157   7.466
  233    HB3  PHE  38           1HB      PHE  38   3.115  -3.823   5.981
  234    HD1  PHE  38           2HD      PHE  38   1.006  -2.101   4.606
  235    HD2  PHE  38           1HD      PHE  38   2.555  -2.086   8.614
  236    HE1  PHE  38           2HE      PHE  38   0.450   0.304   4.812
  237    HE2  PHE  38           1HE      PHE  38   2.002   0.323   8.817
  238    HZ   PHE  38           HZ       PHE  38   0.948   1.517   6.917
  239    H    SER  39           H        SER  39   1.462  -5.563   3.402
  240    HA   SER  39           HA       SER  39   1.544  -8.310   4.207
  241    HB2  SER  39           2HB      SER  39   2.810  -7.025   1.768
  242    HB3  SER  39           1HB      SER  39   2.449  -8.737   1.968
  243    HG   SER  39           HG       SER  39   0.515  -8.290   1.312
  244    H    ARG  40           H        ARG  40   3.966  -9.218   2.977
  245    HA   ARG  40           HA       ARG  40   5.871  -8.428   5.120
  246    HB2  ARG  40           2HB      ARG  40   5.315 -10.893   3.616
  247    HB3  ARG  40           1HB      ARG  40   7.036 -10.523   3.728
  248    HG2  ARG  40           2HG      ARG  40   7.000 -10.530   6.096
  249    HG3  ARG  40           1HG      ARG  40   5.241 -10.412   6.152
  250    HD2  ARG  40           2HD      ARG  40   4.952 -12.657   5.462
  251    HD3  ARG  40           1HD      ARG  40   6.613 -12.781   4.883
  252    HE   ARG  40           HE       ARG  40   7.191 -12.487   7.422
  253   HH11  ARG  40          1HH2      ARG  40   4.393 -12.578   8.392
  254   HH12  ARG  40          2HH2      ARG  40   4.162 -14.260   8.733
  255   HH21  ARG  40          1HH1      ARG  40   6.902 -15.287   6.873
  256   HH22  ARG  40          2HH1      ARG  40   5.582 -15.794   7.874
  257    H    ALA  41           H        ALA  41   8.223  -8.272   4.406
  258    HA   ALA  41           HA       ALA  41   8.417  -6.411   2.176
  259    HB1  ALA  41           1HB      ALA  41   9.932  -6.954   4.453
  260    HB2  ALA  41           2HB      ALA  41  10.368  -5.834   3.163
  261    HB3  ALA  41           3HB      ALA  41  10.959  -7.495   3.125
  262    H    GLY  42           H        GLY  42  10.056  -6.764   0.403
  263    HA2  GLY  42           2HA      GLY  42  10.932  -8.056  -1.360
  264    HA3  GLY  42           1HA      GLY  42  10.835  -9.461  -0.297
  265    H    LYS  43           H        LYS  43   8.015  -7.481  -0.849
  266    HA   LYS  43           HA       LYS  43   6.780  -9.794  -2.271
  267    HB2  LYS  43           2HB      LYS  43   5.512  -9.128  -0.345
  268    HB3  LYS  43           1HB      LYS  43   5.586  -7.427  -0.810
  269    HG2  LYS  43           2HG      LYS  43   3.392  -8.368  -1.392
  270    HG3  LYS  43           1HG      LYS  43   4.279  -7.941  -2.852
  271    HD2  LYS  43           2HD      LYS  43   4.933 -10.259  -3.188
  272    HD3  LYS  43           1HD      LYS  43   4.204 -10.722  -1.649
  273    HE2  LYS  43           2HE      LYS  43   2.580  -9.399  -3.822
  274    HE3  LYS  43           1HE      LYS  43   2.814 -11.147  -3.782
  275    HZ1  LYS  43           3HZ      LYS  43   1.926 -11.156  -1.519
  276    HZ2  LYS  43           1HZ      LYS  43   0.799 -10.543  -2.627
  277    HZ3  LYS  43           2HZ      LYS  43   1.654  -9.482  -1.612
  278    H    ILE  44           H        ILE  44   6.220  -9.625  -4.396
  279    HA   ILE  44           HA       ILE  44   7.034  -7.281  -5.893
  280    HB   ILE  44           HB       ILE  44   7.218  -9.434  -6.955
  281   HG12  ILE  44          2HG1      ILE  44   5.722  -9.092  -8.967
  282   HG13  ILE  44          1HG1      ILE  44   4.951  -7.770  -8.088
  283   HG21  ILE  44          1HG2      ILE  44   4.759  -9.911  -5.613
  284   HG22  ILE  44          2HG2      ILE  44   5.724 -11.060  -6.540
  285   HG23  ILE  44          3HG2      ILE  44   4.459 -10.125  -7.338
  286   HD11  ILE  44          3HD1      ILE  44   6.697  -6.373  -8.440
  287   HD12  ILE  44          1HD1      ILE  44   7.196  -7.523  -9.680
  288   HD13  ILE  44          2HD1      ILE  44   7.880  -7.623  -8.058
  289    H    CYS  45           H        CYS  45   5.769  -5.493  -5.264
  290    HA   CYS  45           HA       CYS  45   2.881  -5.605  -5.024
  291    HB2  CYS  45           2HB      CYS  45   4.953  -3.682  -4.581
  292    HB3  CYS  45           1HB      CYS  45   3.744  -2.949  -5.630
  293    H    ARG  46           H        ARG  46   5.000  -5.541  -7.678
  294    HA   ARG  46           HA       ARG  46   2.754  -5.323  -9.540
  295    HB2  ARG  46           2HB      ARG  46   3.929  -2.934  -8.850
  296    HB3  ARG  46           1HB      ARG  46   4.852  -3.391 -10.282
  297    HG2  ARG  46           2HG      ARG  46   1.863  -3.638 -10.339
  298    HG3  ARG  46           1HG      ARG  46   2.597  -2.047 -10.543
  299    HD2  ARG  46           2HD      ARG  46   4.078  -3.107 -12.331
  300    HD3  ARG  46           1HD      ARG  46   3.011  -4.509 -12.248
  301    HE   ARG  46           HE       ARG  46   2.211  -1.800 -13.190
  302   HH11  ARG  46          1HH1      ARG  46   2.137  -4.037 -15.102
  303   HH12  ARG  46          2HH1      ARG  46   0.491  -4.569 -15.021
  304   HH21  ARG  46          1HH2      ARG  46  -0.159  -2.959 -12.019
  305   HH22  ARG  46          2HH2      ARG  46  -0.810  -3.958 -13.274
  306    H    ILE  47           H        ILE  47   3.212  -6.958 -10.930
  307    HA   ILE  47           HA       ILE  47   5.859  -8.060 -11.226
  308    HB   ILE  47           HB       ILE  47   4.004  -9.530 -11.590
  309   HG12  ILE  47          2HG1      ILE  47   4.467 -10.405 -13.810
  310   HG13  ILE  47          1HG1      ILE  47   5.110  -8.847 -14.332
  311   HG21  ILE  47          1HG2      ILE  47   3.051  -7.276 -13.306
  312   HG22  ILE  47          2HG2      ILE  47   2.149  -8.283 -12.173
  313   HG23  ILE  47          3HG2      ILE  47   2.578  -8.912 -13.764
  314   HD11  ILE  47          3HD1      ILE  47   7.063  -9.083 -13.093
  315   HD12  ILE  47          1HD1      ILE  47   6.752 -10.760 -13.540
  316   HD13  ILE  47          2HD1      ILE  47   6.316 -10.181 -11.932
  317    H    ALA  48           H        ALA  48   7.480  -7.223 -12.431
  318    HA   ALA  48           HA       ALA  48   7.120  -4.954 -14.162
  319    HB1  ALA  48           1HB      ALA  48   9.309  -4.947 -13.537
  320    HB2  ALA  48           2HB      ALA  48   9.533  -6.013 -14.925
  321    HB3  ALA  48           3HB      ALA  48   9.344  -6.696 -13.309
  322    H    ARG  49           H        ARG  49   6.975  -4.866 -16.416
  323    HA   ARG  49           HA       ARG  49   5.911  -7.199 -17.744
  324    HB2  ARG  49           2HB      ARG  49   6.766  -4.480 -18.757
  325    HB3  ARG  49           1HB      ARG  49   6.116  -5.729 -19.817
  326    HG2  ARG  49           2HG      ARG  49   4.129  -4.723 -19.273
  327    HG3  ARG  49           1HG      ARG  49   4.246  -5.798 -17.881
  328    HD2  ARG  49           2HD      ARG  49   3.746  -3.526 -17.125
  329    HD3  ARG  49           1HD      ARG  49   5.365  -3.982 -16.602
  330    HE   ARG  49           HE       ARG  49   5.608  -2.677 -19.111
  331   HH11  ARG  49          1HH2      ARG  49   5.662  -2.235 -15.762
  332   HH12  ARG  49          2HH2      ARG  49   5.666  -0.504 -15.822
  333   HH21  ARG  49          1HH1      ARG  49   5.173  -0.358 -19.252
  334   HH22  ARG  49          2HH1      ARG  49   5.389   0.559 -17.799
  335    H    GLY  50           H        GLY  50   9.098  -5.979 -17.253
  336    HA2  GLY  50           2HA      GLY  50  10.697  -7.984 -17.800
  337    HA3  GLY  50           1HA      GLY  50  10.146  -7.700 -19.446
  338    H    ASP  51           H        ASP  51  12.841  -7.426 -18.157
  339    HA   ASP  51           HA       ASP  51  14.685  -6.080 -18.657
  340    HB2  ASP  51           2HB      ASP  51  12.649  -5.018 -20.354
  341    HB3  ASP  51           1HB      ASP  51  13.540  -3.673 -19.647
  342    H    TRP  52           H        TRP  52  12.017  -4.991 -16.735
  343    HA   TRP  52           HA       TRP  52  13.812  -2.951 -15.486
  344    HB2  TRP  52           2HB      TRP  52  11.219  -2.882 -14.282
  345    HB3  TRP  52           1HB      TRP  52  12.008  -1.637 -15.242
  346    HD1  TRP  52           HD       TRP  52   9.003  -3.622 -15.209
  347    HE1  TRP  52           1HE      TRP  52   7.922  -3.750 -17.542
  348    HE3  TRP  52           3HE      TRP  52  12.879  -1.944 -18.069
  349    HZ2  TRP  52           2HZ      TRP  52   8.607  -3.224 -20.264
  350    HZ3  TRP  52           3HZ      TRP  52  12.641  -1.774 -20.533
  351    HH2  TRP  52           HH       TRP  52  10.510  -2.412 -21.630
  352    H    ASN  53           H        ASN  53  12.695  -2.861 -12.945
  353    HA   ASN  53           HA       ASN  53  13.651  -5.453 -11.854
  354    HB2  ASN  53           2HB      ASN  53  13.460  -2.653 -10.844
  355    HB3  ASN  53           1HB      ASN  53  13.300  -3.947  -9.657
  356   HD21  ASN  53          1HD2      ASN  53  15.419  -3.220 -12.502
  357   HD22  ASN  53          2HD2      ASN  53  16.852  -3.712 -11.736
  358    H    ASP  54           H        ASP  54  12.348  -5.528  -9.425
  359    HA   ASP  54           HA       ASP  54   9.470  -5.747 -10.213
  360    HB2  ASP  54           2HB      ASP  54  10.584  -7.505  -8.069
  361    HB3  ASP  54           1HB      ASP  54   9.306  -7.834  -9.238
  362    H    ASP  55           H        ASP  55   8.016  -4.812  -8.805
  363    HA   ASP  55           HA       ASP  55   8.995  -3.018  -6.778
  364    HB2  ASP  55           2HB      ASP  55   6.847  -2.753  -8.097
  365    HB3  ASP  55           1HB      ASP  55   6.155  -4.021  -7.084
  366    H    ARG  56           H        ARG  56  10.186  -4.317  -5.290
  367    HA   ARG  56           HA       ARG  56   8.797  -6.494  -3.869
  368    HB2  ARG  56           2HB      ARG  56  11.528  -5.259  -3.383
  369    HB3  ARG  56           1HB      ARG  56  10.927  -6.760  -2.680
  370    HG2  ARG  56           2HG      ARG  56  10.705  -6.670  -5.608
  371    HG3  ARG  56           1HG      ARG  56  12.368  -6.583  -5.024
  372    HD2  ARG  56           2HD      ARG  56  12.005  -8.601  -3.659
  373    HD3  ARG  56           1HD      ARG  56  10.336  -8.688  -4.221
  374    HE   ARG  56           HE       ARG  56  11.212  -9.174  -6.483
  375   HH11  ARG  56          1HH2      ARG  56  12.251 -11.387  -4.783
  376   HH12  ARG  56          2HH2      ARG  56  13.938 -11.400  -5.176
  377   HH21  ARG  56          1HH1      ARG  56  13.904  -8.234  -6.591
  378   HH22  ARG  56          2HH1      ARG  56  14.874  -9.615  -6.201
  379    H    CYS  57           H        CYS  57   7.287  -5.807  -2.415
  380    HA   CYS  57           HA       CYS  57   7.226  -3.272  -1.136
  381    HB2  CYS  57           2HB      CYS  57   6.131  -5.792   0.122
  382    HB3  CYS  57           1HB      CYS  57   5.496  -4.152   0.235
  383    H    THR  58           H        THR  58   7.826  -2.660   1.004
  384    HA   THR  58           HA       THR  58  10.236  -4.024   1.980
  385    HB   THR  58           HB       THR  58  10.268  -2.103   3.621
  386    HG1  THR  58           1HG      THR  58   8.125  -1.592   3.715
  387   HG21  THR  58          3HG2      THR  58  10.052  -0.553   1.223
  388   HG22  THR  58          1HG2      THR  58  10.731  -2.128   0.810
  389   HG23  THR  58          2HG2      THR  58  11.514  -1.123   2.029
  390    H    GLY  59           H        GLY  59   6.969  -4.415   2.486
  391    HA2  GLY  59           2HA      GLY  59   6.107  -6.074   4.015
  392    HA3  GLY  59           1HA      GLY  59   7.504  -5.803   5.055
  393    H    GLN  60           H        GLN  60   7.048  -2.795   4.660
  394    HA   GLN  60           HA       GLN  60   4.707  -2.564   6.510
  395    HB2  GLN  60           2HB      GLN  60   5.854  -0.880   7.760
  396    HB3  GLN  60           1HB      GLN  60   7.012  -2.194   7.553
  397    HG2  GLN  60           2HG      GLN  60   7.683  -0.867   5.378
  398    HG3  GLN  60           1HG      GLN  60   6.943   0.494   6.220
  399   HE21  GLN  60          1HE2      GLN  60   8.935  -2.260   7.438
  400   HE22  GLN  60          2HE2      GLN  60  10.096  -1.276   8.191
  401    H    SER  61           H        SER  61   5.973  -1.725   3.505
  402    HA   SER  61           HA       SER  61   4.616   0.909   3.416
  403    HB2  SER  61           2HB      SER  61   5.991  -0.518   1.134
  404    HB3  SER  61           1HB      SER  61   5.628   1.198   1.266
  405    HG   SER  61           HG       SER  61   7.124   0.148   3.336
  406    H    ALA  62           H        ALA  62   2.817   1.327   2.104
  407    HA   ALA  62           HA       ALA  62   1.367  -1.103   1.114
  408    HB1  ALA  62           1HB      ALA  62  -0.698   0.247   1.429
  409    HB2  ALA  62           2HB      ALA  62   0.278   1.580   2.045
  410    HB3  ALA  62           3HB      ALA  62   0.191   0.064   2.941
  411    H    ASP  63           H        ASP  63   1.926   2.371   0.474
  412    HA   ASP  63           HA       ASP  63   0.956   2.117  -2.281
  413    HB2  ASP  63           2HB      ASP  63   2.538   4.398  -1.049
  414    HB3  ASP  63           1HB      ASP  63   1.535   4.459  -2.499
  415    H    CYS  64           H        CYS  64   2.554   0.254  -2.535
  416    HA   CYS  64           HA       CYS  64   5.334   0.491  -2.574
  417    HB2  CYS  64           2HB      CYS  64   3.717  -0.956  -4.680
  418    HB3  CYS  64           1HB      CYS  64   5.343  -1.352  -4.120
  419    HA   PRO  65           HA       PRO  65   6.178   3.448  -5.648
  420    HB2  PRO  65           2HB      PRO  65   8.852   2.913  -5.817
  421    HB3  PRO  65           1HB      PRO  65   8.133   3.814  -4.486
  422    HG2  PRO  65           2HG      PRO  65   9.206   1.045  -4.533
  423    HG3  PRO  65           1HG      PRO  65   8.993   2.139  -3.157
  424    HD2  PRO  65           2HD      PRO  65   7.307  -0.032  -3.867
  425    HD3  PRO  65           1HD      PRO  65   6.984   1.207  -2.638
  426    H    ARG  66           H        ARG  66   7.612   3.474  -7.783
  427    HA   ARG  66           HA       ARG  66   7.496   0.848  -9.176
  428    HB2  ARG  66           2HB      ARG  66   5.911   3.287  -9.790
  429    HB3  ARG  66           1HB      ARG  66   6.649   2.474 -11.170
  430    HG2  ARG  66           2HG      ARG  66   5.677   0.301 -10.096
  431    HG3  ARG  66           1HG      ARG  66   4.624   1.409  -9.217
  432    HD2  ARG  66           2HD      ARG  66   4.930   1.373 -12.233
  433    HD3  ARG  66           1HD      ARG  66   3.611   0.597 -11.356
  434    HE   ARG  66           HE       ARG  66   3.533   3.201 -10.443
  435   HH11  ARG  66          1HH2      ARG  66   2.757   1.392 -13.204
  436   HH12  ARG  66          2HH2      ARG  66   2.211   2.747 -14.135
  437   HH21  ARG  66          1HH1      ARG  66   3.186   5.095 -11.776
  438   HH22  ARG  66          2HH1      ARG  66   2.454   4.845 -13.325
  439    H    TYR  67           H        TYR  67   8.652   1.077 -11.385
  440    HA   TYR  67           HA       TYR  67  10.738   3.202 -11.303
  441    HB2  TYR  67           2HB      TYR  67  11.423   0.317 -11.892
  442    HB3  TYR  67           1HB      TYR  67  12.527   1.654 -11.568
  443    HD1  TYR  67           1HD      TYR  67  12.450   2.753  -9.248
  444    HD2  TYR  67           2HD      TYR  67  10.604  -1.024 -10.133
  445    HE1  TYR  67           1HE      TYR  67  12.390   2.214  -6.827
  446    HE2  TYR  67           2HE      TYR  67  10.543  -1.561  -7.714
  447    HH   TYR  67           HH       TYR  67  12.310   0.120  -5.413
  448    H    HIS  68           H        HIS  68   8.294   2.493 -12.979
  449    HA   HIS  68           HA       HIS  68   9.423   3.197 -15.535
  450    HB2  HIS  68           2HB      HIS  68   9.394   0.414 -14.918
  451    HB3  HIS  68           1HB      HIS  68   8.146   0.703 -16.131
  452    HD1  HIS  68           1HD      HIS  68  11.813   1.581 -15.542
  453    HD2  HIS  68           2HD      HIS  68   9.157   0.948 -18.692
  454    HE1  HIS  68           1HE      HIS  68  13.182   1.711 -17.669
  Start of MODEL    3
    1    H    GLY   1           1HT      GLY   1   2.582  12.853  10.821
    2    HA2  GLY   1           1HA      GLY   1   1.627  15.420  10.869
    3    HA3  GLY   1           2HA      GLY   1   2.645  14.703   9.621
    4    H    LYS   2           H        LYS   2   0.852  12.859   8.509
    5    HA   LYS   2           HA       LYS   2  -0.765  14.618   6.861
    6    HB2  LYS   2           2HB      LYS   2  -0.806  11.589   7.017
    7    HB3  LYS   2           1HB      LYS   2  -1.427  12.579   5.696
    8    HG2  LYS   2           2HG      LYS   2   0.809  13.402   5.197
    9    HG3  LYS   2           1HG      LYS   2   1.468  12.553   6.595
   10    HD2  LYS   2           2HD      LYS   2   1.955  11.050   4.881
   11    HD3  LYS   2           1HD      LYS   2   0.401  10.436   5.447
   12    HE2  LYS   2           2HE      LYS   2   0.044  12.537   3.469
   13    HE3  LYS   2           1HE      LYS   2   1.026  11.218   2.830
   14    HZ1  LYS   2           3HZ      LYS   2  -1.384  10.887   2.524
   15    HZ2  LYS   2           1HZ      LYS   2  -1.579  10.855   4.209
   16    HZ3  LYS   2           2HZ      LYS   2  -0.658   9.653   3.438
   17    H    GLU   3           H        GLU   3  -3.057  14.748   6.804
   18    HA   GLU   3           HA       GLU   3  -4.377  13.861   9.329
   19    HB2  GLU   3           2HB      GLU   3  -5.464  15.839   7.315
   20    HB3  GLU   3           1HB      GLU   3  -5.946  15.628   8.999
   21    HG2  GLU   3           2HG      GLU   3  -4.414  17.155   9.615
   22    HG3  GLU   3           1HG      GLU   3  -3.141  16.113   8.979
   23    H    CYS   4           H        CYS   4  -4.085  12.946   6.123
   24    HA   CYS   4           HA       CYS   4  -6.602  11.383   6.347
   25    HB2  CYS   4           2HB      CYS   4  -7.054  13.296   4.838
   26    HB3  CYS   4           1HB      CYS   4  -5.689  12.811   3.831
   27    H    ASP   5           H        ASP   5  -6.213   9.252   5.966
   28    HA   ASP   5           HA       ASP   5  -3.620   8.543   4.661
   29    HB2  ASP   5           2HB      ASP   5  -4.418   7.849   7.154
   30    HB3  ASP   5           1HB      ASP   5  -5.094   6.501   6.239
   31    H    CYS   6           H        CYS   6  -6.755   8.825   3.868
   32    HA   CYS   6           HA       CYS   6  -6.532   6.718   1.808
   33    HB2  CYS   6           2HB      CYS   6  -8.815   5.872   2.290
   34    HB3  CYS   6           1HB      CYS   6  -7.723   5.597   3.648
   35    H    SER   7           H        SER   7  -6.845   7.882  -0.025
   36    HA   SER   7           HA       SER   7  -8.198  10.421  -0.077
   37    HB2  SER   7           2HB      SER   7  -8.182   9.331  -2.694
   38    HB3  SER   7           1HB      SER   7  -7.056  10.501  -2.013
   39    HG   SER   7           HG       SER   7  -6.840   7.724  -2.281
   40    H    SER   8           H        SER   8  -9.355   7.215  -0.059
   41    HA   SER   8           HA       SER   8 -11.876   7.934  -1.441
   42    HB2  SER   8           2HB      SER   8 -11.134   5.285  -0.182
   43    HB3  SER   8           1HB      SER   8 -12.399   5.589  -1.368
   44    HG   SER   8           HG       SER   8 -10.947   5.603  -2.905
   45    HA   PRO   9           HA       PRO   9 -13.483   8.808   2.655
   46    HB2  PRO   9           2HB      PRO   9 -15.869   9.835   1.749
   47    HB3  PRO   9           1HB      PRO   9 -14.359  10.763   1.800
   48    HG2  PRO   9           2HG      PRO   9 -15.753   9.572  -0.553
   49    HG3  PRO   9           1HG      PRO   9 -14.675  10.975  -0.480
   50    HD2  PRO   9           2HD      PRO   9 -13.961   8.392  -1.380
   51    HD3  PRO   9           1HD      PRO   9 -12.830   9.700  -0.968
   52    H    GLU  10           H        GLU  10 -14.513   6.583   0.314
   53    HA   GLU  10           HA       GLU  10 -16.793   5.606   1.951
   54    HB2  GLU  10           2HB      GLU  10 -16.762   5.837  -0.662
   55    HB3  GLU  10           1HB      GLU  10 -15.855   4.326  -0.605
   56    HG2  GLU  10           2HG      GLU  10 -17.665   3.111   0.071
   57    HG3  GLU  10           1HG      GLU  10 -18.284   4.414   1.087
   58    H    ASN  11           H        ASN  11 -13.664   5.357   2.311
   59    HA   ASN  11           HA       ASN  11 -13.402   2.420   2.426
   60    HB2  ASN  11           2HB      ASN  11 -11.584   4.203   1.745
   61    HB3  ASN  11           1HB      ASN  11 -11.352   4.340   3.488
   62   HD21  ASN  11          1HD2      ASN  11  -9.345   3.246   1.707
   63   HD22  ASN  11          2HD2      ASN  11  -9.139   1.610   2.107
   64    HA   PRO  12           HA       PRO  12 -14.789   2.659   6.680
   65    HB2  PRO  12           2HB      PRO  12 -14.815  -0.062   7.078
   66    HB3  PRO  12           1HB      PRO  12 -16.110   0.820   6.249
   67    HG2  PRO  12           2HG      PRO  12 -13.987  -0.926   5.089
   68    HG3  PRO  12           1HG      PRO  12 -15.606  -0.565   4.468
   69    HD2  PRO  12           2HD      PRO  12 -13.193   0.580   3.545
   70    HD3  PRO  12           1HD      PRO  12 -14.829   1.177   3.194
   71    H    CYS  13           H        CYS  13 -11.839   1.424   5.432
   72    HA   CYS  13           HA       CYS  13 -10.699   0.498   7.934
   73    HB2  CYS  13           2HB      CYS  13 -10.000   0.080   5.392
   74    HB3  CYS  13           1HB      CYS  13  -8.970   1.478   5.701
   75    H    CYS  14           H        CYS  14 -11.251   3.594   6.547
   76    HA   CYS  14           HA       CYS  14  -9.485   4.789   8.638
   77    HB2  CYS  14           2HB      CYS  14  -8.976   6.633   7.062
   78    HB3  CYS  14           1HB      CYS  14  -8.422   5.078   6.441
   79    H    ASP  15           H        ASP  15 -10.395   6.419   9.814
   80    HA   ASP  15           HA       ASP  15 -13.243   6.779   9.761
   81    HB2  ASP  15           2HB      ASP  15 -11.520   7.159  11.699
   82    HB3  ASP  15           1HB      ASP  15 -11.361   8.772  11.004
   83    H    ALA  16           H        ALA  16 -14.400   8.072   8.421
   84    HA   ALA  16           HA       ALA  16 -13.110   9.762   6.465
   85    HB1  ALA  16           1HB      ALA  16 -15.214   8.738   5.886
   86    HB2  ALA  16           2HB      ALA  16 -15.490  10.479   5.966
   87    HB3  ALA  16           3HB      ALA  16 -16.006   9.441   7.296
   88    H    ALA  17           H        ALA  17 -14.806  10.365   9.523
   89    HA   ALA  17           HA       ALA  17 -15.059  13.151   9.429
   90    HB1  ALA  17           1HB      ALA  17 -15.710  11.506  11.319
   91    HB2  ALA  17           2HB      ALA  17 -15.160  13.113  11.796
   92    HB3  ALA  17           3HB      ALA  17 -14.062  11.736  11.904
   93    H    THR  18           H        THR  18 -12.169  11.202   9.982
   94    HA   THR  18           HA       THR  18 -10.578  13.730  10.109
   95    HB   THR  18           HB       THR  18  -8.810  12.333  11.172
   96    HG1  THR  18           1HG      THR  18  -9.811  10.241  11.963
   97   HG21  THR  18          3HG2      THR  18  -9.731  12.608  13.246
   98   HG22  THR  18          1HG2      THR  18 -11.201  11.732  12.821
   99   HG23  THR  18          2HG2      THR  18 -11.003  13.416  12.333
  100    H    CYS  19           H        CYS  19 -11.212  10.859   8.299
  101    HA   CYS  19           HA       CYS  19 -10.485  10.342   6.107
  102    HB2  CYS  19           2HB      CYS  19  -9.946  12.965   6.173
  103    HB3  CYS  19           1HB      CYS  19  -8.288  12.363   6.191
  104    H    LYS  20           H        LYS  20  -9.042   9.788   8.899
  105    HA   LYS  20           HA       LYS  20  -6.615   8.573   7.629
  106    HB2  LYS  20           2HB      LYS  20  -6.870   9.149  10.578
  107    HB3  LYS  20           1HB      LYS  20  -5.407   8.847   9.639
  108    HG2  LYS  20           2HG      LYS  20  -5.714  10.973   8.442
  109    HG3  LYS  20           1HG      LYS  20  -7.202  11.276   9.339
  110    HD2  LYS  20           2HD      LYS  20  -5.399  12.509  10.399
  111    HD3  LYS  20           1HD      LYS  20  -5.874  11.185  11.463
  112    HE2  LYS  20           2HE      LYS  20  -3.347  11.529  11.069
  113    HE3  LYS  20           1HE      LYS  20  -3.975   9.891  10.891
  114    HZ1  LYS  20           3HZ      LYS  20  -3.932  11.644   8.542
  115    HZ2  LYS  20           1HZ      LYS  20  -3.778   9.957   8.632
  116    HZ3  LYS  20           2HZ      LYS  20  -2.469  10.953   9.061
  117    H    LEU  21           H        LEU  21  -5.841   6.610   9.033
  118    HA   LEU  21           HA       LEU  21  -7.694   4.526   8.792
  119    HB2  LEU  21           2HB      LEU  21  -5.140   4.905  10.265
  120    HB3  LEU  21           1HB      LEU  21  -6.143   3.539  10.758
  121    HG   LEU  21           HG       LEU  21  -6.242   3.448   7.982
  122   HD11  LEU  21          1HD1      LEU  21  -3.586   4.460   8.955
  123   HD12  LEU  21          2HD1      LEU  21  -4.483   4.908   7.504
  124   HD13  LEU  21          3HD1      LEU  21  -3.648   3.356   7.581
  125   HD21  LEU  21          3HD2      LEU  21  -5.536   1.811  10.123
  126   HD22  LEU  21          1HD2      LEU  21  -4.083   1.842   9.123
  127   HD23  LEU  21          2HD2      LEU  21  -5.619   1.320   8.431
  128    H    ARG  22           H        ARG  22  -8.314   3.136  10.893
  129    HA   ARG  22           HA       ARG  22  -9.289   4.936  13.032
  130    HB2  ARG  22           2HB      ARG  22 -11.255   4.996  11.826
  131    HB3  ARG  22           1HB      ARG  22 -11.019   3.396  11.138
  132    HG2  ARG  22           2HG      ARG  22 -11.726   2.316  13.136
  133    HG3  ARG  22           1HG      ARG  22 -11.510   3.778  14.095
  134    HD2  ARG  22           2HD      ARG  22 -13.344   4.389  12.000
  135    HD3  ARG  22           1HD      ARG  22 -13.868   2.881  12.749
  136    HE   ARG  22           HE       ARG  22 -13.273   5.276  14.433
  137   HH11  ARG  22          1HH1      ARG  22 -14.346   2.416  15.204
  138   HH12  ARG  22          2HH1      ARG  22 -15.988   2.823  15.569
  139   HH21  ARG  22          1HH2      ARG  22 -15.820   5.956  14.093
  140   HH22  ARG  22          2HH2      ARG  22 -16.824   4.827  14.940
  141    HA   PRO  23           HA       PRO  23  -9.587   0.549  14.810
  142    HB2  PRO  23           2HB      PRO  23  -9.269  -1.609  13.132
  143    HB3  PRO  23           1HB      PRO  23 -10.838  -0.876  13.510
  144    HG2  PRO  23           2HG      PRO  23  -9.187  -0.616  11.027
  145    HG3  PRO  23           1HG      PRO  23 -10.948  -0.559  11.217
  146    HD2  PRO  23           2HD      PRO  23  -9.321   1.682  10.877
  147    HD3  PRO  23           1HD      PRO  23 -10.956   1.703  11.566
  148    H    GLY  24           H        GLY  24  -7.963  -1.736  14.474
  149    HA2  GLY  24           2HA      GLY  24  -5.323  -0.553  14.903
  150    HA3  GLY  24           1HA      GLY  24  -5.736  -2.256  15.084
  151    H    ALA  25           H        ALA  25  -6.804  -0.995  12.106
  152    HA   ALA  25           HA       ALA  25  -5.006  -2.679  10.610
  153    HB1  ALA  25           1HB      ALA  25  -6.971  -2.323   9.430
  154    HB2  ALA  25           2HB      ALA  25  -5.953  -1.093   8.682
  155    HB3  ALA  25           3HB      ALA  25  -7.098  -0.641   9.944
  156    H    GLN  26           H        GLN  26  -3.132  -2.079   9.404
  157    HA   GLN  26           HA       GLN  26  -1.827   0.372  10.380
  158    HB2  GLN  26           2HB      GLN  26   0.175  -0.558   9.580
  159    HB3  GLN  26           1HB      GLN  26  -0.758  -1.984  10.034
  160    HG2  GLN  26           2HG      GLN  26  -0.023  -2.571   7.901
  161    HG3  GLN  26           1HG      GLN  26  -1.606  -1.880   7.549
  162   HE21  GLN  26          1HE2      GLN  26   0.143  -1.797   5.443
  163   HE22  GLN  26          2HE2      GLN  26   0.762  -0.233   5.219
  164    H    CYS  27           H        CYS  27  -3.355  -0.782   7.444
  165    HA   CYS  27           HA       CYS  27  -2.965   1.917   6.254
  166    HB2  CYS  27           2HB      CYS  27  -2.455   0.770   4.056
  167    HB3  CYS  27           1HB      CYS  27  -1.182   0.643   5.273
  168    H    GLY  28           H        GLY  28  -4.676   2.562   4.941
  169    HA2  GLY  28           2HA      GLY  28  -7.044   0.761   4.956
  170    HA3  GLY  28           1HA      GLY  28  -7.104   2.509   4.746
  171    H    GLU  29           H        GLU  29  -4.778   2.393   2.886
  172    HA   GLU  29           HA       GLU  29  -5.863   0.879   0.593
  173    HB2  GLU  29           2HB      GLU  29  -6.200   2.763  -0.786
  174    HB3  GLU  29           1HB      GLU  29  -6.919   3.228   0.749
  175    HG2  GLU  29           2HG      GLU  29  -5.611   5.071   0.625
  176    HG3  GLU  29           1HG      GLU  29  -4.281   3.997   1.061
  177    H    GLY  30           H        GLY  30  -4.257   0.542  -1.057
  178    HA2  GLY  30           2HA      GLY  30  -1.837   1.744  -1.495
  179    HA3  GLY  30           1HA      GLY  30  -1.505   0.767  -0.064
  180    H    LEU  31           H        LEU  31  -0.254   0.334  -2.597
  181    HA   LEU  31           HA       LEU  31  -1.555  -1.812  -4.040
  182    HB2  LEU  31           2HB      LEU  31   1.201  -0.623  -3.989
  183    HB3  LEU  31           1HB      LEU  31   0.959  -2.184  -4.774
  184    HG   LEU  31           HG       LEU  31  -1.096  -0.236  -5.492
  185   HD11  LEU  31          1HD1      LEU  31   1.502   0.807  -5.259
  186   HD12  LEU  31          2HD1      LEU  31   0.152   1.525  -6.139
  187   HD13  LEU  31          3HD1      LEU  31   1.290   0.471  -6.978
  188   HD21  LEU  31          3HD2      LEU  31  -0.459  -1.023  -7.766
  189   HD22  LEU  31          1HD2      LEU  31  -0.750  -2.366  -6.663
  190   HD23  LEU  31          2HD2      LEU  31   0.901  -1.896  -7.061
  191    H    CYS  32           H        CYS  32   0.740  -1.646  -1.363
  192    HA   CYS  32           HA       CYS  32   0.870  -4.615  -1.283
  193    HB2  CYS  32           2HB      CYS  32   2.376  -2.590   0.394
  194    HB3  CYS  32           1HB      CYS  32   2.716  -4.314   0.262
  195    H    CYS  33           H        CYS  33  -1.140  -2.290  -0.102
  196    HA   CYS  33           HA       CYS  33  -1.321  -3.277   2.652
  197    HB2  CYS  33           2HB      CYS  33  -1.843  -0.913   2.116
  198    HB3  CYS  33           1HB      CYS  33  -3.205  -1.444   1.134
  199    H    GLU  34           H        GLU  34  -2.079  -5.331   2.851
  200    HA   GLU  34           HA       GLU  34  -4.540  -6.052   1.306
  201    HB2  GLU  34           2HB      GLU  34  -2.360  -7.859   2.399
  202    HB3  GLU  34           1HB      GLU  34  -3.817  -8.412   1.575
  203    HG2  GLU  34           2HG      GLU  34  -2.624  -6.409  -0.061
  204    HG3  GLU  34           1HG      GLU  34  -1.351  -7.534   0.413
  205    H    GLN  35           H        GLN  35  -6.328  -6.580   2.528
  206    HA   GLN  35           HA       GLN  35  -7.640  -6.933   4.448
  207    HB2  GLN  35           2HB      GLN  35  -5.637  -8.787   4.566
  208    HB3  GLN  35           1HB      GLN  35  -5.363  -7.909   6.071
  209    HG2  GLN  35           2HG      GLN  35  -7.438  -8.489   6.948
  210    HG3  GLN  35           1HG      GLN  35  -8.156  -8.736   5.355
  211   HE21  GLN  35          1HE2      GLN  35  -8.851 -10.935   5.842
  212   HE22  GLN  35          2HE2      GLN  35  -7.735 -12.202   6.013
  213    H    CYS  36           H        CYS  36  -5.997  -4.464   4.035
  214    HA   CYS  36           HA       CYS  36  -5.541  -2.488   5.211
  215    HB2  CYS  36           2HB      CYS  36  -7.398  -3.945   7.072
  216    HB3  CYS  36           1HB      CYS  36  -6.581  -2.489   7.617
  217    H    LYS  37           H        LYS  37  -3.495  -4.341   5.181
  218    HA   LYS  37           HA       LYS  37  -2.185  -3.751   7.760
  219    HB2  LYS  37           2HB      LYS  37  -3.258  -6.324   7.149
  220    HB3  LYS  37           1HB      LYS  37  -1.500  -6.443   7.080
  221    HG2  LYS  37           2HG      LYS  37  -1.249  -5.656   9.305
  222    HG3  LYS  37           1HG      LYS  37  -2.912  -5.071   9.368
  223    HD2  LYS  37           2HD      LYS  37  -3.800  -7.206   9.629
  224    HD3  LYS  37           1HD      LYS  37  -2.412  -7.986   8.870
  225    HE2  LYS  37           2HE      LYS  37  -1.047  -7.174  10.880
  226    HE3  LYS  37           1HE      LYS  37  -2.593  -6.806  11.647
  227    HZ1  LYS  37           3HZ      LYS  37  -3.199  -9.190  11.047
  228    HZ2  LYS  37           1HZ      LYS  37  -2.108  -8.962  12.326
  229    HZ3  LYS  37           2HZ      LYS  37  -1.536  -9.430  10.797
  230    H    PHE  38           H        PHE  38   0.191  -4.467   7.603
  231    HA   PHE  38           HA       PHE  38   1.265  -3.444   5.087
  232    HB2  PHE  38           2HB      PHE  38   2.353  -4.271   7.742
  233    HB3  PHE  38           1HB      PHE  38   3.461  -4.233   6.376
  234    HD1  PHE  38           1HD      PHE  38   3.044  -2.038   4.800
  235    HD2  PHE  38           2HD      PHE  38   2.255  -2.333   9.013
  236    HE1  PHE  38           1HE      PHE  38   3.219   0.428   5.006
  237    HE2  PHE  38           2HE      PHE  38   2.429   0.132   9.218
  238    HZ   PHE  38           HZ       PHE  38   2.909   1.513   7.214
  239    H    SER  39           H        SER  39   1.476  -4.787   3.342
  240    HA   SER  39           HA       SER  39   1.293  -7.630   3.471
  241    HB2  SER  39           2HB      SER  39   2.126  -5.640   1.416
  242    HB3  SER  39           1HB      SER  39   2.647  -7.303   1.170
  243    HG   SER  39           HG       SER  39   0.639  -7.086   0.251
  244    H    ARG  40           H        ARG  40   3.134  -9.152   2.916
  245    HA   ARG  40           HA       ARG  40   5.378  -8.593   4.682
  246    HB2  ARG  40           2HB      ARG  40   4.566 -10.890   2.916
  247    HB3  ARG  40           1HB      ARG  40   6.209 -10.826   3.555
  248    HG2  ARG  40           2HG      ARG  40   5.520 -11.429   5.615
  249    HG3  ARG  40           1HG      ARG  40   4.237 -10.219   5.609
  250    HD2  ARG  40           2HD      ARG  40   3.146 -11.942   3.881
  251    HD3  ARG  40           1HD      ARG  40   4.147 -13.082   4.780
  252    HE   ARG  40           HE       ARG  40   2.784 -11.520   6.693
  253   HH11  ARG  40          1HH1      ARG  40   0.532 -11.657   4.760
  254   HH12  ARG  40          2HH1      ARG  40  -0.239 -13.148   5.185
  255   HH21  ARG  40          1HH2      ARG  40   2.475 -14.343   6.983
  256   HH22  ARG  40          2HH2      ARG  40   0.863 -14.670   6.443
  257    H    ALA  41           H        ALA  41   7.673  -8.760   3.894
  258    HA   ALA  41           HA       ALA  41   8.110  -6.958   1.673
  259    HB1  ALA  41           1HB      ALA  41   9.665  -8.097   3.794
  260    HB2  ALA  41           2HB      ALA  41  10.095  -6.760   2.727
  261    HB3  ALA  41           3HB      ALA  41  10.496  -8.415   2.272
  262    H    GLY  42           H        GLY  42   9.565  -7.616  -0.206
  263    HA2  GLY  42           2HA      GLY  42   9.990  -9.038  -2.039
  264    HA3  GLY  42           1HA      GLY  42   9.625 -10.406  -0.984
  265    H    LYS  43           H        LYS  43   7.298  -7.860  -1.096
  266    HA   LYS  43           HA       LYS  43   5.378  -9.713  -2.383
  267    HB2  LYS  43           2HB      LYS  43   4.502  -8.630  -0.450
  268    HB3  LYS  43           1HB      LYS  43   5.095  -7.058  -0.971
  269    HG2  LYS  43           2HG      LYS  43   2.793  -6.973  -1.481
  270    HG3  LYS  43           1HG      LYS  43   3.532  -7.379  -3.022
  271    HD2  LYS  43           2HD      LYS  43   2.524  -9.400  -3.084
  272    HD3  LYS  43           1HD      LYS  43   2.981  -9.754  -1.417
  273    HE2  LYS  43           2HE      LYS  43   1.044  -8.811  -0.541
  274    HE3  LYS  43           1HE      LYS  43   0.808  -7.752  -1.932
  275    HZ1  LYS  43           3HZ      LYS  43   0.590 -10.699  -2.125
  276    HZ2  LYS  43           1HZ      LYS  43   0.053  -9.535  -3.236
  277    HZ3  LYS  43           2HZ      LYS  43  -0.740  -9.712  -1.743
  278    H    ILE  44           H        ILE  44   5.079  -9.637  -4.543
  279    HA   ILE  44           HA       ILE  44   6.188  -7.545  -6.175
  280    HB   ILE  44           HB       ILE  44   4.754 -10.073  -6.578
  281   HG12  ILE  44          2HG1      ILE  44   7.123  -9.781  -7.054
  282   HG13  ILE  44          1HG1      ILE  44   6.272 -10.103  -8.566
  283   HG21  ILE  44          1HG2      ILE  44   3.036  -8.923  -7.713
  284   HG22  ILE  44          2HG2      ILE  44   4.167  -9.336  -9.002
  285   HG23  ILE  44          3HG2      ILE  44   4.143  -7.702  -8.339
  286   HD11  ILE  44          3HD1      ILE  44   7.402  -8.250  -9.281
  287   HD12  ILE  44          1HD1      ILE  44   7.614  -7.625  -7.645
  288   HD13  ILE  44          2HD1      ILE  44   6.079  -7.399  -8.482
  289    H    CYS  45           H        CYS  45   5.363  -5.530  -5.769
  290    HA   CYS  45           HA       CYS  45   2.443  -5.116  -5.557
  291    HB2  CYS  45           2HB      CYS  45   3.123  -2.720  -5.261
  292    HB3  CYS  45           1HB      CYS  45   3.840  -3.804  -4.073
  293    H    ARG  46           H        ARG  46   5.065  -4.761  -7.808
  294    HA   ARG  46           HA       ARG  46   3.108  -4.036  -9.924
  295    HB2  ARG  46           2HB      ARG  46   5.339  -2.358  -8.939
  296    HB3  ARG  46           1HB      ARG  46   5.264  -2.542 -10.692
  297    HG2  ARG  46           2HG      ARG  46   3.070  -1.645 -10.804
  298    HG3  ARG  46           1HG      ARG  46   2.817  -1.838  -9.069
  299    HD2  ARG  46           2HD      ARG  46   4.446  -0.104  -8.584
  300    HD3  ARG  46           1HD      ARG  46   4.875   0.020 -10.290
  301    HE   ARG  46           HE       ARG  46   2.095   0.647  -9.401
  302   HH11  ARG  46          1HH1      ARG  46   3.920   2.931  -8.964
  303   HH12  ARG  46          2HH1      ARG  46   3.859   3.769 -10.479
  304   HH21  ARG  46          1HH2      ARG  46   2.507   1.089 -12.211
  305   HH22  ARG  46          2HH2      ARG  46   3.058   2.727 -12.315
  306    H    ILE  47           H        ILE  47   3.367  -6.126 -10.788
  307    HA   ILE  47           HA       ILE  47   5.900  -7.398 -11.194
  308    HB   ILE  47           HB       ILE  47   3.593  -8.483 -11.228
  309   HG12  ILE  47          2HG1      ILE  47   4.382  -9.843 -13.439
  310   HG13  ILE  47          1HG1      ILE  47   5.875  -8.983 -13.056
  311   HG21  ILE  47          1HG2      ILE  47   2.271  -8.385 -13.177
  312   HG22  ILE  47          2HG2      ILE  47   3.589  -7.729 -14.146
  313   HG23  ILE  47          3HG2      ILE  47   2.787  -6.714 -12.948
  314   HD11  ILE  47          3HD1      ILE  47   4.286 -10.717 -11.142
  315   HD12  ILE  47          1HD1      ILE  47   5.752  -9.827 -10.730
  316   HD13  ILE  47          2HD1      ILE  47   5.821 -11.149 -11.894
  317    H    ALA  48           H        ALA  48   7.475  -6.617 -12.496
  318    HA   ALA  48           HA       ALA  48   6.764  -4.913 -14.804
  319    HB1  ALA  48           1HB      ALA  48   8.714  -4.500 -13.128
  320    HB2  ALA  48           2HB      ALA  48   9.026  -4.262 -14.847
  321    HB3  ALA  48           3HB      ALA  48   9.562  -5.742 -14.050
  322    H    ARG  49           H        ARG  49   6.823  -5.645 -16.897
  323    HA   ARG  49           HA       ARG  49   7.890  -8.408 -17.326
  324    HB2  ARG  49           2HB      ARG  49   5.763  -7.085 -19.016
  325    HB3  ARG  49           1HB      ARG  49   6.168  -8.798 -18.917
  326    HG2  ARG  49           2HG      ARG  49   5.299  -7.408 -16.413
  327    HG3  ARG  49           1HG      ARG  49   4.071  -7.816 -17.611
  328    HD2  ARG  49           2HD      ARG  49   6.017  -9.730 -16.293
  329    HD3  ARG  49           1HD      ARG  49   4.272  -9.663 -16.043
  330    HE   ARG  49           HE       ARG  49   4.695 -10.049 -18.812
  331   HH11  ARG  49          1HH1      ARG  49   3.694 -11.715 -16.172
  332   HH12  ARG  49          2HH1      ARG  49   4.289 -13.267 -16.658
  333   HH21  ARG  49          1HH2      ARG  49   6.157 -12.016 -19.299
  334   HH22  ARG  49          2HH2      ARG  49   5.684 -13.438 -18.430
  335    H    GLY  50           H        GLY  50   9.494  -8.592 -18.827
  336    HA2  GLY  50           2HA      GLY  50  10.017  -7.658 -21.237
  337    HA3  GLY  50           1HA      GLY  50  10.221  -6.147 -20.356
  338    H    ASP  51           H        ASP  51  12.088  -5.844 -19.148
  339    HA   ASP  51           HA       ASP  51  13.916  -8.085 -18.632
  340    HB2  ASP  51           2HB      ASP  51  14.214  -6.419 -20.983
  341    HB3  ASP  51           1HB      ASP  51  15.596  -6.212 -19.906
  342    H    TRP  52           H        TRP  52  12.580  -6.335 -16.880
  343    HA   TRP  52           HA       TRP  52  14.899  -4.822 -15.762
  344    HB2  TRP  52           2HB      TRP  52  12.848  -3.338 -14.829
  345    HB3  TRP  52           1HB      TRP  52  13.679  -2.967 -16.338
  346    HD1  TRP  52           HD       TRP  52  10.880  -5.508 -15.442
  347    HE1  TRP  52           1HE      TRP  52   8.996  -5.255 -17.181
  348    HE3  TRP  52           3HE      TRP  52  12.797  -1.718 -18.278
  349    HZ2  TRP  52           2HZ      TRP  52   8.381  -3.658 -19.472
  350    HZ3  TRP  52           3HZ      TRP  52  11.541  -0.850 -20.230
  351    HH2  TRP  52           HH       TRP  52   9.337  -1.814 -20.831
  352    H    ASN  53           H        ASN  53  14.362  -4.261 -13.345
  353    HA   ASN  53           HA       ASN  53  13.584  -6.801 -12.067
  354    HB2  ASN  53           2HB      ASN  53  14.645  -4.204 -10.907
  355    HB3  ASN  53           1HB      ASN  53  14.358  -5.678  -9.981
  356   HD21  ASN  53          1HD2      ASN  53  16.917  -4.088 -11.026
  357   HD22  ASN  53          2HD2      ASN  53  17.911  -5.348 -11.578
  358    H    ASP  54           H        ASP  54  11.682  -7.106 -10.954
  359    HA   ASP  54           HA       ASP  54   9.543  -5.186 -11.309
  360    HB2  ASP  54           2HB      ASP  54   9.569  -7.558  -9.425
  361    HB3  ASP  54           1HB      ASP  54   8.162  -6.779 -10.151
  362    H    ASP  55           H        ASP  55   8.167  -4.989  -9.000
  363    HA   ASP  55           HA       ASP  55  10.092  -3.679  -7.117
  364    HB2  ASP  55           2HB      ASP  55   8.596  -2.106  -8.404
  365    HB3  ASP  55           1HB      ASP  55   7.214  -2.871  -7.620
  366    H    ARG  56           H        ARG  56  10.197  -4.848  -5.269
  367    HA   ARG  56           HA       ARG  56   7.814  -6.428  -4.430
  368    HB2  ARG  56           2HB      ARG  56  10.606  -6.557  -3.279
  369    HB3  ARG  56           1HB      ARG  56   9.312  -7.743  -3.119
  370    HG2  ARG  56           2HG      ARG  56   9.767  -7.278  -5.907
  371    HG3  ARG  56           1HG      ARG  56  11.316  -7.615  -5.136
  372    HD2  ARG  56           2HD      ARG  56   9.852  -9.517  -3.940
  373    HD3  ARG  56           1HD      ARG  56   8.926  -9.369  -5.432
  374    HE   ARG  56           HE       ARG  56  11.785 -10.195  -5.260
  375   HH11  ARG  56          1HH2      ARG  56  10.503  -8.627  -7.699
  376   HH12  ARG  56          2HH2      ARG  56  10.298  -9.952  -8.795
  377   HH21  ARG  56          1HH1      ARG  56  10.822 -12.379  -6.374
  378   HH22  ARG  56          2HH1      ARG  56  10.481 -12.077  -8.045
  379    H    CYS  57           H        CYS  57   6.683  -5.862  -2.615
  380    HA   CYS  57           HA       CYS  57   7.104  -3.335  -1.348
  381    HB2  CYS  57           2HB      CYS  57   5.710  -5.660  -0.014
  382    HB3  CYS  57           1HB      CYS  57   5.366  -3.942   0.152
  383    H    THR  58           H        THR  58   8.030  -2.854   0.696
  384    HA   THR  58           HA       THR  58  10.246  -4.617   1.440
  385    HB   THR  58           HB       THR  58  11.013  -2.800   2.790
  386    HG1  THR  58           1HG      THR  58   9.572  -1.748   3.863
  387   HG21  THR  58          3HG2      THR  58  11.263  -2.361   0.418
  388   HG22  THR  58          1HG2      THR  58  10.815  -0.855   1.218
  389   HG23  THR  58          2HG2      THR  58   9.605  -1.767   0.315
  390    H    GLY  59           H        GLY  59   7.167  -5.008   2.094
  391    HA2  GLY  59           2HA      GLY  59   6.250  -6.420   3.780
  392    HA3  GLY  59           1HA      GLY  59   7.725  -6.219   4.719
  393    H    GLN  60           H        GLN  60   7.764  -3.344   4.692
  394    HA   GLN  60           HA       GLN  60   5.386  -2.812   6.425
  395    HB2  GLN  60           2HB      GLN  60   8.104  -1.463   6.487
  396    HB3  GLN  60           1HB      GLN  60   6.780  -1.209   7.626
  397    HG2  GLN  60           2HG      GLN  60   7.349  -4.028   7.414
  398    HG3  GLN  60           1HG      GLN  60   8.830  -3.148   7.795
  399   HE21  GLN  60          1HE2      GLN  60   9.099  -3.153  10.032
  400   HE22  GLN  60          2HE2      GLN  60   7.860  -2.892  11.163
  401    H    SER  61           H        SER  61   6.130  -2.372   3.390
  402    HA   SER  61           HA       SER  61   5.443   0.538   3.326
  403    HB2  SER  61           2HB      SER  61   7.443   0.211   2.092
  404    HB3  SER  61           1HB      SER  61   6.845  -1.275   1.361
  405    HG   SER  61           HG       SER  61   6.623   0.328  -0.148
  406    H    ALA  62           H        ALA  62   3.358   0.985   2.821
  407    HA   ALA  62           HA       ALA  62   1.641  -1.133   1.703
  408    HB1  ALA  62           1HB      ALA  62  -0.046  -0.001   2.699
  409    HB2  ALA  62           2HB      ALA  62   0.436   1.520   1.949
  410    HB3  ALA  62           3HB      ALA  62   1.205   0.993   3.446
  411    H    ASP  63           H        ASP  63   3.062   1.944   0.719
  412    HA   ASP  63           HA       ASP  63   1.639   1.909  -1.860
  413    HB2  ASP  63           2HB      ASP  63   3.924   3.698  -0.974
  414    HB3  ASP  63           1HB      ASP  63   2.802   3.988  -2.304
  415    H    CYS  64           H        CYS  64   2.896   1.875  -3.916
  416    HA   CYS  64           HA       CYS  64   5.413   0.290  -3.633
  417    HB2  CYS  64           2HB      CYS  64   3.708  -1.224  -4.392
  418    HB3  CYS  64           1HB      CYS  64   3.149  -0.083  -5.610
  419    HA   PRO  65           HA       PRO  65   6.918   3.659  -6.071
  420    HB2  PRO  65           2HB      PRO  65   9.533   2.897  -5.797
  421    HB3  PRO  65           1HB      PRO  65   8.657   3.804  -4.563
  422    HG2  PRO  65           2HG      PRO  65   9.499   0.955  -4.582
  423    HG3  PRO  65           1HG      PRO  65   9.124   2.004  -3.204
  424    HD2  PRO  65           2HD      PRO  65   7.431   0.018  -4.329
  425    HD3  PRO  65           1HD      PRO  65   6.980   1.229  -3.111
  426    H    ARG  66           H        ARG  66   8.967   3.509  -7.807
  427    HA   ARG  66           HA       ARG  66   8.774   1.005  -9.372
  428    HB2  ARG  66           2HB      ARG  66   8.168   2.196 -11.436
  429    HB3  ARG  66           1HB      ARG  66   6.922   2.426 -10.209
  430    HG2  ARG  66           2HG      ARG  66   8.837   4.482  -9.819
  431    HG3  ARG  66           1HG      ARG  66   8.499   4.422 -11.549
  432    HD2  ARG  66           2HD      ARG  66   5.996   4.118 -10.331
  433    HD3  ARG  66           1HD      ARG  66   6.806   5.363  -9.381
  434    HE   ARG  66           HE       ARG  66   7.287   6.195 -11.944
  435   HH11  ARG  66          1HH2      ARG  66   5.370   7.742 -10.347
  436   HH12  ARG  66          2HH2      ARG  66   3.888   7.569 -11.226
  437   HH21  ARG  66          1HH1      ARG  66   4.985   4.839 -13.061
  438   HH22  ARG  66          2HH1      ARG  66   3.670   5.926 -12.762
  439    H    TYR  67           H        TYR  67  10.431   0.954 -11.113
  440    HA   TYR  67           HA       TYR  67  12.585   2.986 -10.794
  441    HB2  TYR  67           2HB      TYR  67  13.368   0.103 -11.005
  442    HB3  TYR  67           1HB      TYR  67  14.237   1.447 -10.260
  443    HD1  TYR  67           1HD      TYR  67  13.524   2.324  -8.036
  444    HD2  TYR  67           2HD      TYR  67  11.758  -1.185  -9.773
  445    HE1  TYR  67           1HE      TYR  67  12.588   1.700  -5.825
  446    HE2  TYR  67           2HE      TYR  67  10.823  -1.809  -7.563
  447    HH   TYR  67           HH       TYR  67  10.630  -1.259  -5.428
  448    H    HIS  68           H        HIS  68  11.176   3.305 -12.941
  449    HA   HIS  68           HA       HIS  68  12.906   2.522 -15.128
  450    HB2  HIS  68           2HB      HIS  68  11.612   0.417 -14.837
  451    HB3  HIS  68           1HB      HIS  68  10.118   1.324 -15.069
  452    HD1  HIS  68           1HD      HIS  68   9.342   1.569 -17.431
  453    HD2  HIS  68           2HD      HIS  68  13.405   0.653 -17.233
  454    HE1  HIS  68           1HE      HIS  68  10.122   1.253 -19.820
  Start of MODEL    4
    1    H    GLY   1           1HT      GLY   1   4.662  15.741   6.857
    2    HA2  GLY   1           1HA      GLY   1   3.489  14.990   8.665
    3    HA3  GLY   1           2HA      GLY   1   2.544  16.477   8.760
    4    H    LYS   2           H        LYS   2   1.922  13.443   8.321
    5    HA   LYS   2           HA       LYS   2   0.125  13.863   5.964
    6    HB2  LYS   2           2HB      LYS   2   1.313  11.269   7.000
    7    HB3  LYS   2           1HB      LYS   2   0.236  11.423   5.612
    8    HG2  LYS   2           2HG      LYS   2   1.847  12.609   4.348
    9    HG3  LYS   2           1HG      LYS   2   2.823  12.969   5.773
   10    HD2  LYS   2           2HD      LYS   2   2.479  10.109   5.485
   11    HD3  LYS   2           1HD      LYS   2   3.149  10.800   4.007
   12    HE2  LYS   2           2HE      LYS   2   4.932  11.885   5.277
   13    HE3  LYS   2           1HE      LYS   2   4.237  11.307   6.792
   14    HZ1  LYS   2           3HZ      LYS   2   4.977   9.219   6.446
   15    HZ2  LYS   2           1HZ      LYS   2   6.142  10.010   5.498
   16    HZ3  LYS   2           2HZ      LYS   2   4.788   9.298   4.758
   17    H    GLU   3           H        GLU   3  -1.929  14.147   6.671
   18    HA   GLU   3           HA       GLU   3  -2.818  12.578   9.061
   19    HB2  GLU   3           2HB      GLU   3  -4.422  14.392   9.498
   20    HB3  GLU   3           1HB      GLU   3  -2.779  15.032   9.442
   21    HG2  GLU   3           2HG      GLU   3  -3.293  15.413   6.902
   22    HG3  GLU   3           1HG      GLU   3  -4.978  15.298   7.411
   23    H    CYS   4           H        CYS   4  -2.900  12.191   5.957
   24    HA   CYS   4           HA       CYS   4  -5.780  11.407   5.917
   25    HB2  CYS   4           2HB      CYS   4  -4.294  13.141   4.044
   26    HB3  CYS   4           1HB      CYS   4  -5.228  11.862   3.268
   27    H    ASP   5           H        ASP   5  -4.965   9.265   6.514
   28    HA   ASP   5           HA       ASP   5  -3.031   7.878   4.877
   29    HB2  ASP   5           2HB      ASP   5  -4.734   7.274   7.179
   30    HB3  ASP   5           1HB      ASP   5  -4.598   5.914   6.065
   31    H    CYS   6           H        CYS   6  -6.241   8.771   4.311
   32    HA   CYS   6           HA       CYS   6  -6.331   6.962   1.964
   33    HB2  CYS   6           2HB      CYS   6  -8.415   7.086   4.147
   34    HB3  CYS   6           1HB      CYS   6  -8.801   6.529   2.519
   35    H    SER   7           H        SER   7  -7.906   7.727   0.344
   36    HA   SER   7           HA       SER   7  -8.556  10.626   0.710
   37    HB2  SER   7           2HB      SER   7  -8.500  10.077  -2.044
   38    HB3  SER   7           1HB      SER   7  -7.293  10.971  -1.123
   39    HG   SER   7           HG       SER   7  -6.004   9.319  -1.275
   40    H    SER   8           H        SER   8 -10.055   7.848   0.945
   41    HA   SER   8           HA       SER   8 -12.398   8.697  -0.706
   42    HB2  SER   8           2HB      SER   8 -11.079   6.297  -0.857
   43    HB3  SER   8           1HB      SER   8 -12.365   5.922   0.286
   44    HG   SER   8           HG       SER   8 -13.808   6.188  -1.246
   45    HA   PRO   9           HA       PRO   9 -14.222   9.226   3.324
   46    HB2  PRO   9           2HB      PRO   9 -16.670  10.068   2.401
   47    HB3  PRO   9           1HB      PRO   9 -15.242  11.115   2.483
   48    HG2  PRO   9           2HG      PRO   9 -16.506   9.845   0.096
   49    HG3  PRO   9           1HG      PRO   9 -15.552  11.334   0.202
   50    HD2  PRO   9           2HD      PRO   9 -14.610   8.835  -0.723
   51    HD3  PRO   9           1HD      PRO   9 -13.601  10.227  -0.277
   52    H    GLU  10           H        GLU  10 -15.447   7.211   0.745
   53    HA   GLU  10           HA       GLU  10 -17.444   5.919   2.492
   54    HB2  GLU  10           2HB      GLU  10 -16.621   5.535  -0.392
   55    HB3  GLU  10           1HB      GLU  10 -17.747   4.444   0.416
   56    HG2  GLU  10           2HG      GLU  10 -19.269   6.283   0.890
   57    HG3  GLU  10           1HG      GLU  10 -18.115   7.449   0.240
   58    H    ASN  11           H        ASN  11 -14.298   5.777   2.661
   59    HA   ASN  11           HA       ASN  11 -13.908   2.862   2.436
   60    HB2  ASN  11           2HB      ASN  11 -12.108   4.506   1.808
   61    HB3  ASN  11           1HB      ASN  11 -11.995   4.953   3.511
   62   HD21  ASN  11          1HD2      ASN  11  -9.868   3.649   1.913
   63   HD22  ASN  11          2HD2      ASN  11  -9.556   2.156   2.659
   64    HA   PRO  12           HA       PRO  12 -15.151   2.472   6.709
   65    HB2  PRO  12           2HB      PRO  12 -14.945  -0.269   6.779
   66    HB3  PRO  12           1HB      PRO  12 -16.325   0.591   6.076
   67    HG2  PRO  12           2HG      PRO  12 -14.099  -0.830   4.694
   68    HG3  PRO  12           1HG      PRO  12 -15.751  -0.516   4.133
   69    HD2  PRO  12           2HD      PRO  12 -13.430   0.911   3.354
   70    HD3  PRO  12           1HD      PRO  12 -15.112   1.403   3.058
   71    H    CYS  13           H        CYS  13 -12.205   1.211   5.273
   72    HA   CYS  13           HA       CYS  13 -10.985   0.525   7.846
   73    HB2  CYS  13           2HB      CYS  13 -10.322   0.256   5.002
   74    HB3  CYS  13           1HB      CYS  13  -8.930   0.695   5.991
   75    H    CYS  14           H        CYS  14 -11.561   3.413   6.206
   76    HA   CYS  14           HA       CYS  14  -9.382   4.728   7.768
   77    HB2  CYS  14           2HB      CYS  14 -10.079   5.022   4.870
   78    HB3  CYS  14           1HB      CYS  14  -9.490   6.435   5.747
   79    H    ASP  15           H        ASP  15 -10.254   6.128   9.187
   80    HA   ASP  15           HA       ASP  15 -13.011   6.835   9.267
   81    HB2  ASP  15           2HB      ASP  15 -11.129   6.989  11.099
   82    HB3  ASP  15           1HB      ASP  15 -10.899   8.613  10.452
   83    H    ALA  16           H        ALA  16 -14.118   8.311   8.077
   84    HA   ALA  16           HA       ALA  16 -12.797   9.907   6.062
   85    HB1  ALA  16           1HB      ALA  16 -15.634  10.040   7.131
   86    HB2  ALA  16           2HB      ALA  16 -15.094   9.086   5.751
   87    HB3  ALA  16           3HB      ALA  16 -15.062  10.848   5.672
   88    H    ALA  17           H        ALA  17 -14.375  10.690   9.168
   89    HA   ALA  17           HA       ALA  17 -14.054  13.492   9.097
   90    HB1  ALA  17           1HB      ALA  17 -15.311  12.698  10.915
   91    HB2  ALA  17           2HB      ALA  17 -13.798  13.183  11.682
   92    HB3  ALA  17           3HB      ALA  17 -14.106  11.480  11.339
   93    H    THR  18           H        THR  18 -11.822  11.081  10.529
   94    HA   THR  18           HA       THR  18  -9.716  13.098  10.799
   95    HB   THR  18           HB       THR  18  -8.512  11.458  11.945
   96    HG1  THR  18           1HG      THR  18  -8.228   9.848  10.577
   97   HG21  THR  18          3HG2      THR  18 -11.028  11.798  12.713
   98   HG22  THR  18          1HG2      THR  18 -10.000  10.598  13.496
   99   HG23  THR  18          2HG2      THR  18 -11.157  10.098  12.262
  100    H    CYS  19           H        CYS  19 -10.809  10.937   8.364
  101    HA   CYS  19           HA       CYS  19 -10.004  10.529   6.199
  102    HB2  CYS  19           2HB      CYS  19  -9.614  12.978   6.173
  103    HB3  CYS  19           1HB      CYS  19  -8.028  12.723   6.897
  104    H    LYS  20           H        LYS  20  -8.769   9.333   8.757
  105    HA   LYS  20           HA       LYS  20  -6.365   8.215   7.372
  106    HB2  LYS  20           2HB      LYS  20  -6.588   9.027  10.284
  107    HB3  LYS  20           1HB      LYS  20  -5.253   8.087   9.619
  108    HG2  LYS  20           2HG      LYS  20  -5.589  10.322   7.912
  109    HG3  LYS  20           1HG      LYS  20  -5.650  10.941   9.562
  110    HD2  LYS  20           2HD      LYS  20  -3.539   8.928   8.929
  111    HD3  LYS  20           1HD      LYS  20  -3.325  10.560   8.294
  112    HE2  LYS  20           2HE      LYS  20  -2.583  11.198  10.321
  113    HE3  LYS  20           1HE      LYS  20  -4.192  10.870  10.966
  114    HZ1  LYS  20           3HZ      LYS  20  -3.133   9.351  12.194
  115    HZ2  LYS  20           1HZ      LYS  20  -1.767   9.323  11.190
  116    HZ3  LYS  20           2HZ      LYS  20  -3.138   8.404  10.784
  117    H    LEU  21           H        LEU  21  -5.676   6.217   9.079
  118    HA   LEU  21           HA       LEU  21  -7.781   4.285   8.688
  119    HB2  LEU  21           2HB      LEU  21  -5.125   4.258  10.110
  120    HB3  LEU  21           1HB      LEU  21  -6.231   2.891  10.258
  121    HG   LEU  21           HG       LEU  21  -5.966   3.782   7.493
  122   HD11  LEU  21          1HD1      LEU  21  -3.615   4.070   8.872
  123   HD12  LEU  21          2HD1      LEU  21  -3.717   3.683   7.154
  124   HD13  LEU  21          3HD1      LEU  21  -3.502   2.393   8.337
  125   HD21  LEU  21          3HD2      LEU  21  -6.539   1.457   8.935
  126   HD22  LEU  21          1HD2      LEU  21  -4.982   1.122   8.179
  127   HD23  LEU  21          2HD2      LEU  21  -6.365   1.577   7.184
  128    H    ARG  22           H        ARG  22  -9.449   3.763  10.042
  129    HA   ARG  22           HA       ARG  22  -9.669   5.232  12.583
  130    HB2  ARG  22           2HB      ARG  22 -11.537   4.639  10.751
  131    HB3  ARG  22           1HB      ARG  22 -11.734   3.237  11.802
  132    HG2  ARG  22           2HG      ARG  22 -11.591   6.009  12.968
  133    HG3  ARG  22           1HG      ARG  22 -13.114   5.375  12.340
  134    HD2  ARG  22           2HD      ARG  22 -12.195   3.267  13.853
  135    HD3  ARG  22           1HD      ARG  22 -11.655   4.657  14.794
  136    HE   ARG  22           HE       ARG  22 -13.980   5.345  15.017
  137   HH11  ARG  22          1HH1      ARG  22 -13.719   2.219  15.431
  138   HH12  ARG  22          2HH1      ARG  22 -15.212   1.723  14.709
  139   HH21  ARG  22          1HH2      ARG  22 -15.797   4.782  13.184
  140   HH22  ARG  22          2HH2      ARG  22 -16.390   3.175  13.437
  141    HA   PRO  23           HA       PRO  23  -9.743   0.762  14.238
  142    HB2  PRO  23           2HB      PRO  23  -9.140  -1.267  12.487
  143    HB3  PRO  23           1HB      PRO  23 -10.786  -0.665  12.755
  144    HG2  PRO  23           2HG      PRO  23  -8.994  -0.238  10.418
  145    HG3  PRO  23           1HG      PRO  23 -10.761  -0.173  10.502
  146    HD2  PRO  23           2HD      PRO  23  -8.983   2.049  10.456
  147    HD3  PRO  23           1HD      PRO  23 -10.730   2.101  10.770
  148    H    GLY  24           H        GLY  24  -7.918  -1.350  13.952
  149    HA2  GLY  24           2HA      GLY  24  -5.366   0.071  14.380
  150    HA3  GLY  24           1HA      GLY  24  -5.679  -1.627  14.745
  151    H    ALA  25           H        ALA  25  -6.746  -0.517  11.669
  152    HA   ALA  25           HA       ALA  25  -5.068  -2.374  10.257
  153    HB1  ALA  25           1HB      ALA  25  -7.145  -0.393   9.596
  154    HB2  ALA  25           2HB      ALA  25  -6.853  -1.989   8.906
  155    HB3  ALA  25           3HB      ALA  25  -5.927  -0.600   8.337
  156    H    GLN  26           H        GLN  26  -3.165  -2.011   9.110
  157    HA   GLN  26           HA       GLN  26  -1.635   0.372   9.865
  158    HB2  GLN  26           2HB      GLN  26  -1.084  -2.263   8.648
  159    HB3  GLN  26           1HB      GLN  26  -0.078  -0.945   8.042
  160    HG2  GLN  26           2HG      GLN  26   1.092  -1.763   9.935
  161    HG3  GLN  26           1HG      GLN  26   0.268  -0.311  10.502
  162   HE21  GLN  26          1HE2      GLN  26   0.594  -3.713  11.010
  163   HE22  GLN  26          2HE2      GLN  26  -0.649  -3.880  12.155
  164    H    CYS  27           H        CYS  27  -3.555  -0.683   7.211
  165    HA   CYS  27           HA       CYS  27  -3.108   1.879   5.852
  166    HB2  CYS  27           2HB      CYS  27  -1.435   0.950   4.587
  167    HB3  CYS  27           1HB      CYS  27  -1.969  -0.695   4.899
  168    H    GLY  28           H        GLY  28  -4.979   2.515   4.837
  169    HA2  GLY  28           2HA      GLY  28  -7.287   0.680   4.981
  170    HA3  GLY  28           1HA      GLY  28  -7.360   2.398   4.607
  171    H    GLU  29           H        GLU  29  -5.149   2.145   2.675
  172    HA   GLU  29           HA       GLU  29  -6.277   0.382   0.597
  173    HB2  GLU  29           2HB      GLU  29  -6.576   2.185  -0.979
  174    HB3  GLU  29           1HB      GLU  29  -7.499   2.561   0.466
  175    HG2  GLU  29           2HG      GLU  29  -6.334   4.455   0.777
  176    HG3  GLU  29           1HG      GLU  29  -4.815   3.559   0.759
  177    H    GLY  30           H        GLY  30  -4.713  -0.164  -0.983
  178    HA2  GLY  30           2HA      GLY  30  -2.374   1.095  -1.711
  179    HA3  GLY  30           1HA      GLY  30  -1.941   0.313  -0.190
  180    H    LEU  31           H        LEU  31  -0.531  -0.620  -2.235
  181    HA   LEU  31           HA       LEU  31  -1.897  -2.845  -3.582
  182    HB2  LEU  31           2HB      LEU  31   0.929  -1.785  -3.582
  183    HB3  LEU  31           1HB      LEU  31   0.529  -3.322  -4.347
  184    HG   LEU  31           HG       LEU  31  -1.450  -1.647  -5.295
  185   HD11  LEU  31          1HD1      LEU  31  -0.017   0.217  -4.222
  186   HD12  LEU  31          2HD1      LEU  31  -0.502   0.434  -5.903
  187   HD13  LEU  31          3HD1      LEU  31   1.133  -0.104  -5.520
  188   HD21  LEU  31          3HD2      LEU  31   0.977  -2.958  -6.275
  189   HD22  LEU  31          1HD2      LEU  31   0.558  -1.526  -7.214
  190   HD23  LEU  31          2HD2      LEU  31  -0.611  -2.833  -7.032
  191    H    CYS  32           H        CYS  32   0.707  -2.487  -1.167
  192    HA   CYS  32           HA       CYS  32   0.580  -5.389  -0.609
  193    HB2  CYS  32           2HB      CYS  32   2.302  -3.380   0.838
  194    HB3  CYS  32           1HB      CYS  32   2.596  -5.100   0.588
  195    H    CYS  33           H        CYS  33  -1.772  -3.943   0.049
  196    HA   CYS  33           HA       CYS  33  -1.622  -3.794   3.023
  197    HB2  CYS  33           2HB      CYS  33  -3.668  -2.676   1.090
  198    HB3  CYS  33           1HB      CYS  33  -3.783  -2.556   2.843
  199    H    GLU  34           H        GLU  34  -1.834  -6.032   3.452
  200    HA   GLU  34           HA       GLU  34  -4.161  -7.468   2.326
  201    HB2  GLU  34           2HB      GLU  34  -1.945  -8.609   2.517
  202    HB3  GLU  34           1HB      GLU  34  -2.033  -8.429   4.269
  203    HG2  GLU  34           2HG      GLU  34  -4.224  -9.683   4.205
  204    HG3  GLU  34           1HG      GLU  34  -3.914 -10.009   2.499
  205    H    GLN  35           H        GLN  35  -6.066  -7.154   3.366
  206    HA   GLN  35           HA       GLN  35  -7.599  -7.007   5.134
  207    HB2  GLN  35           2HB      GLN  35  -5.722  -8.790   6.035
  208    HB3  GLN  35           1HB      GLN  35  -5.625  -7.531   7.266
  209    HG2  GLN  35           2HG      GLN  35  -7.322  -8.948   8.078
  210    HG3  GLN  35           1HG      GLN  35  -8.219  -7.653   7.285
  211   HE21  GLN  35          1HE2      GLN  35  -6.808 -10.885   6.502
  212   HE22  GLN  35          2HE2      GLN  35  -8.051 -11.328   5.435
  213    H    CYS  36           H        CYS  36  -6.089  -4.734   4.215
  214    HA   CYS  36           HA       CYS  36  -5.730  -2.501   4.823
  215    HB2  CYS  36           2HB      CYS  36  -7.345  -3.462   7.195
  216    HB3  CYS  36           1HB      CYS  36  -6.787  -1.794   7.036
  217    H    LYS  37           H        LYS  37  -3.910  -4.791   5.662
  218    HA   LYS  37           HA       LYS  37  -2.407  -3.267   7.754
  219    HB2  LYS  37           2HB      LYS  37  -3.089  -6.163   7.556
  220    HB3  LYS  37           1HB      LYS  37  -1.472  -5.762   8.135
  221    HG2  LYS  37           2HG      LYS  37  -2.933  -3.997   9.582
  222    HG3  LYS  37           1HG      LYS  37  -4.109  -5.303   9.417
  223    HD2  LYS  37           2HD      LYS  37  -1.811  -6.689  10.011
  224    HD3  LYS  37           1HD      LYS  37  -1.603  -5.220  10.965
  225    HE2  LYS  37           2HE      LYS  37  -4.322  -6.357  11.074
  226    HE3  LYS  37           1HE      LYS  37  -3.074  -7.392  11.769
  227    HZ1  LYS  37           3HZ      LYS  37  -2.455  -4.898  12.676
  228    HZ2  LYS  37           1HZ      LYS  37  -3.237  -6.114  13.563
  229    HZ3  LYS  37           2HZ      LYS  37  -4.152  -4.933  12.753
  230    H    PHE  38           H        PHE  38   0.016  -3.865   7.644
  231    HA   PHE  38           HA       PHE  38   0.890  -3.541   4.877
  232    HB2  PHE  38           2HB      PHE  38   2.355  -3.785   7.512
  233    HB3  PHE  38           1HB      PHE  38   3.203  -3.674   5.970
  234    HD1  PHE  38           2HD      PHE  38   1.782  -1.793   4.380
  235    HD2  PHE  38           1HD      PHE  38   2.425  -1.733   8.627
  236    HE1  PHE  38           2HE      PHE  38   1.497   0.671   4.391
  237    HE2  PHE  38           1HE      PHE  38   2.139   0.730   8.635
  238    HZ   PHE  38           HZ       PHE  38   1.675   1.933   6.516
  239    H    SER  39           H        SER  39   1.229  -5.229   3.521
  240    HA   SER  39           HA       SER  39   1.089  -7.961   4.326
  241    HB2  SER  39           2HB      SER  39   2.606  -7.049   1.884
  242    HB3  SER  39           1HB      SER  39   1.627  -8.500   2.090
  243    HG   SER  39           HG       SER  39   0.666  -6.680   0.885
  244    H    ARG  40           H        ARG  40   3.346  -9.195   3.179
  245    HA   ARG  40           HA       ARG  40   5.387  -8.499   5.228
  246    HB2  ARG  40           2HB      ARG  40   4.739 -10.968   3.637
  247    HB3  ARG  40           1HB      ARG  40   6.361 -10.766   4.297
  248    HG2  ARG  40           2HG      ARG  40   3.764 -10.722   5.863
  249    HG3  ARG  40           1HG      ARG  40   4.986 -11.993   5.898
  250    HD2  ARG  40           2HD      ARG  40   5.209  -9.166   6.944
  251    HD3  ARG  40           1HD      ARG  40   5.421 -10.676   7.828
  252    HE   ARG  40           HE       ARG  40   7.333  -9.958   5.655
  253   HH11  ARG  40          1HH2      ARG  40   7.907  -8.552   8.222
  254   HH12  ARG  40          2HH2      ARG  40   8.955  -9.669   9.029
  255   HH21  ARG  40          1HH1      ARG  40   8.114 -12.343   6.988
  256   HH22  ARG  40          2HH1      ARG  40   9.073 -11.815   8.331
  257    H    ALA  41           H        ALA  41   7.700  -8.536   4.517
  258    HA   ALA  41           HA       ALA  41   8.060  -6.929   2.143
  259    HB1  ALA  41           1HB      ALA  41   9.535  -7.198   4.358
  260    HB2  ALA  41           2HB      ALA  41  10.259  -6.708   2.827
  261    HB3  ALA  41           3HB      ALA  41  10.371  -8.386   3.358
  262    H    GLY  42           H        GLY  42   9.552  -7.617   0.333
  263    HA2  GLY  42           2HA      GLY  42  10.230  -9.190  -1.301
  264    HA3  GLY  42           1HA      GLY  42   9.873 -10.472  -0.145
  265    H    LYS  43           H        LYS  43   7.480  -8.021  -0.854
  266    HA   LYS  43           HA       LYS  43   5.795 -10.160  -2.083
  267    HB2  LYS  43           2HB      LYS  43   4.651  -9.199  -0.258
  268    HB3  LYS  43           1HB      LYS  43   5.175  -7.571  -0.670
  269    HG2  LYS  43           2HG      LYS  43   2.908  -7.631  -1.349
  270    HG3  LYS  43           1HG      LYS  43   3.793  -7.884  -2.845
  271    HD2  LYS  43           2HD      LYS  43   3.284 -10.168  -2.918
  272    HD3  LYS  43           1HD      LYS  43   2.961 -10.247  -1.185
  273    HE2  LYS  43           2HE      LYS  43   1.081  -8.437  -1.949
  274    HE3  LYS  43           1HE      LYS  43   1.174  -9.431  -3.402
  275    HZ1  LYS  43           3HZ      LYS  43  -0.336 -10.602  -2.180
  276    HZ2  LYS  43           1HZ      LYS  43   0.349 -10.173  -0.689
  277    HZ3  LYS  43           2HZ      LYS  43   1.095 -11.354  -1.657
  278    H    ILE  44           H        ILE  44   5.708 -10.160  -4.260
  279    HA   ILE  44           HA       ILE  44   6.631  -8.015  -5.920
  280    HB   ILE  44           HB       ILE  44   6.535 -10.324  -6.735
  281   HG12  ILE  44          2HG1      ILE  44   5.258  -9.884  -8.883
  282   HG13  ILE  44          1HG1      ILE  44   4.713  -8.367  -8.165
  283   HG21  ILE  44          1HG2      ILE  44   4.733 -11.611  -6.345
  284   HG22  ILE  44          2HG2      ILE  44   3.719 -10.518  -7.287
  285   HG23  ILE  44          3HG2      ILE  44   3.953 -10.237  -5.562
  286   HD11  ILE  44          3HD1      ILE  44   7.030  -8.657  -9.606
  287   HD12  ILE  44          1HD1      ILE  44   7.614  -8.827  -7.951
  288   HD13  ILE  44          2HD1      ILE  44   6.738  -7.374  -8.431
  289    H    CYS  45           H        CYS  45   5.584  -6.076  -5.478
  290    HA   CYS  45           HA       CYS  45   2.630  -5.976  -5.444
  291    HB2  CYS  45           2HB      CYS  45   3.055  -3.507  -5.057
  292    HB3  CYS  45           1HB      CYS  45   3.702  -4.576  -3.818
  293    H    ARG  46           H        ARG  46   5.215  -5.537  -7.682
  294    HA   ARG  46           HA       ARG  46   3.271  -4.829  -9.770
  295    HB2  ARG  46           2HB      ARG  46   4.736  -2.784  -8.443
  296    HB3  ARG  46           1HB      ARG  46   5.423  -2.954 -10.058
  297    HG2  ARG  46           2HG      ARG  46   3.164  -2.766 -11.041
  298    HG3  ARG  46           1HG      ARG  46   2.478  -2.588  -9.426
  299    HD2  ARG  46           2HD      ARG  46   4.482  -0.684  -9.445
  300    HD3  ARG  46           1HD      ARG  46   3.858  -0.607 -11.092
  301    HE   ARG  46           HE       ARG  46   2.433   0.213  -8.684
  302   HH11  ARG  46          1HH1      ARG  46   2.133   1.670 -11.231
  303   HH12  ARG  46          2HH1      ARG  46   0.582   1.147 -11.799
  304   HH21  ARG  46          1HH2      ARG  46   0.451  -1.613  -9.701
  305   HH22  ARG  46          2HH2      ARG  46  -0.372  -0.713 -10.931
  306    H    ILE  47           H        ILE  47   4.206  -4.944 -11.920
  307    HA   ILE  47           HA       ILE  47   6.594  -6.727 -12.004
  308    HB   ILE  47           HB       ILE  47   4.394  -7.461 -13.043
  309   HG12  ILE  47          2HG1      ILE  47   6.307  -7.224 -15.306
  310   HG13  ILE  47          1HG1      ILE  47   6.937  -7.951 -13.826
  311   HG21  ILE  47          1HG2      ILE  47   4.791  -5.948 -15.483
  312   HG22  ILE  47          2HG2      ILE  47   4.512  -4.865 -14.120
  313   HG23  ILE  47          3HG2      ILE  47   3.332  -6.118 -14.506
  314   HD11  ILE  47          3HD1      ILE  47   4.994  -9.514 -13.812
  315   HD12  ILE  47          1HD1      ILE  47   6.003  -9.701 -15.246
  316   HD13  ILE  47          2HD1      ILE  47   4.472  -8.834 -15.353
  317    H    ALA  48           H        ALA  48   7.894  -6.339 -14.187
  318    HA   ALA  48           HA       ALA  48   8.187  -3.386 -14.520
  319    HB1  ALA  48           1HB      ALA  48  10.237  -3.762 -13.609
  320    HB2  ALA  48           2HB      ALA  48  10.638  -4.345 -15.224
  321    HB3  ALA  48           3HB      ALA  48  10.178  -5.488 -13.963
  322    H    ARG  49           H        ARG  49   9.658  -3.039 -16.604
  323    HA   ARG  49           HA       ARG  49   8.742  -4.825 -18.799
  324    HB2  ARG  49           2HB      ARG  49   8.647  -1.809 -19.048
  325    HB3  ARG  49           1HB      ARG  49   7.948  -3.010 -20.132
  326    HG2  ARG  49           2HG      ARG  49   7.059  -2.925 -17.266
  327    HG3  ARG  49           1HG      ARG  49   6.399  -1.759 -18.412
  328    HD2  ARG  49           2HD      ARG  49   5.875  -3.747 -19.928
  329    HD3  ARG  49           1HD      ARG  49   6.242  -4.775 -18.542
  330    HE   ARG  49           HE       ARG  49   4.417  -3.199 -17.405
  331   HH11  ARG  49          1HH2      ARG  49   3.536  -5.791 -18.667
  332   HH12  ARG  49          2HH2      ARG  49   2.257  -5.260 -19.708
  333   HH21  ARG  49          1HH1      ARG  49   3.190  -1.923 -19.588
  334   HH22  ARG  49          2HH1      ARG  49   2.062  -3.069 -20.230
  335    H    GLY  50           H        GLY  50  10.373  -5.050 -20.389
  336    HA2  GLY  50           2HA      GLY  50  12.548  -4.848 -21.286
  337    HA3  GLY  50           1HA      GLY  50  12.477  -3.165 -20.768
  338    H    ASP  51           H        ASP  51  13.649  -2.564 -18.983
  339    HA   ASP  51           HA       ASP  51  15.537  -4.352 -17.788
  340    HB2  ASP  51           2HB      ASP  51  14.338  -1.717 -16.959
  341    HB3  ASP  51           1HB      ASP  51  15.446  -2.573 -15.892
  342    H    TRP  52           H        TRP  52  14.905  -6.101 -16.535
  343    HA   TRP  52           HA       TRP  52  12.303  -5.764 -15.159
  344    HB2  TRP  52           2HB      TRP  52  13.637  -8.064 -16.470
  345    HB3  TRP  52           1HB      TRP  52  12.551  -8.394 -15.113
  346    HD1  TRP  52           HD       TRP  52  10.198  -6.766 -15.300
  347    HE1  TRP  52           1HE      TRP  52   8.644  -6.590 -17.334
  348    HE3  TRP  52           3HE      TRP  52  13.417  -8.195 -18.969
  349    HZ2  TRP  52           2HZ      TRP  52   8.748  -6.949 -20.129
  350    HZ3  TRP  52           3HZ      TRP  52  12.663  -8.264 -21.336
  351    HH2  TRP  52           HH       TRP  52  10.332  -7.638 -21.923
  352    H    ASN  53           H        ASN  53  12.518  -5.188 -13.184
  353    HA   ASN  53           HA       ASN  53  14.138  -6.836 -11.327
  354    HB2  ASN  53           2HB      ASN  53  14.314  -3.864 -11.752
  355    HB3  ASN  53           1HB      ASN  53  14.469  -4.490 -10.110
  356   HD21  ASN  53          1HD2      ASN  53  16.579  -3.290 -11.949
  357   HD22  ASN  53          2HD2      ASN  53  17.803  -4.464 -12.023
  358    H    ASP  54           H        ASP  54  11.840  -7.634 -11.255
  359    HA   ASP  54           HA       ASP  54   9.524  -6.373 -10.623
  360    HB2  ASP  54           2HB      ASP  54   9.106  -8.323  -8.964
  361    HB3  ASP  54           1HB      ASP  54   9.442  -8.729 -10.646
  362    H    ASP  55           H        ASP  55   8.566  -5.357  -8.888
  363    HA   ASP  55           HA       ASP  55  10.385  -4.365  -6.790
  364    HB2  ASP  55           2HB      ASP  55   8.405  -3.129  -8.171
  365    HB3  ASP  55           1HB      ASP  55   7.506  -3.641  -6.742
  366    H    ARG  56           H        ARG  56  10.040  -4.769  -4.560
  367    HA   ARG  56           HA       ARG  56   7.988  -6.849  -3.935
  368    HB2  ARG  56           2HB      ARG  56  10.847  -6.735  -2.934
  369    HB3  ARG  56           1HB      ARG  56   9.623  -7.885  -2.396
  370    HG2  ARG  56           2HG      ARG  56  10.290  -7.604  -5.320
  371    HG3  ARG  56           1HG      ARG  56  11.258  -8.637  -4.268
  372    HD2  ARG  56           2HD      ARG  56   9.279  -9.923  -3.644
  373    HD3  ARG  56           1HD      ARG  56   8.250  -8.849  -4.591
  374    HE   ARG  56           HE       ARG  56   8.831 -10.152  -6.455
  375   HH11  ARG  56          1HH2      ARG  56  11.753  -9.139  -6.003
  376   HH12  ARG  56          2HH2      ARG  56  12.600 -10.649  -6.063
  377   HH21  ARG  56          1HH1      ARG  56   9.736 -12.573  -5.716
  378   HH22  ARG  56          2HH1      ARG  56  11.459 -12.592  -5.900
  379    H    CYS  57           H        CYS  57   6.637  -6.125  -2.356
  380    HA   CYS  57           HA       CYS  57   6.853  -3.657  -1.043
  381    HB2  CYS  57           2HB      CYS  57   5.671  -6.088   0.314
  382    HB3  CYS  57           1HB      CYS  57   5.170  -4.407   0.468
  383    H    THR  58           H        THR  58   7.689  -3.052   1.010
  384    HA   THR  58           HA       THR  58  10.018  -4.649   1.849
  385    HB   THR  58           HB       THR  58  10.702  -2.730   3.065
  386    HG1  THR  58           1HG      THR  58   9.258  -1.698   4.151
  387   HG21  THR  58          3HG2      THR  58  10.162  -0.810   1.449
  388   HG22  THR  58          1HG2      THR  58   9.194  -1.985   0.559
  389   HG23  THR  58          2HG2      THR  58  10.928  -2.239   0.756
  390    H    GLY  59           H        GLY  59   6.870  -4.972   2.493
  391    HA2  GLY  59           2HA      GLY  59   5.923  -6.350   4.195
  392    HA3  GLY  59           1HA      GLY  59   7.406  -6.170   5.132
  393    H    GLN  60           H        GLN  60   7.102  -3.137   4.484
  394    HA   GLN  60           HA       GLN  60   4.968  -2.580   6.502
  395    HB2  GLN  60           2HB      GLN  60   7.548  -1.017   6.305
  396    HB3  GLN  60           1HB      GLN  60   6.361  -0.999   7.610
  397    HG2  GLN  60           2HG      GLN  60   7.380  -3.686   7.087
  398    HG3  GLN  60           1HG      GLN  60   8.664  -2.560   7.527
  399   HE21  GLN  60          1HE2      GLN  60   8.662  -4.005   9.578
  400   HE22  GLN  60          2HE2      GLN  60   7.591  -3.577  10.823
  401    H    SER  61           H        SER  61   5.934  -2.140   3.374
  402    HA   SER  61           HA       SER  61   4.953   0.661   3.197
  403    HB2  SER  61           2HB      SER  61   6.026  -1.073   0.962
  404    HB3  SER  61           1HB      SER  61   5.849   0.679   0.969
  405    HG   SER  61           HG       SER  61   8.006  -0.365   1.475
  406    H    ALA  62           H        ALA  62   2.840   0.991   2.716
  407    HA   ALA  62           HA       ALA  62   1.161  -1.250   1.852
  408    HB1  ALA  62           1HB      ALA  62  -0.518   0.841   1.719
  409    HB2  ALA  62           2HB      ALA  62   0.717   1.558   2.754
  410    HB3  ALA  62           3HB      ALA  62  -0.100   0.076   3.252
  411    H    ASP  63           H        ASP  63   2.338   1.812   0.483
  412    HA   ASP  63           HA       ASP  63   1.029   1.257  -2.092
  413    HB2  ASP  63           2HB      ASP  63   3.054   3.412  -1.421
  414    HB3  ASP  63           1HB      ASP  63   1.953   3.382  -2.798
  415    H    CYS  64           H        CYS  64   2.358   1.128  -4.101
  416    HA   CYS  64           HA       CYS  64   5.022  -0.131  -3.571
  417    HB2  CYS  64           2HB      CYS  64   3.465  -1.870  -4.238
  418    HB3  CYS  64           1HB      CYS  64   2.918  -0.913  -5.612
  419    HA   PRO  65           HA       PRO  65   6.421   2.978  -6.347
  420    HB2  PRO  65           2HB      PRO  65   9.021   2.133  -6.321
  421    HB3  PRO  65           1HB      PRO  65   8.307   3.089  -5.024
  422    HG2  PRO  65           2HG      PRO  65   9.045   0.211  -5.072
  423    HG3  PRO  65           1HG      PRO  65   8.855   1.297  -3.685
  424    HD2  PRO  65           2HD      PRO  65   6.984  -0.644  -4.575
  425    HD3  PRO  65           1HD      PRO  65   6.706   0.614  -3.352
  426    H    ARG  66           H        ARG  66   7.534   3.015  -8.518
  427    HA   ARG  66           HA       ARG  66   7.779   0.388  -9.864
  428    HB2  ARG  66           2HB      ARG  66   6.397   1.640 -11.801
  429    HB3  ARG  66           1HB      ARG  66   5.610   0.638 -10.583
  430    HG2  ARG  66           2HG      ARG  66   4.434   2.768 -10.741
  431    HG3  ARG  66           1HG      ARG  66   5.266   2.683  -9.187
  432    HD2  ARG  66           2HD      ARG  66   7.186   3.938 -10.243
  433    HD3  ARG  66           1HD      ARG  66   6.167   4.177 -11.663
  434    HE   ARG  66           HE       ARG  66   5.638   5.335  -8.966
  435   HH11  ARG  66          1HH2      ARG  66   6.332   6.994 -11.401
  436   HH12  ARG  66          2HH2      ARG  66   4.769   7.550 -11.898
  437   HH21  ARG  66          1HH1      ARG  66   3.043   5.216 -10.006
  438   HH22  ARG  66          2HH1      ARG  66   2.908   6.543 -11.110
  439    H    TYR  67           H        TYR  67   8.264   1.066 -12.393
  440    HA   TYR  67           HA       TYR  67   9.932   3.482 -12.548
  441    HB2  TYR  67           2HB      TYR  67  11.215   0.773 -12.979
  442    HB3  TYR  67           1HB      TYR  67  12.008   2.349 -12.983
  443    HD1  TYR  67           1HD      TYR  67  10.403  -0.225 -10.871
  444    HD2  TYR  67           2HD      TYR  67  12.526   3.510 -10.918
  445    HE1  TYR  67           1HE      TYR  67  10.779  -0.407  -8.427
  446    HE2  TYR  67           2HE      TYR  67  12.899   3.327  -8.474
  447    HH   TYR  67           HH       TYR  67  12.640   2.076  -6.665
  448    H    HIS  68           H        HIS  68   9.565   0.326 -14.208
  449    HA   HIS  68           HA       HIS  68   9.617   1.653 -16.821
  450    HB2  HIS  68           2HB      HIS  68   8.756  -1.192 -16.553
  451    HB3  HIS  68           1HB      HIS  68   9.860  -0.460 -17.715
  452    HD1  HIS  68           1HD      HIS  68  12.342  -0.156 -16.989
  453    HD2  HIS  68           2HD      HIS  68   9.962  -1.992 -14.102
  454    HE1  HIS  68           1HE      HIS  68  13.924  -1.094 -15.248
  Start of MODEL    5
    1    H    GLY   1           1HT      GLY   1   3.986  10.529   7.964
    2    HA2  GLY   1           1HA      GLY   1   4.698  12.801   6.696
    3    HA3  GLY   1           2HA      GLY   1   3.920  11.415   5.933
    4    H    LYS   2           H        LYS   2   1.683  11.535   5.454
    5    HA   LYS   2           HA       LYS   2   0.614  14.300   5.407
    6    HB2  LYS   2           2HB      LYS   2   0.440  12.023   3.676
    7    HB3  LYS   2           1HB      LYS   2  -1.189  12.437   4.212
    8    HG2  LYS   2           2HG      LYS   2  -0.992  14.676   3.408
    9    HG3  LYS   2           1HG      LYS   2   0.748  14.513   3.173
   10    HD2  LYS   2           2HD      LYS   2  -0.005  12.517   1.585
   11    HD3  LYS   2           1HD      LYS   2  -1.497  13.456   1.504
   12    HE2  LYS   2           2HE      LYS   2   0.737  15.242   1.252
   13    HE3  LYS   2           1HE      LYS   2   0.931  13.922   0.098
   14    HZ1  LYS   2           3HZ      LYS   2  -1.600  14.396  -0.296
   15    HZ2  LYS   2           1HZ      LYS   2  -0.408  15.310  -1.085
   16    HZ3  LYS   2           2HZ      LYS   2  -1.186  15.937   0.289
   17    H    GLU   3           H        GLU   3  -1.955  14.245   5.676
   18    HA   GLU   3           HA       GLU   3  -2.445  12.949   8.317
   19    HB2  GLU   3           2HB      GLU   3  -3.114  15.536   7.156
   20    HB3  GLU   3           1HB      GLU   3  -4.545  14.718   7.785
   21    HG2  GLU   3           2HG      GLU   3  -3.531  14.457   9.957
   22    HG3  GLU   3           1HG      GLU   3  -1.973  15.026   9.357
   23    H    CYS   4           H        CYS   4  -2.801  11.985   5.339
   24    HA   CYS   4           HA       CYS   4  -5.466  10.782   5.886
   25    HB2  CYS   4           2HB      CYS   4  -5.877  12.529   4.240
   26    HB3  CYS   4           1HB      CYS   4  -4.549  11.940   3.240
   27    H    ASP   5           H        ASP   5  -5.457   8.594   5.605
   28    HA   ASP   5           HA       ASP   5  -3.002   7.396   4.406
   29    HB2  ASP   5           2HB      ASP   5  -3.533   6.839   6.787
   30    HB3  ASP   5           1HB      ASP   5  -5.048   6.116   6.242
   31    H    CYS   6           H        CYS   6  -6.465   7.625   4.081
   32    HA   CYS   6           HA       CYS   6  -6.323   5.636   1.848
   33    HB2  CYS   6           2HB      CYS   6  -8.621   5.055   2.276
   34    HB3  CYS   6           1HB      CYS   6  -7.778   4.998   3.824
   35    H    SER   7           H        SER   7  -6.942   6.373  -0.152
   36    HA   SER   7           HA       SER   7  -7.535   9.231  -0.432
   37    HB2  SER   7           2HB      SER   7  -7.062   6.964  -2.364
   38    HB3  SER   7           1HB      SER   7  -7.666   8.520  -2.926
   39    HG   SER   7           HG       SER   7  -5.215   7.957  -2.619
   40    H    SER   8           H        SER   8  -9.354   6.415   0.035
   41    HA   SER   8           HA       SER   8 -11.713   7.507  -1.402
   42    HB2  SER   8           2HB      SER   8 -10.888   4.829  -0.420
   43    HB3  SER   8           1HB      SER   8 -12.610   5.191  -0.330
   44    HG   SER   8           HG       SER   8 -11.204   4.488  -2.447
   45    HA   PRO   9           HA       PRO   9 -12.963   9.066   2.601
   46    HB2  PRO   9           2HB      PRO   9 -15.163  10.414   1.655
   47    HB3  PRO   9           1HB      PRO   9 -13.508  11.039   1.543
   48    HG2  PRO   9           2HG      PRO   9 -15.229   9.886  -0.601
   49    HG3  PRO   9           1HG      PRO   9 -13.897  11.047  -0.734
   50    HD2  PRO   9           2HD      PRO   9 -13.755   8.279  -1.324
   51    HD3  PRO   9           1HD      PRO   9 -12.375   9.383  -1.144
   52    H    GLU  10           H        GLU  10 -14.344   6.667   0.752
   53    HA   GLU  10           HA       GLU  10 -16.699   6.396   2.574
   54    HB2  GLU  10           2HB      GLU  10 -16.506   6.198  -0.231
   55    HB3  GLU  10           1HB      GLU  10 -16.704   4.543   0.349
   56    HG2  GLU  10           2HG      GLU  10 -18.846   4.908   0.981
   57    HG3  GLU  10           1HG      GLU  10 -18.447   6.455   1.728
   58    H    ASN  11           H        ASN  11 -13.656   5.476   2.604
   59    HA   ASN  11           HA       ASN  11 -14.024   2.574   2.938
   60    HB2  ASN  11           2HB      ASN  11 -11.909   4.029   2.079
   61    HB3  ASN  11           1HB      ASN  11 -11.492   3.876   3.786
   62   HD21  ASN  11          1HD2      ASN  11 -10.853   2.405   0.939
   63   HD22  ASN  11          2HD2      ASN  11 -10.704   0.792   1.448
   64    HA   PRO  12           HA       PRO  12 -14.878   3.207   7.266
   65    HB2  PRO  12           2HB      PRO  12 -15.145   0.541   7.878
   66    HB3  PRO  12           1HB      PRO  12 -16.411   1.496   7.089
   67    HG2  PRO  12           2HG      PRO  12 -14.598  -0.555   5.908
   68    HG3  PRO  12           1HG      PRO  12 -16.211  -0.046   5.381
   69    HD2  PRO  12           2HD      PRO  12 -13.755   0.745   4.211
   70    HD3  PRO  12           1HD      PRO  12 -15.342   1.482   3.910
   71    H    CYS  13           H        CYS  13 -12.230   1.428   5.911
   72    HA   CYS  13           HA       CYS  13 -10.983   0.723   8.445
   73    HB2  CYS  13           2HB      CYS  13 -10.405   0.408   5.585
   74    HB3  CYS  13           1HB      CYS  13  -8.963   0.722   6.552
   75    H    CYS  14           H        CYS  14 -11.400   3.642   6.837
   76    HA   CYS  14           HA       CYS  14  -9.151   4.823   8.391
   77    HB2  CYS  14           2HB      CYS  14  -8.496   6.226   6.544
   78    HB3  CYS  14           1HB      CYS  14  -8.532   4.564   5.956
   79    H    ASP  15           H        ASP  15  -9.669   6.736   9.389
   80    HA   ASP  15           HA       ASP  15 -12.456   7.503   9.534
   81    HB2  ASP  15           2HB      ASP  15 -10.547   7.752  11.317
   82    HB3  ASP  15           1HB      ASP  15 -10.199   9.259  10.469
   83    H    ALA  16           H        ALA  16 -13.503   8.955   8.253
   84    HA   ALA  16           HA       ALA  16 -12.112  10.201   6.029
   85    HB1  ALA  16           1HB      ALA  16 -14.947  10.441   7.071
   86    HB2  ALA  16           2HB      ALA  16 -14.393   9.506   5.683
   87    HB3  ALA  16           3HB      ALA  16 -14.375  11.268   5.622
   88    H    ALA  17           H        ALA  17 -13.396  11.319   9.140
   89    HA   ALA  17           HA       ALA  17 -13.236  14.095   8.796
   90    HB1  ALA  17           1HB      ALA  17 -14.004  12.910  10.879
   91    HB2  ALA  17           2HB      ALA  17 -12.910  14.257  11.195
   92    HB3  ALA  17           3HB      ALA  17 -12.311  12.599  11.267
   93    H    THR  18           H        THR  18 -10.604  11.944   9.934
   94    HA   THR  18           HA       THR  18  -8.665  14.110   9.332
   95    HB   THR  18           HB       THR  18  -8.515  12.867  11.507
   96    HG1  THR  18           1HG      THR  18  -6.542  13.479  11.218
   97   HG21  THR  18          3HG2      THR  18  -8.425  10.609  11.607
   98   HG22  THR  18          1HG2      THR  18  -7.277  10.513  10.273
   99   HG23  THR  18          2HG2      THR  18  -9.004  10.646   9.942
  100    H    CYS  19           H        CYS  19  -9.863  11.115   8.084
  101    HA   CYS  19           HA       CYS  19  -9.486  10.193   5.938
  102    HB2  CYS  19           2HB      CYS  19  -8.632  12.648   5.469
  103    HB3  CYS  19           1HB      CYS  19  -7.042  11.891   5.556
  104    H    LYS  20           H        LYS  20  -8.004   9.597   8.603
  105    HA   LYS  20           HA       LYS  20  -5.822   7.977   7.331
  106    HB2  LYS  20           2HB      LYS  20  -5.890   9.202  10.104
  107    HB3  LYS  20           1HB      LYS  20  -4.643   8.097   9.526
  108    HG2  LYS  20           2HG      LYS  20  -4.678   9.956   7.514
  109    HG3  LYS  20           1HG      LYS  20  -5.047  10.957   8.919
  110    HD2  LYS  20           2HD      LYS  20  -2.729  10.987   8.990
  111    HD3  LYS  20           1HD      LYS  20  -3.060   9.588  10.011
  112    HE2  LYS  20           2HE      LYS  20  -2.844   8.136   7.963
  113    HE3  LYS  20           1HE      LYS  20  -2.307   9.564   7.077
  114    HZ1  LYS  20           3HZ      LYS  20  -1.013   8.438   9.501
  115    HZ2  LYS  20           1HZ      LYS  20  -0.501   9.822   8.665
  116    HZ3  LYS  20           2HZ      LYS  20  -0.432   8.302   7.911
  117    H    LEU  21           H        LEU  21  -5.263   6.005   8.749
  118    HA   LEU  21           HA       LEU  21  -7.474   4.273   8.943
  119    HB2  LEU  21           2HB      LEU  21  -4.715   4.244  10.128
  120    HB3  LEU  21           1HB      LEU  21  -5.879   3.002  10.591
  121    HG   LEU  21           HG       LEU  21  -6.146   3.129   7.832
  122   HD11  LEU  21          1HD1      LEU  21  -3.189   3.081   8.441
  123   HD12  LEU  21          2HD1      LEU  21  -4.015   4.559   7.942
  124   HD13  LEU  21          3HD1      LEU  21  -3.976   3.162   6.865
  125   HD21  LEU  21          3HD2      LEU  21  -5.660   1.239   9.752
  126   HD22  LEU  21          1HD2      LEU  21  -4.151   1.198   8.840
  127   HD23  LEU  21          2HD2      LEU  21  -5.685   0.907   8.021
  128    H    ARG  22           H        ARG  22  -9.111   4.151  10.403
  129    HA   ARG  22           HA       ARG  22  -8.950   5.817  12.834
  130    HB2  ARG  22           2HB      ARG  22 -10.988   5.467  11.150
  131    HB3  ARG  22           1HB      ARG  22 -11.345   4.138  12.253
  132    HG2  ARG  22           2HG      ARG  22 -10.625   6.449  13.796
  133    HG3  ARG  22           1HG      ARG  22 -11.882   6.900  12.642
  134    HD2  ARG  22           2HD      ARG  22 -13.239   4.959  13.389
  135    HD3  ARG  22           1HD      ARG  22 -11.999   4.572  14.582
  136    HE   ARG  22           HE       ARG  22 -12.509   6.974  15.462
  137   HH11  ARG  22          1HH1      ARG  22 -14.755   7.306  13.432
  138   HH12  ARG  22          2HH1      ARG  22 -16.140   6.912  14.395
  139   HH21  ARG  22          1HH2      ARG  22 -14.291   5.409  16.915
  140   HH22  ARG  22          2HH2      ARG  22 -15.877   5.838  16.366
  141    HA   PRO  23           HA       PRO  23  -9.672   1.530  14.797
  142    HB2  PRO  23           2HB      PRO  23  -9.445  -0.678  13.177
  143    HB3  PRO  23           1HB      PRO  23 -10.967   0.183  13.455
  144    HG2  PRO  23           2HG      PRO  23  -9.234   0.179  11.038
  145    HG3  PRO  23           1HG      PRO  23 -10.966   0.523  11.176
  146    HD2  PRO  23           2HD      PRO  23  -8.876   2.435  10.916
  147    HD3  PRO  23           1HD      PRO  23 -10.579   2.777  11.286
  148    H    GLY  24           H        GLY  24  -8.203  -0.852  14.637
  149    HA2  GLY  24           2HA      GLY  24  -5.461   0.190  14.947
  150    HA3  GLY  24           1HA      GLY  24  -6.024  -1.407  15.438
  151    H    ALA  25           H        ALA  25  -6.711  -0.150  12.239
  152    HA   ALA  25           HA       ALA  25  -5.319  -2.435  11.048
  153    HB1  ALA  25           1HB      ALA  25  -6.071  -1.249   8.878
  154    HB2  ALA  25           2HB      ALA  25  -6.939  -0.139   9.939
  155    HB3  ALA  25           3HB      ALA  25  -7.338  -1.857   9.946
  156    H    GLN  26           H        GLN  26  -3.445  -2.314   9.733
  157    HA   GLN  26           HA       GLN  26  -1.683  -0.048  10.341
  158    HB2  GLN  26           2HB      GLN  26  -1.358  -2.786   9.544
  159    HB3  GLN  26           1HB      GLN  26  -0.532  -1.761   8.371
  160    HG2  GLN  26           2HG      GLN  26   1.077  -1.189   9.851
  161    HG3  GLN  26           1HG      GLN  26  -0.102  -0.875  11.125
  162   HE21  GLN  26          1HE2      GLN  26   1.559  -2.038  12.543
  163   HE22  GLN  26          2HE2      GLN  26   1.521  -3.734  12.589
  164    H    CYS  27           H        CYS  27  -3.817  -1.009   7.820
  165    HA   CYS  27           HA       CYS  27  -3.255   1.459   6.356
  166    HB2  CYS  27           2HB      CYS  27  -2.822   0.267   4.196
  167    HB3  CYS  27           1HB      CYS  27  -1.533   0.036   5.376
  168    H    GLY  28           H        GLY  28  -5.002   1.990   4.956
  169    HA2  GLY  28           2HA      GLY  28  -7.424   0.321   5.377
  170    HA3  GLY  28           1HA      GLY  28  -7.423   2.003   4.852
  171    H    GLU  29           H        GLU  29  -5.360   1.657   2.871
  172    HA   GLU  29           HA       GLU  29  -6.464  -0.347   1.005
  173    HB2  GLU  29           2HB      GLU  29  -6.972   1.263  -0.696
  174    HB3  GLU  29           1HB      GLU  29  -7.788   1.789   0.769
  175    HG2  GLU  29           2HG      GLU  29  -6.775   3.782   0.402
  176    HG3  GLU  29           1HG      GLU  29  -5.327   2.988   1.023
  177    H    GLY  30           H        GLY  30  -5.019  -0.715  -0.821
  178    HA2  GLY  30           2HA      GLY  30  -2.711   0.595  -1.548
  179    HA3  GLY  30           1HA      GLY  30  -2.220  -0.291  -0.105
  180    H    LEU  31           H        LEU  31  -0.885  -1.087  -2.236
  181    HA   LEU  31           HA       LEU  31  -2.294  -3.186  -3.720
  182    HB2  LEU  31           2HB      LEU  31   0.329  -1.856  -3.828
  183    HB3  LEU  31           1HB      LEU  31   0.381  -3.575  -4.214
  184    HG   LEU  31           HG       LEU  31  -1.483  -1.554  -5.490
  185   HD11  LEU  31          1HD1      LEU  31   0.647  -1.110  -6.394
  186   HD12  LEU  31          2HD1      LEU  31  -0.046  -2.260  -7.536
  187   HD13  LEU  31          3HD1      LEU  31   1.124  -2.807  -6.336
  188   HD21  LEU  31          3HD2      LEU  31  -1.848  -4.271  -5.185
  189   HD22  LEU  31          1HD2      LEU  31  -1.041  -4.178  -6.751
  190   HD23  LEU  31          2HD2      LEU  31  -2.548  -3.302  -6.482
  191    H    CYS  32           H        CYS  32   0.440  -3.130  -1.399
  192    HA   CYS  32           HA       CYS  32   0.048  -6.043  -0.984
  193    HB2  CYS  32           2HB      CYS  32   2.181  -4.273   0.228
  194    HB3  CYS  32           1HB      CYS  32   2.192  -6.031   0.092
  195    H    CYS  33           H        CYS  33  -2.120  -5.104   0.068
  196    HA   CYS  33           HA       CYS  33  -1.581  -5.089   2.985
  197    HB2  CYS  33           2HB      CYS  33  -2.686  -2.859   1.436
  198    HB3  CYS  33           1HB      CYS  33  -3.724  -3.349   2.775
  199    H    GLU  34           H        GLU  34  -2.699  -6.802   3.750
  200    HA   GLU  34           HA       GLU  34  -5.268  -7.524   2.413
  201    HB2  GLU  34           2HB      GLU  34  -3.404  -9.185   4.140
  202    HB3  GLU  34           1HB      GLU  34  -4.931  -9.759   3.466
  203    HG2  GLU  34           2HG      GLU  34  -4.105  -9.377   1.193
  204    HG3  GLU  34           1HG      GLU  34  -2.597  -8.719   1.832
  205    H    GLN  35           H        GLN  35  -7.122  -7.289   3.579
  206    HA   GLN  35           HA       GLN  35  -8.528  -6.825   5.393
  207    HB2  GLN  35           2HB      GLN  35  -6.259  -8.298   6.725
  208    HB3  GLN  35           1HB      GLN  35  -7.595  -7.644   7.672
  209    HG2  GLN  35           2HG      GLN  35  -8.014  -9.443   5.276
  210    HG3  GLN  35           1HG      GLN  35  -7.875 -10.060   6.923
  211   HE21  GLN  35          1HE2      GLN  35  -9.949  -8.236   4.721
  212   HE22  GLN  35          2HE2      GLN  35 -11.299  -8.180   5.749
  213    H    CYS  36           H        CYS  36  -6.800  -4.756   4.456
  214    HA   CYS  36           HA       CYS  36  -6.112  -2.609   5.100
  215    HB2  CYS  36           2HB      CYS  36  -7.571  -3.402   7.638
  216    HB3  CYS  36           1HB      CYS  36  -6.975  -1.776   7.294
  217    H    LYS  37           H        LYS  37  -4.569  -5.173   5.814
  218    HA   LYS  37           HA       LYS  37  -2.827  -3.943   7.912
  219    HB2  LYS  37           2HB      LYS  37  -3.795  -6.693   7.485
  220    HB3  LYS  37           1HB      LYS  37  -2.060  -6.582   7.785
  221    HG2  LYS  37           2HG      LYS  37  -2.479  -5.270   9.821
  222    HG3  LYS  37           1HG      LYS  37  -4.215  -5.339   9.520
  223    HD2  LYS  37           2HD      LYS  37  -4.117  -7.820   9.652
  224    HD3  LYS  37           1HD      LYS  37  -2.397  -7.713  10.033
  225    HE2  LYS  37           2HE      LYS  37  -3.000  -6.273  12.009
  226    HE3  LYS  37           1HE      LYS  37  -4.697  -6.610  11.670
  227    HZ1  LYS  37           3HZ      LYS  37  -2.666  -8.726  12.106
  228    HZ2  LYS  37           1HZ      LYS  37  -4.350  -8.914  12.026
  229    HZ3  LYS  37           2HZ      LYS  37  -3.649  -8.103  13.344
  230    H    PHE  38           H        PHE  38  -0.472  -4.403   7.602
  231    HA   PHE  38           HA       PHE  38   0.283  -3.947   4.818
  232    HB2  PHE  38           2HB      PHE  38   1.804  -4.204   7.411
  233    HB3  PHE  38           1HB      PHE  38   2.644  -4.120   5.866
  234    HD1  PHE  38           2HD      PHE  38   1.172  -2.243   4.273
  235    HD2  PHE  38           1HD      PHE  38   1.959  -2.144   8.495
  236    HE1  PHE  38           2HE      PHE  38   0.920   0.224   4.263
  237    HE2  PHE  38           1HE      PHE  38   1.708   0.323   8.483
  238    HZ   PHE  38           HZ       PHE  38   1.188   1.507   6.368
  239    H    SER  39           H        SER  39   0.751  -5.550   3.374
  240    HA   SER  39           HA       SER  39   0.654  -8.322   4.082
  241    HB2  SER  39           2HB      SER  39   1.957  -7.073   1.638
  242    HB3  SER  39           1HB      SER  39   1.436  -8.748   1.804
  243    HG   SER  39           HG       SER  39  -0.110  -7.418   0.726
  244    H    ARG  40           H        ARG  40   3.208  -8.901   2.427
  245    HA   ARG  40           HA       ARG  40   5.104  -8.493   4.707
  246    HB2  ARG  40           2HB      ARG  40   4.940 -10.777   2.711
  247    HB3  ARG  40           1HB      ARG  40   6.210 -10.594   3.920
  248    HG2  ARG  40           2HG      ARG  40   4.896 -11.610   5.433
  249    HG3  ARG  40           1HG      ARG  40   3.718 -10.307   5.266
  250    HD2  ARG  40           2HD      ARG  40   2.334 -11.926   4.476
  251    HD3  ARG  40           1HD      ARG  40   3.264 -11.773   2.986
  252    HE   ARG  40           HE       ARG  40   4.320 -13.843   3.480
  253   HH11  ARG  40          1HH1      ARG  40   1.693 -14.605   4.710
  254   HH12  ARG  40          2HH1      ARG  40   2.176 -15.170   6.274
  255   HH21  ARG  40          1HH2      ARG  40   5.317 -13.710   6.127
  256   HH22  ARG  40          2HH2      ARG  40   4.227 -14.664   7.076
  257    H    ALA  41           H        ALA  41   7.405  -8.288   4.049
  258    HA   ALA  41           HA       ALA  41   7.695  -6.459   1.820
  259    HB1  ALA  41           1HB      ALA  41   9.092  -6.664   4.042
  260    HB2  ALA  41           2HB      ALA  41   9.896  -6.166   2.552
  261    HB3  ALA  41           3HB      ALA  41  10.035  -7.832   3.117
  262    H    GLY  42           H        GLY  42   9.428  -6.882   0.101
  263    HA2  GLY  42           2HA      GLY  42  10.256  -8.215  -1.656
  264    HA3  GLY  42           1HA      GLY  42  10.025  -9.622  -0.615
  265    H    LYS  43           H        LYS  43   7.323  -7.515  -1.045
  266    HA   LYS  43           HA       LYS  43   5.895  -9.681  -2.473
  267    HB2  LYS  43           2HB      LYS  43   4.568  -8.821  -0.742
  268    HB3  LYS  43           1HB      LYS  43   5.078  -7.163  -1.043
  269    HG2  LYS  43           2HG      LYS  43   2.719  -7.648  -1.779
  270    HG3  LYS  43           1HG      LYS  43   3.760  -7.056  -3.069
  271    HD2  LYS  43           2HD      LYS  43   4.153  -9.385  -3.813
  272    HD3  LYS  43           1HD      LYS  43   3.079  -9.963  -2.539
  273    HE2  LYS  43           2HE      LYS  43   2.400  -8.400  -5.016
  274    HE3  LYS  43           1HE      LYS  43   1.632  -9.853  -4.375
  275    HZ1  LYS  43           3HZ      LYS  43   1.431  -7.084  -3.344
  276    HZ2  LYS  43           1HZ      LYS  43   0.939  -8.433  -2.441
  277    HZ3  LYS  43           2HZ      LYS  43   0.180  -8.079  -3.918
  278    H    ILE  44           H        ILE  44   6.195  -9.673  -4.657
  279    HA   ILE  44           HA       ILE  44   6.970  -7.448  -6.235
  280    HB   ILE  44           HB       ILE  44   7.168  -9.726  -7.081
  281   HG12  ILE  44          2HG1      ILE  44   6.212  -9.399  -9.317
  282   HG13  ILE  44          1HG1      ILE  44   5.125  -8.160  -8.689
  283   HG21  ILE  44          1HG2      ILE  44   5.498 -11.176  -6.651
  284   HG22  ILE  44          2HG2      ILE  44   4.535 -10.357  -7.880
  285   HG23  ILE  44          3HG2      ILE  44   4.419  -9.860  -6.192
  286   HD11  ILE  44          3HD1      ILE  44   6.854  -6.625  -8.350
  287   HD12  ILE  44          1HD1      ILE  44   7.372  -7.434  -9.829
  288   HD13  ILE  44          2HD1      ILE  44   8.089  -7.882  -8.282
  289    H    CYS  45           H        CYS  45   5.557  -5.730  -5.410
  290    HA   CYS  45           HA       CYS  45   2.691  -5.822  -5.761
  291    HB2  CYS  45           2HB      CYS  45   2.877  -3.325  -5.473
  292    HB3  CYS  45           1HB      CYS  45   3.652  -4.250  -4.188
  293    H    ARG  46           H        ARG  46   5.351  -5.267  -7.874
  294    HA   ARG  46           HA       ARG  46   3.476  -4.828 -10.119
  295    HB2  ARG  46           2HB      ARG  46   4.643  -2.621  -8.975
  296    HB3  ARG  46           1HB      ARG  46   5.812  -3.031 -10.232
  297    HG2  ARG  46           2HG      ARG  46   4.366  -1.732 -11.478
  298    HG3  ARG  46           1HG      ARG  46   3.598  -3.307 -11.692
  299    HD2  ARG  46           2HD      ARG  46   2.060  -2.837  -9.843
  300    HD3  ARG  46           1HD      ARG  46   2.853  -1.289  -9.552
  301    HE   ARG  46           HE       ARG  46   2.061  -0.637 -11.871
  302   HH11  ARG  46          1HH2      ARG  46  -0.204  -0.984  -9.828
  303   HH12  ARG  46          2HH2      ARG  46  -1.362  -1.858 -10.776
  304   HH21  ARG  46          1HH1      ARG  46   0.922  -2.735 -13.237
  305   HH22  ARG  46          2HH1      ARG  46  -0.723  -2.850 -12.708
  306    H    ILE  47           H        ILE  47   4.117  -6.159 -11.737
  307    HA   ILE  47           HA       ILE  47   6.795  -7.381 -11.612
  308    HB   ILE  47           HB       ILE  47   4.785  -8.762 -12.095
  309   HG12  ILE  47          2HG1      ILE  47   5.730  -9.918 -14.085
  310   HG13  ILE  47          1HG1      ILE  47   6.780  -8.529 -14.372
  311   HG21  ILE  47          1HG2      ILE  47   4.153  -6.612 -13.794
  312   HG22  ILE  47          2HG2      ILE  47   3.262  -8.125 -13.630
  313   HG23  ILE  47          3HG2      ILE  47   4.504  -7.964 -14.871
  314   HD11  ILE  47          3HD1      ILE  47   8.242  -9.197 -12.788
  315   HD12  ILE  47          1HD1      ILE  47   7.371 -10.730 -12.762
  316   HD13  ILE  47          2HD1      ILE  47   6.951  -9.459 -11.615
  317    H    ALA  48           H        ALA  48   8.440  -6.982 -13.061
  318    HA   ALA  48           HA       ALA  48   8.155  -4.599 -14.774
  319    HB1  ALA  48           1HB      ALA  48  10.609  -4.967 -15.169
  320    HB2  ALA  48           2HB      ALA  48  10.517  -6.387 -14.127
  321    HB3  ALA  48           3HB      ALA  48  10.191  -4.786 -13.465
  322    H    ARG  49           H        ARG  49   8.935  -4.702 -17.042
  323    HA   ARG  49           HA       ARG  49   7.948  -7.180 -18.340
  324    HB2  ARG  49           2HB      ARG  49   8.545  -4.424 -19.458
  325    HB3  ARG  49           1HB      ARG  49   7.940  -5.782 -20.410
  326    HG2  ARG  49           2HG      ARG  49   5.918  -4.825 -19.872
  327    HG3  ARG  49           1HG      ARG  49   6.122  -5.825 -18.434
  328    HD2  ARG  49           2HD      ARG  49   5.587  -3.656 -17.611
  329    HD3  ARG  49           1HD      ARG  49   7.329  -3.816 -17.395
  330    HE   ARG  49           HE       ARG  49   7.448  -2.550 -19.665
  331   HH11  ARG  49          1HH1      ARG  49   6.545  -1.225 -16.896
  332   HH12  ARG  49          2HH1      ARG  49   5.424  -0.063 -17.524
  333   HH21  ARG  49          1HH2      ARG  49   5.305  -1.489 -20.682
  334   HH22  ARG  49          2HH2      ARG  49   4.722  -0.213 -19.667
  335    H    GLY  50           H        GLY  50  10.865  -5.515 -17.627
  336    HA2  GLY  50           2HA      GLY  50  12.748  -7.319 -18.121
  337    HA3  GLY  50           1HA      GLY  50  12.333  -6.927 -19.786
  338    H    ASP  51           H        ASP  51  14.814  -6.475 -18.149
  339    HA   ASP  51           HA       ASP  51  16.519  -4.893 -18.253
  340    HB2  ASP  51           2HB      ASP  51  14.556  -3.816 -20.091
  341    HB3  ASP  51           1HB      ASP  51  15.404  -2.530 -19.237
  342    H    TRP  52           H        TRP  52  13.412  -3.989 -16.868
  343    HA   TRP  52           HA       TRP  52  14.787  -1.989 -15.157
  344    HB2  TRP  52           2HB      TRP  52  12.074  -2.368 -14.321
  345    HB3  TRP  52           1HB      TRP  52  12.795  -0.948 -15.070
  346    HD1  TRP  52           HD       TRP  52  10.056  -3.165 -15.589
  347    HE1  TRP  52           1HE      TRP  52   9.348  -3.283 -18.066
  348    HE3  TRP  52           3HE      TRP  52  14.158  -1.071 -17.784
  349    HZ2  TRP  52           2HZ      TRP  52  10.378  -2.605 -20.624
  350    HZ3  TRP  52           3HZ      TRP  52  14.272  -0.825 -20.252
  351    HH2  TRP  52           HH       TRP  52  12.387  -1.589 -21.672
  352    H    ASN  53           H        ASN  53  13.244  -2.335 -12.806
  353    HA   ASN  53           HA       ASN  53  14.083  -5.072 -11.935
  354    HB2  ASN  53           2HB      ASN  53  14.107  -2.756 -10.029
  355    HB3  ASN  53           1HB      ASN  53  15.069  -4.234 -10.001
  356   HD21  ASN  53          1HD2      ASN  53  15.289  -0.951 -10.670
  357   HD22  ASN  53          2HD2      ASN  53  16.639  -0.979 -11.699
  358    H    ASP  54           H        ASP  54  12.463  -6.216 -10.968
  359    HA   ASP  54           HA       ASP  54   9.789  -5.251 -10.863
  360    HB2  ASP  54           2HB      ASP  54  10.789  -7.452  -9.063
  361    HB3  ASP  54           1HB      ASP  54   9.232  -7.319  -9.880
  362    H    ASP  55           H        ASP  55   8.542  -4.446  -9.143
  363    HA   ASP  55           HA       ASP  55  10.116  -3.270  -6.924
  364    HB2  ASP  55           2HB      ASP  55   7.612  -2.622  -8.332
  365    HB3  ASP  55           1HB      ASP  55   7.526  -2.407  -6.583
  366    H    ARG  56           H        ARG  56   9.880  -3.938  -4.813
  367    HA   ARG  56           HA       ARG  56   7.770  -5.983  -4.256
  368    HB2  ARG  56           2HB      ARG  56  10.563  -5.968  -3.088
  369    HB3  ARG  56           1HB      ARG  56   9.328  -7.211  -2.883
  370    HG2  ARG  56           2HG      ARG  56   9.632  -6.851  -5.674
  371    HG3  ARG  56           1HG      ARG  56  11.262  -6.934  -5.001
  372    HD2  ARG  56           2HD      ARG  56  10.432  -8.982  -3.684
  373    HD3  ARG  56           1HD      ARG  56   9.043  -8.971  -4.771
  374    HE   ARG  56           HE       ARG  56  11.677  -8.941  -6.090
  375   HH11  ARG  56          1HH1      ARG  56   9.228 -10.872  -4.638
  376   HH12  ARG  56          2HH1      ARG  56   9.407 -12.182  -5.757
  377   HH21  ARG  56          1HH2      ARG  56  11.814 -10.574  -7.666
  378   HH22  ARG  56          2HH2      ARG  56  10.872 -12.015  -7.471
  379    H    CYS  57           H        CYS  57   6.407  -5.240  -2.715
  380    HA   CYS  57           HA       CYS  57   6.725  -2.859  -1.255
  381    HB2  CYS  57           2HB      CYS  57   5.154  -5.368  -0.627
  382    HB3  CYS  57           1HB      CYS  57   5.075  -3.928   0.386
  383    H    THR  58           H        THR  58   7.462  -2.437   0.881
  384    HA   THR  58           HA       THR  58   9.699  -4.118   1.721
  385    HB   THR  58           HB       THR  58  10.363  -2.320   3.007
  386    HG1  THR  58           1HG      THR  58   8.898  -1.005   4.093
  387   HG21  THR  58          3HG2      THR  58   8.429  -0.598   1.552
  388   HG22  THR  58          1HG2      THR  58   9.437  -1.651   0.559
  389   HG23  THR  58          2HG2      THR  58  10.186  -0.485   1.649
  390    H    GLY  59           H        GLY  59   6.465  -4.441   2.194
  391    HA2  GLY  59           2HA      GLY  59   5.444  -6.049   3.643
  392    HA3  GLY  59           1HA      GLY  59   6.906  -6.052   4.629
  393    H    GLN  60           H        GLN  60   6.768  -2.975   4.493
  394    HA   GLN  60           HA       GLN  60   4.732  -2.688   6.665
  395    HB2  GLN  60           2HB      GLN  60   7.056  -0.820   6.186
  396    HB3  GLN  60           1HB      GLN  60   6.104  -1.024   7.656
  397    HG2  GLN  60           2HG      GLN  60   7.488  -2.640   8.384
  398    HG3  GLN  60           1HG      GLN  60   7.273  -3.550   6.887
  399   HE21  GLN  60          1HE2      GLN  60   9.832  -3.285   8.273
  400   HE22  GLN  60          2HE2      GLN  60  10.878  -2.441   7.237
  401    H    SER  61           H        SER  61   5.633  -1.718   3.502
  402    HA   SER  61           HA       SER  61   3.922   0.713   3.647
  403    HB2  SER  61           2HB      SER  61   6.000   1.151   2.551
  404    HB3  SER  61           1HB      SER  61   5.881  -0.318   1.587
  405    HG   SER  61           HG       SER  61   4.317   2.040   1.425
  406    H    ALA  62           H        ALA  62   2.166   0.974   2.153
  407    HA   ALA  62           HA       ALA  62   1.150  -1.618   1.056
  408    HB1  ALA  62           1HB      ALA  62  -0.523   0.771   1.876
  409    HB2  ALA  62           2HB      ALA  62  -0.165  -0.571   2.963
  410    HB3  ALA  62           3HB      ALA  62  -1.090  -0.855   1.489
  411    H    ASP  63           H        ASP  63   1.509   1.859   0.503
  412    HA   ASP  63           HA       ASP  63   0.336   1.721  -2.175
  413    HB2  ASP  63           2HB      ASP  63   2.093   3.959  -1.177
  414    HB3  ASP  63           1HB      ASP  63   0.733   4.041  -2.296
  415    H    CYS  64           H        CYS  64   1.720   0.015  -3.058
  416    HA   CYS  64           HA       CYS  64   4.518   0.014  -3.183
  417    HB2  CYS  64           2HB      CYS  64   3.293  -1.854  -4.091
  418    HB3  CYS  64           1HB      CYS  64   2.493  -0.822  -5.276
  419    HA   PRO  65           HA       PRO  65   5.374   3.661  -5.460
  420    HB2  PRO  65           2HB      PRO  65   8.065   3.199  -5.620
  421    HB3  PRO  65           1HB      PRO  65   7.278   3.832  -4.175
  422    HG2  PRO  65           2HG      PRO  65   8.393   1.125  -4.695
  423    HG3  PRO  65           1HG      PRO  65   8.130   1.952  -3.151
  424    HD2  PRO  65           2HD      PRO  65   6.489  -0.073  -4.264
  425    HD3  PRO  65           1HD      PRO  65   6.095   0.961  -2.873
  426    H    ARG  66           H        ARG  66   7.155   3.975  -7.453
  427    HA   ARG  66           HA       ARG  66   6.954   1.675  -9.312
  428    HB2  ARG  66           2HB      ARG  66   4.981   3.497  -9.447
  429    HB3  ARG  66           1HB      ARG  66   6.181   4.324 -10.440
  430    HG2  ARG  66           2HG      ARG  66   6.096   2.746 -12.102
  431    HG3  ARG  66           1HG      ARG  66   5.798   1.424 -10.973
  432    HD2  ARG  66           2HD      ARG  66   3.748   1.657 -12.130
  433    HD3  ARG  66           1HD      ARG  66   3.482   2.512 -10.611
  434    HE   ARG  66           HE       ARG  66   3.995   4.633 -11.918
  435   HH11  ARG  66          1HH1      ARG  66   2.071   2.078 -12.980
  436   HH12  ARG  66          2HH1      ARG  66   1.821   2.706 -14.575
  437   HH21  ARG  66          1HH2      ARG  66   4.085   5.304 -14.196
  438   HH22  ARG  66          2HH2      ARG  66   2.961   4.531 -15.263
  439    H    TYR  67           H        TYR  67   8.340   2.005 -11.244
  440    HA   TYR  67           HA       TYR  67  10.356   4.171 -10.948
  441    HB2  TYR  67           2HB      TYR  67  10.967   1.208 -11.134
  442    HB3  TYR  67           1HB      TYR  67  12.171   2.478 -11.361
  443    HD1  TYR  67           1HD      TYR  67  11.388   4.476  -9.356
  444    HD2  TYR  67           2HD      TYR  67  11.486   0.190  -9.076
  445    HE1  TYR  67           1HE      TYR  67  11.679   4.643  -6.900
  446    HE2  TYR  67           2HE      TYR  67  11.777   0.358  -6.619
  447    HH   TYR  67           HH       TYR  67  12.749   2.204  -5.005
  448    H    HIS  68           H        HIS  68   8.104   3.290 -12.852
  449    HA   HIS  68           HA       HIS  68   9.516   4.000 -15.295
  450    HB2  HIS  68           2HB      HIS  68   8.644   1.845 -16.460
  451    HB3  HIS  68           1HB      HIS  68  10.117   1.731 -15.498
  452    HD1  HIS  68           1HD      HIS  68   6.386   1.061 -15.214
  453    HD2  HIS  68           2HD      HIS  68   9.947  -0.024 -13.340
  454    HE1  HIS  68           1HE      HIS  68   5.794  -0.749 -13.544
  Start of MODEL    6
    1    H    GLY   1           1HT      GLY   1   2.567  15.241  11.969
    2    HA2  GLY   1           1HA      GLY   1   0.594  16.488  11.653
    3    HA3  GLY   1           2HA      GLY   1   1.694  16.880  10.332
    4    H    LYS   2           H        LYS   2   1.208  14.125   9.165
    5    HA   LYS   2           HA       LYS   2  -0.777  14.798   7.272
    6    HB2  LYS   2           2HB      LYS   2   0.834  12.493   7.911
    7    HB3  LYS   2           1HB      LYS   2  -0.812  11.980   7.533
    8    HG2  LYS   2           2HG      LYS   2   0.734  12.162   5.530
    9    HG3  LYS   2           1HG      LYS   2  -0.757  13.097   5.405
   10    HD2  LYS   2           2HD      LYS   2   0.372  15.048   5.313
   11    HD3  LYS   2           1HD      LYS   2   1.358  14.618   6.711
   12    HE2  LYS   2           2HE      LYS   2   3.100  14.028   5.405
   13    HE3  LYS   2           1HE      LYS   2   2.070  13.035   4.373
   14    HZ1  LYS   2           3HZ      LYS   2   1.370  15.024   3.206
   15    HZ2  LYS   2           1HZ      LYS   2   3.058  14.871   3.146
   16    HZ3  LYS   2           2HZ      LYS   2   2.344  15.989   4.209
   17    H    GLU   3           H        GLU   3  -3.001  14.337   7.136
   18    HA   GLU   3           HA       GLU   3  -4.248  13.286   9.645
   19    HB2  GLU   3           2HB      GLU   3  -5.139  15.570   7.867
   20    HB3  GLU   3           1HB      GLU   3  -6.181  14.830   9.083
   21    HG2  GLU   3           2HG      GLU   3  -5.197  16.023  10.717
   22    HG3  GLU   3           1HG      GLU   3  -3.609  15.419  10.245
   23    H    CYS   4           H        CYS   4  -3.719  12.675   6.441
   24    HA   CYS   4           HA       CYS   4  -6.236  11.064   6.250
   25    HB2  CYS   4           2HB      CYS   4  -4.792  12.619   4.083
   26    HB3  CYS   4           1HB      CYS   4  -6.027  11.412   3.740
   27    H    ASP   5           H        ASP   5  -5.312   9.128   6.882
   28    HA   ASP   5           HA       ASP   5  -2.727   8.255   5.833
   29    HB2  ASP   5           2HB      ASP   5  -3.720   7.703   8.137
   30    HB3  ASP   5           1HB      ASP   5  -4.740   6.540   7.292
   31    H    CYS   6           H        CYS   6  -5.603   8.483   4.307
   32    HA   CYS   6           HA       CYS   6  -4.936   6.161   2.574
   33    HB2  CYS   6           2HB      CYS   6  -7.251   5.437   2.448
   34    HB3  CYS   6           1HB      CYS   6  -6.756   5.460   4.139
   35    H    SER   7           H        SER   7  -5.825   6.382   0.391
   36    HA   SER   7           HA       SER   7  -6.097   9.245  -0.352
   37    HB2  SER   7           2HB      SER   7  -4.961   6.866  -1.603
   38    HB3  SER   7           1HB      SER   7  -6.026   7.744  -2.697
   39    HG   SER   7           HG       SER   7  -4.582   9.259  -2.809
   40    H    SER   8           H        SER   8  -8.093   6.617   0.268
   41    HA   SER   8           HA       SER   8 -10.153   7.617  -1.654
   42    HB2  SER   8           2HB      SER   8  -9.301   5.062  -1.378
   43    HB3  SER   8           1HB      SER   8 -10.609   5.071  -0.200
   44    HG   SER   8           HG       SER   8 -10.730   5.016  -2.882
   45    HA   PRO   9           HA       PRO   9 -12.032   9.147   2.103
   46    HB2  PRO   9           2HB      PRO   9 -14.070  10.480   0.829
   47    HB3  PRO   9           1HB      PRO   9 -12.424  11.120   0.978
   48    HG2  PRO   9           2HG      PRO   9 -13.779   9.963  -1.411
   49    HG3  PRO   9           1HG      PRO   9 -12.450  11.132  -1.331
   50    HD2  PRO   9           2HD      PRO   9 -12.200   8.367  -1.899
   51    HD3  PRO   9           1HD      PRO   9 -10.872   9.481  -1.506
   52    H    GLU  10           H        GLU  10 -13.324   6.993  -0.229
   53    HA   GLU  10           HA       GLU  10 -15.804   6.563   1.365
   54    HB2  GLU  10           2HB      GLU  10 -15.409   6.641  -1.367
   55    HB3  GLU  10           1HB      GLU  10 -15.410   4.908  -1.035
   56    HG2  GLU  10           2HG      GLU  10 -17.506   5.810   0.518
   57    HG3  GLU  10           1HG      GLU  10 -17.625   6.833  -0.913
   58    H    ASN  11           H        ASN  11 -12.868   5.711   1.868
   59    HA   ASN  11           HA       ASN  11 -13.126   2.772   1.887
   60    HB2  ASN  11           2HB      ASN  11 -10.985   4.276   1.431
   61    HB3  ASN  11           1HB      ASN  11 -10.861   4.238   3.188
   62   HD21  ASN  11          1HD2      ASN  11  -8.985   2.835   3.199
   63   HD22  ASN  11          2HD2      ASN  11  -9.076   1.209   2.723
   64    HA   PRO  12           HA       PRO  12 -14.661   2.922   6.054
   65    HB2  PRO  12           2HB      PRO  12 -14.625   0.205   6.479
   66    HB3  PRO  12           1HB      PRO  12 -15.878   1.032   5.537
   67    HG2  PRO  12           2HG      PRO  12 -13.613  -0.652   4.575
   68    HG3  PRO  12           1HG      PRO  12 -15.182  -0.338   3.813
   69    HD2  PRO  12           2HD      PRO  12 -12.722   0.873   3.107
   70    HD3  PRO  12           1HD      PRO  12 -14.335   1.404   2.587
   71    H    CYS  13           H        CYS  13 -11.773   1.030   5.188
   72    HA   CYS  13           HA       CYS  13 -10.767   0.496   7.756
   73    HB2  CYS  13           2HB      CYS  13  -9.859  -0.071   5.325
   74    HB3  CYS  13           1HB      CYS  13  -8.857   1.356   5.610
   75    H    CYS  14           H        CYS  14 -10.053   3.357   5.712
   76    HA   CYS  14           HA       CYS  14  -8.899   4.687   8.087
   77    HB2  CYS  14           2HB      CYS  14  -8.061   6.340   6.588
   78    HB3  CYS  14           1HB      CYS  14  -7.857   4.803   5.751
   79    H    ASP  15           H        ASP  15 -10.060   6.093   9.308
   80    HA   ASP  15           HA       ASP  15 -12.825   6.457   9.115
   81    HB2  ASP  15           2HB      ASP  15 -11.129   7.165  10.983
   82    HB3  ASP  15           1HB      ASP  15 -11.078   8.695  10.104
   83    H    ALA  16           H        ALA  16 -14.090   7.581   7.693
   84    HA   ALA  16           HA       ALA  16 -12.946   9.023   5.487
   85    HB1  ALA  16           1HB      ALA  16 -15.458   9.864   5.352
   86    HB2  ALA  16           2HB      ALA  16 -15.715   8.594   6.549
   87    HB3  ALA  16           3HB      ALA  16 -15.051   8.193   4.966
   88    H    ALA  17           H        ALA  17 -14.276  10.032   8.604
   89    HA   ALA  17           HA       ALA  17 -14.352  12.845   8.035
   90    HB1  ALA  17           1HB      ALA  17 -13.715  12.202  10.812
   91    HB2  ALA  17           2HB      ALA  17 -15.037  11.216  10.190
   92    HB3  ALA  17           3HB      ALA  17 -15.153  12.976  10.145
   93    H    THR  18           H        THR  18 -11.926  10.924   9.852
   94    HA   THR  18           HA       THR  18  -9.998  13.152   9.440
   95    HB   THR  18           HB       THR  18 -10.324  12.250  11.748
   96    HG1  THR  18           1HG      THR  18  -7.785  11.425  11.362
   97   HG21  THR  18          3HG2      THR  18  -9.151   9.964  12.098
   98   HG22  THR  18          1HG2      THR  18  -9.411   9.731  10.369
   99   HG23  THR  18          2HG2      THR  18 -10.790   9.962  11.446
  100    H    CYS  19           H        CYS  19 -10.889  10.943   7.479
  101    HA   CYS  19           HA       CYS  19  -9.877   9.307   6.070
  102    HB2  CYS  19           2HB      CYS  19  -7.752  10.483   5.016
  103    HB3  CYS  19           1HB      CYS  19  -9.369  11.071   4.672
  104    H    LYS  20           H        LYS  20  -9.070   8.781   8.784
  105    HA   LYS  20           HA       LYS  20  -6.321   7.764   8.206
  106    HB2  LYS  20           2HB      LYS  20  -7.271   9.061  10.771
  107    HB3  LYS  20           1HB      LYS  20  -5.732   8.217  10.594
  108    HG2  LYS  20           2HG      LYS  20  -6.061  10.097   8.432
  109    HG3  LYS  20           1HG      LYS  20  -6.285  10.923   9.975
  110    HD2  LYS  20           2HD      LYS  20  -3.980   9.026   9.598
  111    HD3  LYS  20           1HD      LYS  20  -3.867  10.688   9.019
  112    HE2  LYS  20           2HE      LYS  20  -4.173  11.582  11.203
  113    HE3  LYS  20           1HE      LYS  20  -4.721  10.033  11.842
  114    HZ1  LYS  20           3HZ      LYS  20  -2.363   9.297  10.992
  115    HZ2  LYS  20           1HZ      LYS  20  -2.571   9.993  12.523
  116    HZ3  LYS  20           2HZ      LYS  20  -2.010  10.941  11.230
  117    H    LEU  21           H        LEU  21  -5.807   5.763   9.174
  118    HA   LEU  21           HA       LEU  21  -7.694   3.764   9.281
  119    HB2  LEU  21           2HB      LEU  21  -5.187   4.052  10.955
  120    HB3  LEU  21           1HB      LEU  21  -6.129   2.563  10.863
  121    HG   LEU  21           HG       LEU  21  -5.649   3.581   8.207
  122   HD11  LEU  21          1HD1      LEU  21  -3.658   4.601   9.388
  123   HD12  LEU  21          2HD1      LEU  21  -3.243   3.455   8.113
  124   HD13  LEU  21          3HD1      LEU  21  -3.150   2.964   9.804
  125   HD21  LEU  21          3HD2      LEU  21  -5.707   1.348   7.923
  126   HD22  LEU  21          1HD2      LEU  21  -5.715   1.129   9.673
  127   HD23  LEU  21          2HD2      LEU  21  -4.185   1.196   8.800
  128    H    ARG  22           H        ARG  22  -9.504   3.514  10.516
  129    HA   ARG  22           HA       ARG  22  -9.825   5.058  12.981
  130    HB2  ARG  22           2HB      ARG  22 -11.563   3.883  11.083
  131    HB3  ARG  22           1HB      ARG  22 -11.886   3.076  12.619
  132    HG2  ARG  22           2HG      ARG  22 -11.757   5.579  13.538
  133    HG3  ARG  22           1HG      ARG  22 -12.229   5.950  11.880
  134    HD2  ARG  22           2HD      ARG  22 -14.163   4.442  12.075
  135    HD3  ARG  22           1HD      ARG  22 -13.686   4.033  13.723
  136    HE   ARG  22           HE       ARG  22 -13.958   6.872  13.513
  137   HH11  ARG  22          1HH2      ARG  22 -15.814   3.963  13.365
  138   HH12  ARG  22          2HH2      ARG  22 -17.225   4.676  14.070
  139   HH21  ARG  22          1HH1      ARG  22 -15.772   7.796  14.485
  140   HH22  ARG  22          2HH1      ARG  22 -17.203   6.845  14.702
  141    HA   PRO  23           HA       PRO  23  -9.808   0.703  14.928
  142    HB2  PRO  23           2HB      PRO  23  -9.284  -1.438  13.288
  143    HB3  PRO  23           1HB      PRO  23 -10.915  -0.814  13.591
  144    HG2  PRO  23           2HG      PRO  23  -9.219  -0.529  11.156
  145    HG3  PRO  23           1HG      PRO  23 -10.984  -0.485  11.307
  146    HD2  PRO  23           2HD      PRO  23  -9.276   1.761  11.026
  147    HD3  PRO  23           1HD      PRO  23 -10.995   1.798  11.473
  148    H    GLY  24           H        GLY  24  -7.990  -1.454  14.638
  149    HA2  GLY  24           2HA      GLY  24  -5.425   0.004  14.885
  150    HA3  GLY  24           1HA      GLY  24  -5.722  -1.655  15.407
  151    H    ALA  25           H        ALA  25  -6.548  -0.308  12.242
  152    HA   ALA  25           HA       ALA  25  -5.093  -2.491  10.936
  153    HB1  ALA  25           1HB      ALA  25  -7.020  -2.059   9.737
  154    HB2  ALA  25           2HB      ALA  25  -5.906  -1.010   8.861
  155    HB3  ALA  25           3HB      ALA  25  -6.979  -0.331  10.086
  156    H    GLN  26           H        GLN  26  -3.177  -2.274   9.742
  157    HA   GLN  26           HA       GLN  26  -1.442  -0.076  10.447
  158    HB2  GLN  26           2HB      GLN  26  -1.189  -2.341   8.455
  159    HB3  GLN  26           1HB      GLN  26   0.093  -1.165   8.736
  160    HG2  GLN  26           2HG      GLN  26  -1.056  -2.377  11.180
  161    HG3  GLN  26           1HG      GLN  26  -0.158  -3.487  10.143
  162   HE21  GLN  26          1HE2      GLN  26   1.321  -3.352  12.216
  163   HE22  GLN  26          2HE2      GLN  26   2.519  -2.151  12.196
  164    H    CYS  27           H        CYS  27  -2.872  -1.076   7.313
  165    HA   CYS  27           HA       CYS  27  -2.665   1.787   6.480
  166    HB2  CYS  27           2HB      CYS  27  -1.019   0.902   5.108
  167    HB3  CYS  27           1HB      CYS  27  -1.740  -0.701   5.091
  168    H    GLY  28           H        GLY  28  -4.490   2.620   5.547
  169    HA2  GLY  28           2HA      GLY  28  -6.923   1.002   5.681
  170    HA3  GLY  28           1HA      GLY  28  -6.838   2.710   5.254
  171    H    GLU  29           H        GLU  29  -4.914   2.489   3.170
  172    HA   GLU  29           HA       GLU  29  -6.094   0.610   1.210
  173    HB2  GLU  29           2HB      GLU  29  -7.454   2.681   1.073
  174    HB3  GLU  29           1HB      GLU  29  -5.988   3.608   0.767
  175    HG2  GLU  29           2HG      GLU  29  -5.828   1.559  -1.089
  176    HG3  GLU  29           1HG      GLU  29  -7.550   1.936  -1.061
  177    H    GLY  30           H        GLY  30  -4.622   0.090  -0.461
  178    HA2  GLY  30           2HA      GLY  30  -2.417   1.433  -1.420
  179    HA3  GLY  30           1HA      GLY  30  -1.822   0.737   0.091
  180    H    LEU  31           H        LEU  31  -1.095   0.060  -2.743
  181    HA   LEU  31           HA       LEU  31  -2.256  -2.410  -3.548
  182    HB2  LEU  31           2HB      LEU  31   0.317  -0.999  -4.078
  183    HB3  LEU  31           1HB      LEU  31   0.282  -2.727  -4.413
  184    HG   LEU  31           HG       LEU  31  -1.580  -0.625  -5.544
  185   HD11  LEU  31          1HD1      LEU  31   0.919  -1.734  -6.395
  186   HD12  LEU  31          2HD1      LEU  31  -0.100  -0.569  -7.238
  187   HD13  LEU  31          3HD1      LEU  31  -0.339  -2.298  -7.492
  188   HD21  LEU  31          3HD2      LEU  31  -1.950  -3.472  -5.117
  189   HD22  LEU  31          1HD2      LEU  31  -1.954  -3.097  -6.841
  190   HD23  LEU  31          2HD2      LEU  31  -3.090  -2.290  -5.760
  191    H    CYS  32           H        CYS  32   0.050  -1.638  -1.050
  192    HA   CYS  32           HA       CYS  32   0.540  -4.543  -0.592
  193    HB2  CYS  32           2HB      CYS  32   1.973  -2.361   0.894
  194    HB3  CYS  32           1HB      CYS  32   2.545  -3.970   0.455
  195    H    CYS  33           H        CYS  33  -1.992  -3.355   0.123
  196    HA   CYS  33           HA       CYS  33  -1.800  -3.544   3.104
  197    HB2  CYS  33           2HB      CYS  33  -3.894  -2.011   1.540
  198    HB3  CYS  33           1HB      CYS  33  -3.670  -2.016   3.289
  199    H    GLU  34           H        GLU  34  -2.282  -5.758   3.226
  200    HA   GLU  34           HA       GLU  34  -4.830  -6.653   1.962
  201    HB2  GLU  34           2HB      GLU  34  -2.708  -8.385   3.258
  202    HB3  GLU  34           1HB      GLU  34  -4.014  -8.903   2.191
  203    HG2  GLU  34           2HG      GLU  34  -2.274  -6.826   1.035
  204    HG3  GLU  34           1HG      GLU  34  -1.454  -8.353   1.362
  205    H    GLN  35           H        GLN  35  -6.563  -6.992   3.282
  206    HA   GLN  35           HA       GLN  35  -7.810  -7.190   5.258
  207    HB2  GLN  35           2HB      GLN  35  -6.194  -9.185   5.511
  208    HB3  GLN  35           1HB      GLN  35  -5.272  -8.142   6.594
  209    HG2  GLN  35           2HG      GLN  35  -7.326  -7.797   7.961
  210    HG3  GLN  35           1HG      GLN  35  -8.182  -8.931   6.915
  211   HE21  GLN  35          1HE2      GLN  35  -7.958 -11.146   7.381
  212   HE22  GLN  35          2HE2      GLN  35  -6.872 -11.775   8.524
  213    H    CYS  36           H        CYS  36  -6.227  -4.783   4.573
  214    HA   CYS  36           HA       CYS  36  -5.746  -2.704   5.533
  215    HB2  CYS  36           2HB      CYS  36  -7.439  -3.999   7.654
  216    HB3  CYS  36           1HB      CYS  36  -6.640  -2.467   7.968
  217    H    LYS  37           H        LYS  37  -3.714  -4.618   5.574
  218    HA   LYS  37           HA       LYS  37  -2.265  -3.777   8.022
  219    HB2  LYS  37           2HB      LYS  37  -3.012  -6.540   7.270
  220    HB3  LYS  37           1HB      LYS  37  -1.328  -6.319   7.744
  221    HG2  LYS  37           2HG      LYS  37  -1.867  -5.711   9.904
  222    HG3  LYS  37           1HG      LYS  37  -3.426  -5.030   9.434
  223    HD2  LYS  37           2HD      LYS  37  -4.503  -7.056   9.537
  224    HD3  LYS  37           1HD      LYS  37  -3.070  -7.960   9.046
  225    HE2  LYS  37           2HE      LYS  37  -2.675  -8.461  11.202
  226    HE3  LYS  37           1HE      LYS  37  -2.464  -6.743  11.540
  227    HZ1  LYS  37           3HZ      LYS  37  -5.142  -7.986  11.378
  228    HZ2  LYS  37           1HZ      LYS  37  -4.710  -6.503  12.079
  229    HZ3  LYS  37           2HZ      LYS  37  -4.254  -7.959  12.826
  230    H    PHE  38           H        PHE  38   0.127  -4.152   7.745
  231    HA   PHE  38           HA       PHE  38   0.922  -3.355   5.052
  232    HB2  PHE  38           2HB      PHE  38   2.320  -3.769   7.675
  233    HB3  PHE  38           1HB      PHE  38   3.276  -3.695   6.199
  234    HD1  PHE  38           2HD      PHE  38   2.085  -1.751   4.515
  235    HD2  PHE  38           1HD      PHE  38   2.366  -1.727   8.800
  236    HE1  PHE  38           2HE      PHE  38   1.916   0.723   4.512
  237    HE2  PHE  38           1HE      PHE  38   2.197   0.747   8.797
  238    HZ   PHE  38           HZ       PHE  38   1.971   1.972   6.654
  239    H    SER  39           H        SER  39   1.033  -4.909   3.486
  240    HA   SER  39           HA       SER  39   1.247  -7.705   3.979
  241    HB2  SER  39           2HB      SER  39   2.245  -6.302   1.488
  242    HB3  SER  39           1HB      SER  39   1.625  -7.945   1.620
  243    HG   SER  39           HG       SER  39   0.164  -6.189   0.828
  244    H    ARG  40           H        ARG  40   3.162  -9.096   3.488
  245    HA   ARG  40           HA       ARG  40   5.500  -8.120   4.859
  246    HB2  ARG  40           2HB      ARG  40   5.259 -10.568   3.077
  247    HB3  ARG  40           1HB      ARG  40   6.495 -10.280   4.303
  248    HG2  ARG  40           2HG      ARG  40   4.439 -10.008   5.915
  249    HG3  ARG  40           1HG      ARG  40   3.581 -10.915   4.670
  250    HD2  ARG  40           2HD      ARG  40   6.238 -11.936   5.604
  251    HD3  ARG  40           1HD      ARG  40   4.832 -12.179   6.639
  252    HE   ARG  40           HE       ARG  40   4.925 -13.141   3.806
  253   HH11  ARG  40          1HH2      ARG  40   5.496 -14.557   6.646
  254   HH12  ARG  40          2HH2      ARG  40   4.107 -15.591   6.685
  255   HH21  ARG  40          1HH1      ARG  40   2.512 -13.987   4.056
  256   HH22  ARG  40          2HH1      ARG  40   2.418 -15.269   5.218
  257    H    ALA  41           H        ALA  41   7.740  -8.263   3.761
  258    HA   ALA  41           HA       ALA  41   7.766  -6.431   1.519
  259    HB1  ALA  41           1HB      ALA  41   9.568  -6.900   3.406
  260    HB2  ALA  41           2HB      ALA  41  10.075  -6.378   1.800
  261    HB3  ALA  41           3HB      ALA  41  10.163  -8.083   2.241
  262    H    GLY  42           H        GLY  42   9.170  -7.041  -0.474
  263    HA2  GLY  42           1HA      GLY  42   9.453  -8.413  -2.366
  264    HA3  GLY  42           2HA      GLY  42   9.130  -9.803  -1.340
  265    H    LYS  43           H        LYS  43   6.747  -7.398  -1.032
  266    HA   LYS  43           HA       LYS  43   4.728  -9.146  -2.152
  267    HB2  LYS  43           2HB      LYS  43   3.970  -7.678  -0.437
  268    HB3  LYS  43           1HB      LYS  43   4.691  -6.272  -1.220
  269    HG2  LYS  43           2HG      LYS  43   2.248  -6.310  -1.570
  270    HG3  LYS  43           1HG      LYS  43   3.107  -6.492  -3.096
  271    HD2  LYS  43           2HD      LYS  43   1.767  -8.299  -3.400
  272    HD3  LYS  43           1HD      LYS  43   2.873  -9.102  -2.285
  273    HE2  LYS  43           2HE      LYS  43   1.370  -9.075  -0.569
  274    HE3  LYS  43           1HE      LYS  43   0.740  -7.489  -1.014
  275    HZ1  LYS  43           3HZ      LYS  43   0.215  -9.814  -2.738
  276    HZ2  LYS  43           1HZ      LYS  43  -0.685  -8.388  -2.559
  277    HZ3  LYS  43           2HZ      LYS  43  -0.722  -9.572  -1.342
  278    H    ILE  44           H        ILE  44   4.980  -9.538  -4.324
  279    HA   ILE  44           HA       ILE  44   5.979  -7.709  -6.224
  280    HB   ILE  44           HB       ILE  44   5.807 -10.070  -6.752
  281   HG12  ILE  44          2HG1      ILE  44   4.680  -9.933  -8.961
  282   HG13  ILE  44          1HG1      ILE  44   3.931  -8.413  -8.471
  283   HG21  ILE  44          1HG2      ILE  44   3.737 -11.246  -6.889
  284   HG22  ILE  44          2HG2      ILE  44   2.799  -9.756  -6.815
  285   HG23  ILE  44          3HG2      ILE  44   3.656 -10.329  -5.384
  286   HD11  ILE  44          3HD1      ILE  44   6.912  -8.933  -8.680
  287   HD12  ILE  44          1HD1      ILE  44   6.178  -7.419  -8.152
  288   HD13  ILE  44          2HD1      ILE  44   5.950  -7.979  -9.809
  289    H    CYS  45           H        CYS  45   4.840  -5.694  -5.566
  290    HA   CYS  45           HA       CYS  45   1.980  -5.410  -5.842
  291    HB2  CYS  45           2HB      CYS  45   2.551  -2.939  -5.924
  292    HB3  CYS  45           1HB      CYS  45   3.167  -3.796  -4.510
  293    H    ARG  46           H        ARG  46   4.731  -4.814  -7.993
  294    HA   ARG  46           HA       ARG  46   2.809  -4.763 -10.276
  295    HB2  ARG  46           2HB      ARG  46   5.247  -2.975 -10.125
  296    HB3  ARG  46           1HB      ARG  46   3.931  -2.912 -11.298
  297    HG2  ARG  46           2HG      ARG  46   2.722  -2.713  -8.749
  298    HG3  ARG  46           1HG      ARG  46   4.112  -1.626  -8.722
  299    HD2  ARG  46           2HD      ARG  46   2.133  -1.664 -11.008
  300    HD3  ARG  46           1HD      ARG  46   1.925  -0.627  -9.597
  301    HE   ARG  46           HE       ARG  46   4.517  -0.108 -10.466
  302   HH11  ARG  46          1HH1      ARG  46   1.314   0.741 -11.094
  303   HH12  ARG  46          2HH1      ARG  46   1.658   1.655 -12.524
  304   HH21  ARG  46          1HH2      ARG  46   4.997   0.722 -12.634
  305   HH22  ARG  46          2HH2      ARG  46   3.744   1.644 -13.396
  306    H    ILE  47           H        ILE  47   3.660  -5.683 -12.211
  307    HA   ILE  47           HA       ILE  47   6.135  -7.290 -11.765
  308    HB   ILE  47           HB       ILE  47   3.889  -8.402 -12.340
  309   HG12  ILE  47          2HG1      ILE  47   5.081  -9.840 -14.169
  310   HG13  ILE  47          1HG1      ILE  47   6.471  -8.804 -13.839
  311   HG21  ILE  47          1HG2      ILE  47   4.591  -7.212 -15.041
  312   HG22  ILE  47          2HG2      ILE  47   3.184  -6.797 -14.062
  313   HG23  ILE  47          3HG2      ILE  47   3.331  -8.412 -14.756
  314   HD11  ILE  47          3HD1      ILE  47   5.169  -9.768 -11.397
  315   HD12  ILE  47          1HD1      ILE  47   6.874  -9.805 -11.850
  316   HD13  ILE  47          2HD1      ILE  47   5.786 -11.076 -12.407
  317    H    ALA  48           H        ALA  48   7.776  -7.286 -13.376
  318    HA   ALA  48           HA       ALA  48   7.501  -5.135 -15.436
  319    HB1  ALA  48           1HB      ALA  48  10.153  -5.839 -14.203
  320    HB2  ALA  48           2HB      ALA  48   9.067  -4.723 -13.375
  321    HB3  ALA  48           3HB      ALA  48   9.659  -4.340 -14.992
  322    H    ARG  49           H        ARG  49   7.680  -5.962 -17.452
  323    HA   ARG  49           HA       ARG  49   9.150  -8.543 -17.782
  324    HB2  ARG  49           2HB      ARG  49   7.002  -7.276 -19.510
  325    HB3  ARG  49           1HB      ARG  49   7.811  -8.804 -19.859
  326    HG2  ARG  49           2HG      ARG  49   6.568  -9.937 -18.340
  327    HG3  ARG  49           1HG      ARG  49   6.729  -8.661 -17.133
  328    HD2  ARG  49           2HD      ARG  49   4.697  -7.827 -17.640
  329    HD3  ARG  49           1HD      ARG  49   5.084  -7.784 -19.359
  330    HE   ARG  49           HE       ARG  49   3.602  -9.897 -17.985
  331   HH11  ARG  49          1HH1      ARG  49   2.890  -8.971 -20.708
  332   HH12  ARG  49          2HH1      ARG  49   3.492 -10.247 -21.714
  333   HH21  ARG  49          1HH2      ARG  49   5.549 -11.574 -19.258
  334   HH22  ARG  49          2HH2      ARG  49   4.997 -11.719 -20.893
  335    H    GLY  50           H        GLY  50  11.017  -8.484 -18.950
  336    HA2  GLY  50           2HA      GLY  50  11.778  -7.414 -21.260
  337    HA3  GLY  50           1HA      GLY  50  11.720  -5.936 -20.301
  338    H    ASP  51           H        ASP  51  13.383  -5.526 -18.864
  339    HA   ASP  51           HA       ASP  51  15.303  -7.638 -18.159
  340    HB2  ASP  51           2HB      ASP  51  17.221  -6.599 -19.163
  341    HB3  ASP  51           1HB      ASP  51  16.009  -6.774 -20.432
  342    H    TRP  52           H        TRP  52  13.604  -6.142 -16.552
  343    HA   TRP  52           HA       TRP  52  15.566  -4.457 -15.063
  344    HB2  TRP  52           2HB      TRP  52  13.240  -3.258 -14.369
  345    HB3  TRP  52           1HB      TRP  52  14.235  -2.708 -15.715
  346    HD1  TRP  52           HD       TRP  52  11.685  -5.613 -15.404
  347    HE1  TRP  52           1HE      TRP  52  10.043  -5.447 -17.384
  348    HE3  TRP  52           3HE      TRP  52  13.459  -1.393 -17.672
  349    HZ2  TRP  52           2HZ      TRP  52   9.546  -3.750 -19.629
  350    HZ3  TRP  52           3HZ      TRP  52  12.381  -0.525 -19.727
  351    HH2  TRP  52           HH       TRP  52  10.429  -1.697 -20.709
  352    H    ASN  53           H        ASN  53  14.085  -3.931 -12.814
  353    HA   ASN  53           HA       ASN  53  13.680  -6.676 -11.722
  354    HB2  ASN  53           2HB      ASN  53  14.600  -4.073 -10.572
  355    HB3  ASN  53           1HB      ASN  53  13.751  -5.194  -9.506
  356   HD21  ASN  53          1HD2      ASN  53  15.398  -6.204  -8.316
  357   HD22  ASN  53          2HD2      ASN  53  16.764  -6.940  -9.003
  358    H    ASP  54           H        ASP  54  11.746  -7.204 -10.668
  359    HA   ASP  54           HA       ASP  54   9.394  -5.719 -11.451
  360    HB2  ASP  54           2HB      ASP  54   9.607  -7.875  -9.329
  361    HB3  ASP  54           1HB      ASP  54   8.157  -7.392 -10.211
  362    H    ASP  55           H        ASP  55   7.713  -5.309  -9.506
  363    HA   ASP  55           HA       ASP  55   9.155  -3.522  -7.598
  364    HB2  ASP  55           2HB      ASP  55   6.219  -3.464  -8.346
  365    HB3  ASP  55           1HB      ASP  55   7.118  -2.229  -7.462
  366    H    ARG  56           H        ARG  56   9.257  -4.250  -5.531
  367    HA   ARG  56           HA       ARG  56   7.048  -6.012  -4.562
  368    HB2  ARG  56           2HB      ARG  56   9.845  -6.295  -3.524
  369    HB3  ARG  56           1HB      ARG  56   8.536  -7.474  -3.560
  370    HG2  ARG  56           2HG      ARG  56   9.037  -6.775  -6.254
  371    HG3  ARG  56           1HG      ARG  56  10.611  -7.049  -5.507
  372    HD2  ARG  56           2HD      ARG  56   9.901  -9.233  -4.702
  373    HD3  ARG  56           1HD      ARG  56   8.264  -8.954  -5.299
  374    HE   ARG  56           HE       ARG  56  10.452  -8.873  -7.295
  375   HH11  ARG  56          1HH2      ARG  56   8.187 -10.816  -5.601
  376   HH12  ARG  56          2HH2      ARG  56   7.807 -11.812  -6.966
  377   HH21  ARG  56          1HH1      ARG  56   9.816 -10.030  -9.160
  378   HH22  ARG  56          2HH1      ARG  56   8.731 -11.368  -8.981
  379    H    CYS  57           H        CYS  57   6.039  -5.169  -2.824
  380    HA   CYS  57           HA       CYS  57   6.775  -2.702  -1.638
  381    HB2  CYS  57           2HB      CYS  57   5.233  -4.859  -0.188
  382    HB3  CYS  57           1HB      CYS  57   5.088  -3.113  -0.005
  383    H    THR  58           H        THR  58   7.897  -2.205   0.259
  384    HA   THR  58           HA       THR  58  10.045  -3.976   0.995
  385    HB   THR  58           HB       THR  58  10.717  -2.251   2.514
  386    HG1  THR  58           1HG      THR  58   8.947  -1.763   3.648
  387   HG21  THR  58          3HG2      THR  58  10.407  -1.780  -0.108
  388   HG22  THR  58          1HG2      THR  58  11.022  -0.551   0.998
  389   HG23  THR  58          2HG2      THR  58   9.325  -0.535   0.517
  390    H    GLY  59           H        GLY  59   6.811  -3.992   1.842
  391    HA2  GLY  59           2HA      GLY  59   5.946  -5.751   3.282
  392    HA3  GLY  59           1HA      GLY  59   7.430  -5.657   4.232
  393    H    GLN  60           H        GLN  60   7.692  -3.050   4.858
  394    HA   GLN  60           HA       GLN  60   5.382  -2.596   6.628
  395    HB2  GLN  60           2HB      GLN  60   7.879  -0.901   6.363
  396    HB3  GLN  60           1HB      GLN  60   6.764  -0.965   7.728
  397    HG2  GLN  60           2HG      GLN  60   8.409  -3.326   6.772
  398    HG3  GLN  60           1HG      GLN  60   8.879  -2.268   8.103
  399   HE21  GLN  60          1HE2      GLN  60   8.673  -4.562   9.223
  400   HE22  GLN  60          2HE2      GLN  60   7.151  -4.920   9.886
  401    H    SER  61           H        SER  61   6.178  -1.769   3.490
  402    HA   SER  61           HA       SER  61   5.001   0.950   3.625
  403    HB2  SER  61           2HB      SER  61   6.919   0.685   2.158
  404    HB3  SER  61           1HB      SER  61   6.146  -0.662   1.327
  405    HG   SER  61           HG       SER  61   4.733   0.708   0.402
  406    H    ALA  62           H        ALA  62   3.084   1.497   2.403
  407    HA   ALA  62           HA       ALA  62   1.302  -0.860   1.948
  408    HB1  ALA  62           1HB      ALA  62   0.055   0.305   3.469
  409    HB2  ALA  62           2HB      ALA  62  -0.408   1.252   2.056
  410    HB3  ALA  62           3HB      ALA  62   0.873   1.828   3.122
  411    H    ASP  63           H        ASP  63   2.529   2.135   0.564
  412    HA   ASP  63           HA       ASP  63   0.933   1.651  -1.902
  413    HB2  ASP  63           2HB      ASP  63   2.542   4.012  -0.909
  414    HB3  ASP  63           1HB      ASP  63   1.940   3.913  -2.564
  415    H    CYS  64           H        CYS  64   1.901   0.815  -3.701
  416    HA   CYS  64           HA       CYS  64   4.753   0.107  -3.551
  417    HB2  CYS  64           2HB      CYS  64   3.237  -1.570  -4.448
  418    HB3  CYS  64           1HB      CYS  64   2.628  -0.430  -5.648
  419    HA   PRO  65           HA       PRO  65   6.010   3.640  -5.805
  420    HB2  PRO  65           2HB      PRO  65   8.602   2.822  -6.106
  421    HB3  PRO  65           1HB      PRO  65   7.975   3.510  -4.609
  422    HG2  PRO  65           2HG      PRO  65   8.684   0.696  -5.252
  423    HG3  PRO  65           1HG      PRO  65   8.605   1.500  -3.676
  424    HD2  PRO  65           2HD      PRO  65   6.655  -0.245  -4.765
  425    HD3  PRO  65           1HD      PRO  65   6.469   0.782  -3.327
  426    H    ARG  66           H        ARG  66   7.494   3.916  -7.919
  427    HA   ARG  66           HA       ARG  66   7.068   1.653  -9.798
  428    HB2  ARG  66           2HB      ARG  66   6.091   3.176 -11.481
  429    HB3  ARG  66           1HB      ARG  66   5.087   3.101 -10.031
  430    HG2  ARG  66           2HG      ARG  66   6.921   5.148  -9.504
  431    HG3  ARG  66           1HG      ARG  66   6.467   5.384 -11.193
  432    HD2  ARG  66           2HD      ARG  66   4.051   5.185 -10.484
  433    HD3  ARG  66           1HD      ARG  66   4.606   5.202  -8.810
  434    HE   ARG  66           HE       ARG  66   5.135   7.469 -10.690
  435   HH11  ARG  66          1HH2      ARG  66   2.778   7.042  -8.594
  436   HH12  ARG  66          2HH2      ARG  66   3.297   8.165  -7.382
  437   HH21  ARG  66          1HH1      ARG  66   6.476   8.538  -8.711
  438   HH22  ARG  66          2HH1      ARG  66   5.390   9.013  -7.449
  439    H    TYR  67           H        TYR  67   8.929   1.340 -10.910
  440    HA   TYR  67           HA       TYR  67  10.857   3.612 -11.075
  441    HB2  TYR  67           2HB      TYR  67  11.626   0.799 -11.757
  442    HB3  TYR  67           1HB      TYR  67  12.592   2.074 -11.014
  443    HD1  TYR  67           2HD      TYR  67  11.351   2.976  -8.700
  444    HD2  TYR  67           1HD      TYR  67  11.178  -0.989 -10.345
  445    HE1  TYR  67           2HE      TYR  67  10.825   2.067  -6.454
  446    HE2  TYR  67           1HE      TYR  67  10.652  -1.898  -8.097
  447    HH   TYR  67           HH       TYR  67  11.068  -0.144  -5.265
  448    H    HIS  68           H        HIS  68   8.565   2.044 -12.917
  449    HA   HIS  68           HA       HIS  68   9.601   3.225 -15.380
  450    HB2  HIS  68           2HB      HIS  68  10.536   0.715 -14.898
  451    HB3  HIS  68           1HB      HIS  68   9.034   0.340 -15.743
  452    HD1  HIS  68           1HD      HIS  68  12.188   2.415 -16.195
  453    HD2  HIS  68           2HD      HIS  68   9.135   0.747 -18.493
  454    HE1  HIS  68           1HE      HIS  68  12.835   2.778 -18.618
  Start of MODEL    7
    1    H    GLY   1           1HT      GLY   1   1.203  17.883   3.224
    2    HA2  GLY   1           1HA      GLY   1   2.398  16.441   4.378
    3    HA3  GLY   1           2HA      GLY   1   1.400  16.742   5.802
    4    H    LYS   2           H        LYS   2   1.342  14.498   6.363
    5    HA   LYS   2           HA       LYS   2  -0.192  12.784   4.451
    6    HB2  LYS   2           2HB      LYS   2   0.801  10.926   6.028
    7    HB3  LYS   2           1HB      LYS   2   1.817  11.637   4.774
    8    HG2  LYS   2           2HG      LYS   2   2.874  13.109   6.348
    9    HG3  LYS   2           1HG      LYS   2   1.710  12.698   7.607
   10    HD2  LYS   2           2HD      LYS   2   3.451  10.584   6.342
   11    HD3  LYS   2           1HD      LYS   2   4.024  11.547   7.705
   12    HE2  LYS   2           2HE      LYS   2   1.318  10.308   7.936
   13    HE3  LYS   2           1HE      LYS   2   2.717   9.242   8.070
   14    HZ1  LYS   2           3HZ      LYS   2   1.875  10.301  10.192
   15    HZ2  LYS   2           1HZ      LYS   2   2.512  11.761   9.608
   16    HZ3  LYS   2           2HZ      LYS   2   3.540  10.437   9.885
   17    H    GLU   3           H        GLU   3  -1.941  14.256   5.675
   18    HA   GLU   3           HA       GLU   3  -2.713  12.893   8.215
   19    HB2  GLU   3           2HB      GLU   3  -4.326  14.844   8.418
   20    HB3  GLU   3           1HB      GLU   3  -2.619  15.282   8.484
   21    HG2  GLU   3           2HG      GLU   3  -2.648  16.276   6.397
   22    HG3  GLU   3           1HG      GLU   3  -3.949  15.242   5.808
   23    H    CYS   4           H        CYS   4  -3.221  12.437   5.053
   24    HA   CYS   4           HA       CYS   4  -5.969  11.407   5.543
   25    HB2  CYS   4           2HB      CYS   4  -5.062  13.140   3.244
   26    HB3  CYS   4           1HB      CYS   4  -6.457  12.081   3.097
   27    H    ASP   5           H        ASP   5  -4.788   9.391   5.782
   28    HA   ASP   5           HA       ASP   5  -3.200   8.304   3.616
   29    HB2  ASP   5           2HB      ASP   5  -3.751   7.581   6.266
   30    HB3  ASP   5           1HB      ASP   5  -4.481   6.297   5.301
   31    H    CYS   6           H        CYS   6  -6.587   8.481   4.345
   32    HA   CYS   6           HA       CYS   6  -7.247   6.415   2.324
   33    HB2  CYS   6           2HB      CYS   6  -8.422   7.024   4.687
   34    HB3  CYS   6           1HB      CYS   6  -9.405   7.995   3.596
   35    H    SER   7           H        SER   7  -8.743   6.927   0.583
   36    HA   SER   7           HA       SER   7  -8.533   9.780  -0.291
   37    HB2  SER   7           2HB      SER   7  -7.351   8.558  -1.914
   38    HB3  SER   7           1HB      SER   7  -8.438   7.176  -1.802
   39    HG   SER   7           HG       SER   7  -9.369   8.068  -3.462
   40    H    SER   8           H        SER   8 -10.626   7.193   0.551
   41    HA   SER   8           HA       SER   8 -12.954   8.783  -0.448
   42    HB2  SER   8           2HB      SER   8 -12.736   5.771  -0.177
   43    HB3  SER   8           1HB      SER   8 -14.182   6.646  -0.672
   44    HG   SER   8           HG       SER   8 -13.148   7.296  -2.510
   45    HA   PRO   9           HA       PRO   9 -14.027   8.856   3.840
   46    HB2  PRO   9           2HB      PRO   9 -16.545   9.908   3.519
   47    HB3  PRO   9           1HB      PRO   9 -15.060  10.866   3.393
   48    HG2  PRO   9           2HG      PRO   9 -16.872   9.919   1.223
   49    HG3  PRO   9           1HG      PRO   9 -15.792  11.323   1.250
   50    HD2  PRO   9           2HD      PRO   9 -15.280   8.853  -0.043
   51    HD3  PRO   9           1HD      PRO   9 -14.098  10.145   0.259
   52    H    GLU  10           H        GLU  10 -15.872   7.130   1.424
   53    HA   GLU  10           HA       GLU  10 -17.723   5.907   3.318
   54    HB2  GLU  10           2HB      GLU  10 -18.032   6.247   0.760
   55    HB3  GLU  10           1HB      GLU  10 -17.062   4.782   0.601
   56    HG2  GLU  10           2HG      GLU  10 -18.941   4.195   2.604
   57    HG3  GLU  10           1HG      GLU  10 -19.850   5.050   1.357
   58    H    ASN  11           H        ASN  11 -14.475   5.539   2.939
   59    HA   ASN  11           HA       ASN  11 -14.437   2.602   3.248
   60    HB2  ASN  11           2HB      ASN  11 -12.723   3.570   1.828
   61    HB3  ASN  11           1HB      ASN  11 -12.228   4.669   3.113
   62   HD21  ASN  11          1HD2      ASN  11 -10.148   3.221   2.304
   63   HD22  ASN  11          2HD2      ASN  11  -9.820   1.905   3.322
   64    HA   PRO  12           HA       PRO  12 -14.557   3.295   7.669
   65    HB2  PRO  12           2HB      PRO  12 -14.748   0.633   8.320
   66    HB3  PRO  12           1HB      PRO  12 -16.123   1.612   7.778
   67    HG2  PRO  12           2HG      PRO  12 -14.588  -0.460   6.279
   68    HG3  PRO  12           1HG      PRO  12 -16.266   0.066   6.067
   69    HD2  PRO  12           2HD      PRO  12 -14.073   0.830   4.451
   70    HD3  PRO  12           1HD      PRO  12 -15.677   1.595   4.465
   71    H    CYS  13           H        CYS  13 -12.442   0.857   6.140
   72    HA   CYS  13           HA       CYS  13 -10.728   0.287   8.280
   73    HB2  CYS  13           2HB      CYS  13 -10.448   0.326   5.326
   74    HB3  CYS  13           1HB      CYS  13  -8.941   0.353   6.243
   75    H    CYS  14           H        CYS  14 -11.115   3.273   6.582
   76    HA   CYS  14           HA       CYS  14  -8.707   4.327   8.002
   77    HB2  CYS  14           2HB      CYS  14  -8.914   6.183   6.210
   78    HB3  CYS  14           1HB      CYS  14  -8.243   4.628   5.722
   79    H    ASP  15           H        ASP  15  -8.934   6.267   9.139
   80    HA   ASP  15           HA       ASP  15 -11.605   6.855  10.119
   81    HB2  ASP  15           2HB      ASP  15  -9.312   7.091  11.344
   82    HB3  ASP  15           1HB      ASP  15  -9.218   8.647  10.516
   83    H    ALA  16           H        ALA  16 -13.031   8.225   9.164
   84    HA   ALA  16           HA       ALA  16 -12.412   9.672   6.768
   85    HB1  ALA  16           1HB      ALA  16 -14.717  10.063   8.703
   86    HB2  ALA  16           2HB      ALA  16 -14.705   8.947   7.338
   87    HB3  ALA  16           3HB      ALA  16 -14.644  10.687   7.056
   88    H    ALA  17           H        ALA  17 -12.728  10.695  10.166
   89    HA   ALA  17           HA       ALA  17 -12.396  13.485   9.747
   90    HB1  ALA  17           1HB      ALA  17 -12.456  11.693  11.977
   91    HB2  ALA  17           2HB      ALA  17 -12.653  13.446  11.983
   92    HB3  ALA  17           3HB      ALA  17 -11.047  12.738  12.152
   93    H    THR  18           H        THR  18  -9.868  11.195  10.856
   94    HA   THR  18           HA       THR  18  -7.788  13.064   9.946
   95    HB   THR  18           HB       THR  18  -6.230  11.561  10.985
   96    HG1  THR  18           1HG      THR  18  -8.104   9.647  11.639
   97   HG21  THR  18          3HG2      THR  18  -6.944  12.254  12.997
   98   HG22  THR  18          1HG2      THR  18  -8.138  10.957  13.024
   99   HG23  THR  18          2HG2      THR  18  -8.554  12.524  12.330
  100    H    CYS  19           H        CYS  19  -9.728  11.184   8.244
  101    HA   CYS  19           HA       CYS  19  -9.523   9.782   6.345
  102    HB2  CYS  19           2HB      CYS  19  -7.663  10.998   4.784
  103    HB3  CYS  19           1HB      CYS  19  -9.314  11.565   4.949
  104    H    LYS  20           H        LYS  20  -7.674   9.023   8.562
  105    HA   LYS  20           HA       LYS  20  -5.499   7.861   6.862
  106    HB2  LYS  20           2HB      LYS  20  -5.487   8.786   9.732
  107    HB3  LYS  20           1HB      LYS  20  -4.310   7.606   9.154
  108    HG2  LYS  20           2HG      LYS  20  -3.724   9.234   7.304
  109    HG3  LYS  20           1HG      LYS  20  -4.727  10.425   8.129
  110    HD2  LYS  20           2HD      LYS  20  -2.747   9.010   9.823
  111    HD3  LYS  20           1HD      LYS  20  -2.083  10.126   8.628
  112    HE2  LYS  20           2HE      LYS  20  -4.010  11.711   9.554
  113    HE3  LYS  20           1HE      LYS  20  -3.837  10.693  10.984
  114    HZ1  LYS  20           3HZ      LYS  20  -1.352  11.594   9.804
  115    HZ2  LYS  20           1HZ      LYS  20  -1.817  11.518  11.433
  116    HZ3  LYS  20           2HZ      LYS  20  -2.313  12.826  10.469
  117    H    LEU  21           H        LEU  21  -5.595   6.568  10.009
  118    HA   LEU  21           HA       LEU  21  -7.157   4.229   9.000
  119    HB2  LEU  21           2HB      LEU  21  -4.533   4.409  10.405
  120    HB3  LEU  21           1HB      LEU  21  -5.594   3.070  10.844
  121    HG   LEU  21           HG       LEU  21  -5.663   3.289   8.012
  122   HD11  LEU  21          1HD1      LEU  21  -3.631   4.317   7.681
  123   HD12  LEU  21          2HD1      LEU  21  -3.056   2.661   7.881
  124   HD13  LEU  21          3HD1      LEU  21  -2.990   3.787   9.237
  125   HD21  LEU  21          3HD2      LEU  21  -5.407   1.347  10.021
  126   HD22  LEU  21          1HD2      LEU  21  -3.956   1.168   9.035
  127   HD23  LEU  21          2HD2      LEU  21  -5.549   1.050   8.289
  128    H    ARG  22           H        ARG  22  -9.027   4.016  10.128
  129    HA   ARG  22           HA       ARG  22  -9.242   5.287  12.778
  130    HB2  ARG  22           2HB      ARG  22 -11.149   5.750  11.546
  131    HB3  ARG  22           1HB      ARG  22 -11.198   4.160  10.805
  132    HG2  ARG  22           2HG      ARG  22 -12.578   3.395  12.424
  133    HG3  ARG  22           1HG      ARG  22 -11.482   3.948  13.689
  134    HD2  ARG  22           2HD      ARG  22 -12.687   5.815  14.074
  135    HD3  ARG  22           1HD      ARG  22 -12.880   6.146  12.353
  136    HE   ARG  22           HE       ARG  22 -14.569   4.089  13.715
  137   HH11  ARG  22          1HH2      ARG  22 -14.161   5.839  10.910
  138   HH12  ARG  22          2HH2      ARG  22 -15.787   6.430  10.817
  139   HH21  ARG  22          1HH1      ARG  22 -16.655   5.306  13.982
  140   HH22  ARG  22          2HH1      ARG  22 -17.200   6.128  12.558
  141    HA   PRO  23           HA       PRO  23 -10.188   0.805  14.110
  142    HB2  PRO  23           2HB      PRO  23  -9.914  -1.189  12.233
  143    HB3  PRO  23           1HB      PRO  23 -11.440  -0.347  12.560
  144    HG2  PRO  23           2HG      PRO  23  -9.552   0.000  10.265
  145    HG3  PRO  23           1HG      PRO  23 -11.311   0.214  10.315
  146    HD2  PRO  23           2HD      PRO  23  -9.452   2.301  10.373
  147    HD3  PRO  23           1HD      PRO  23 -11.139   2.422  10.906
  148    H    GLY  24           H        GLY  24  -8.747  -1.259  14.438
  149    HA2  GLY  24           2HA      GLY  24  -5.979  -0.366  14.545
  150    HA3  GLY  24           1HA      GLY  24  -6.584  -1.923  15.109
  151    H    ALA  25           H        ALA  25  -6.154  -0.186  12.001
  152    HA   ALA  25           HA       ALA  25  -5.227  -2.787  10.845
  153    HB1  ALA  25           1HB      ALA  25  -7.363  -1.301   9.990
  154    HB2  ALA  25           2HB      ALA  25  -6.437  -2.389   8.956
  155    HB3  ALA  25           3HB      ALA  25  -6.072  -0.664   8.972
  156    H    GLN  26           H        GLN  26  -3.495  -2.579   9.212
  157    HA   GLN  26           HA       GLN  26  -1.546  -0.534  10.025
  158    HB2  GLN  26           2HB      GLN  26  -1.489  -3.124   8.666
  159    HB3  GLN  26           1HB      GLN  26  -0.446  -1.930   7.890
  160    HG2  GLN  26           2HG      GLN  26   1.063  -2.445   9.494
  161    HG3  GLN  26           1HG      GLN  26   0.036  -1.510  10.578
  162   HE21  GLN  26          1HE2      GLN  26   1.574  -3.739  11.531
  163   HE22  GLN  26          2HE2      GLN  26   0.497  -4.968  11.994
  164    H    CYS  27           H        CYS  27  -3.428  -1.386   7.143
  165    HA   CYS  27           HA       CYS  27  -2.952   1.362   6.133
  166    HB2  CYS  27           2HB      CYS  27  -1.444   0.507   4.651
  167    HB3  CYS  27           1HB      CYS  27  -1.981  -1.145   4.905
  168    H    GLY  28           H        GLY  28  -4.725   2.164   4.930
  169    HA2  GLY  28           2HA      GLY  28  -7.215   0.618   5.255
  170    HA3  GLY  28           1HA      GLY  28  -7.111   2.313   4.794
  171    H    GLU  29           H        GLU  29  -5.156   1.980   2.766
  172    HA   GLU  29           HA       GLU  29  -6.341   0.087   0.838
  173    HB2  GLU  29           2HB      GLU  29  -6.751   1.845  -0.794
  174    HB3  GLU  29           1HB      GLU  29  -7.669   2.174   0.665
  175    HG2  GLU  29           2HG      GLU  29  -6.626   4.146   0.921
  176    HG3  GLU  29           1HG      GLU  29  -5.057   3.339   0.918
  177    H    GLY  30           H        GLY  30  -4.893  -0.336  -0.946
  178    HA2  GLY  30           2HA      GLY  30  -2.632   0.981  -1.770
  179    HA3  GLY  30           1HA      GLY  30  -2.086   0.184  -0.295
  180    H    LEU  31           H        LEU  31  -0.899  -0.538  -2.668
  181    HA   LEU  31           HA       LEU  31  -2.177  -2.753  -3.992
  182    HB2  LEU  31           2HB      LEU  31   0.584  -1.616  -3.876
  183    HB3  LEU  31           1HB      LEU  31   0.409  -3.272  -4.456
  184    HG   LEU  31           HG       LEU  31  -0.971  -0.814  -5.565
  185   HD11  LEU  31          1HD1      LEU  31   1.511  -2.131  -6.145
  186   HD12  LEU  31          2HD1      LEU  31   0.803  -0.726  -6.943
  187   HD13  LEU  31          3HD1      LEU  31   0.420  -2.351  -7.513
  188   HD21  LEU  31          3HD2      LEU  31  -2.601  -2.435  -5.897
  189   HD22  LEU  31          1HD2      LEU  31  -1.428  -3.751  -5.932
  190   HD23  LEU  31          2HD2      LEU  31  -1.607  -2.695  -7.332
  191    H    CYS  32           H        CYS  32   0.267  -2.576  -1.397
  192    HA   CYS  32           HA       CYS  32  -0.071  -5.488  -0.947
  193    HB2  CYS  32           2HB      CYS  32   1.887  -3.533   0.291
  194    HB3  CYS  32           1HB      CYS  32   1.901  -5.285   0.501
  195    H    CYS  33           H        CYS  33  -2.371  -4.437  -0.242
  196    HA   CYS  33           HA       CYS  33  -2.208  -4.215   2.730
  197    HB2  CYS  33           2HB      CYS  33  -4.004  -2.676   0.840
  198    HB3  CYS  33           1HB      CYS  33  -4.234  -2.723   2.587
  199    H    GLU  34           H        GLU  34  -2.712  -6.445   2.968
  200    HA   GLU  34           HA       GLU  34  -5.264  -7.394   1.783
  201    HB2  GLU  34           2HB      GLU  34  -3.145  -8.868   3.384
  202    HB3  GLU  34           1HB      GLU  34  -4.568  -9.610   2.651
  203    HG2  GLU  34           2HG      GLU  34  -3.639  -8.418   0.463
  204    HG3  GLU  34           1HG      GLU  34  -2.109  -8.527   1.337
  205    H    GLN  35           H        GLN  35  -7.045  -6.978   2.996
  206    HA   GLN  35           HA       GLN  35  -8.438  -6.908   4.888
  207    HB2  GLN  35           2HB      GLN  35  -7.094  -9.007   5.530
  208    HB3  GLN  35           1HB      GLN  35  -6.104  -7.931   6.516
  209    HG2  GLN  35           2HG      GLN  35  -7.803  -7.507   8.015
  210    HG3  GLN  35           1HG      GLN  35  -9.069  -7.727   6.806
  211   HE21  GLN  35          1HE2      GLN  35  -6.877  -9.468   9.000
  212   HE22  GLN  35          2HE2      GLN  35  -7.692 -10.954   8.907
  213    H    CYS  36           H        CYS  36  -6.600  -4.775   4.007
  214    HA   CYS  36           HA       CYS  36  -6.031  -2.619   4.714
  215    HB2  CYS  36           2HB      CYS  36  -7.547  -3.441   7.211
  216    HB3  CYS  36           1HB      CYS  36  -7.056  -1.793   6.805
  217    H    LYS  37           H        LYS  37  -4.433  -5.120   5.402
  218    HA   LYS  37           HA       LYS  37  -2.803  -3.907   7.600
  219    HB2  LYS  37           2HB      LYS  37  -3.795  -6.620   7.201
  220    HB3  LYS  37           1HB      LYS  37  -2.039  -6.589   7.361
  221    HG2  LYS  37           2HG      LYS  37  -2.134  -6.017   9.551
  222    HG3  LYS  37           1HG      LYS  37  -3.417  -4.838   9.275
  223    HD2  LYS  37           2HD      LYS  37  -4.831  -6.301  10.251
  224    HD3  LYS  37           1HD      LYS  37  -4.640  -7.311   8.817
  225    HE2  LYS  37           2HE      LYS  37  -2.849  -7.416  11.264
  226    HE3  LYS  37           1HE      LYS  37  -4.141  -8.564  10.906
  227    HZ1  LYS  37           3HZ      LYS  37  -1.667  -8.997  10.171
  228    HZ2  LYS  37           1HZ      LYS  37  -2.141  -8.070   8.832
  229    HZ3  LYS  37           2HZ      LYS  37  -2.979  -9.497   9.215
  230    H    PHE  38           H        PHE  38  -0.418  -4.320   7.343
  231    HA   PHE  38           HA       PHE  38   0.376  -3.821   4.580
  232    HB2  PHE  38           2HB      PHE  38   1.930  -4.158   7.153
  233    HB3  PHE  38           1HB      PHE  38   2.721  -3.915   5.598
  234    HD1  PHE  38           1HD      PHE  38   0.747  -2.035   4.315
  235    HD2  PHE  38           2HD      PHE  38   2.409  -2.125   8.275
  236    HE1  PHE  38           1HE      PHE  38   0.396   0.408   4.521
  237    HE2  PHE  38           2HE      PHE  38   2.050   0.319   8.481
  238    HZ   PHE  38           HZ       PHE  38   1.043   1.586   6.603
  239    H    SER  39           H        SER  39   0.862  -5.376   3.121
  240    HA   SER  39           HA       SER  39   0.770  -8.161   3.721
  241    HB2  SER  39           2HB      SER  39   2.292  -6.977   1.395
  242    HB3  SER  39           1HB      SER  39   1.445  -8.520   1.468
  243    HG   SER  39           HG       SER  39  -0.139  -7.403   0.646
  244    H    ARG  40           H        ARG  40   3.200  -9.031   2.340
  245    HA   ARG  40           HA       ARG  40   5.114  -8.591   4.587
  246    HB2  ARG  40           2HB      ARG  40   4.532 -10.878   2.755
  247    HB3  ARG  40           1HB      ARG  40   6.200 -10.672   3.289
  248    HG2  ARG  40           2HG      ARG  40   4.843 -10.308   5.637
  249    HG3  ARG  40           1HG      ARG  40   3.822 -11.497   4.828
  250    HD2  ARG  40           2HD      ARG  40   6.658 -12.118   4.538
  251    HD3  ARG  40           1HD      ARG  40   6.169 -12.041   6.230
  252    HE   ARG  40           HE       ARG  40   4.995 -14.047   5.886
  253   HH11  ARG  40          1HH1      ARG  40   6.512 -13.372   3.020
  254   HH12  ARG  40          2HH1      ARG  40   5.356 -14.156   1.995
  255   HH21  ARG  40          1HH2      ARG  40   3.036 -14.634   4.528
  256   HH22  ARG  40          2HH2      ARG  40   3.389 -14.871   2.848
  257    H    ALA  41           H        ALA  41   7.410  -8.342   4.004
  258    HA   ALA  41           HA       ALA  41   7.775  -6.505   1.795
  259    HB1  ALA  41           1HB      ALA  41   9.132  -6.883   4.090
  260    HB2  ALA  41           2HB      ALA  41   9.875  -6.145   2.672
  261    HB3  ALA  41           3HB      ALA  41  10.139  -7.854   3.015
  262    H    GLY  42           H        GLY  42   9.440  -6.914   0.061
  263    HA2  GLY  42           2HA      GLY  42  10.288  -8.241  -1.691
  264    HA3  GLY  42           1HA      GLY  42  10.107  -9.644  -0.636
  265    H    LYS  43           H        LYS  43   7.323  -7.661  -0.975
  266    HA   LYS  43           HA       LYS  43   5.958  -9.844  -2.433
  267    HB2  LYS  43           2HB      LYS  43   4.628  -9.117  -0.651
  268    HB3  LYS  43           1HB      LYS  43   5.071  -7.428  -0.878
  269    HG2  LYS  43           2HG      LYS  43   2.757  -7.788  -1.608
  270    HG3  LYS  43           1HG      LYS  43   3.770  -7.393  -2.996
  271    HD2  LYS  43           2HD      LYS  43   3.496  -9.441  -3.936
  272    HD3  LYS  43           1HD      LYS  43   3.627 -10.273  -2.387
  273    HE2  LYS  43           2HE      LYS  43   1.341 -10.388  -3.540
  274    HE3  LYS  43           1HE      LYS  43   1.340  -9.858  -1.857
  275    HZ1  LYS  43           3HZ      LYS  43   1.726  -7.663  -3.615
  276    HZ2  LYS  43           1HZ      LYS  43   0.523  -7.899  -2.444
  277    HZ3  LYS  43           2HZ      LYS  43   0.305  -8.503  -4.016
  278    H    ILE  44           H        ILE  44   5.949  -9.776  -4.609
  279    HA   ILE  44           HA       ILE  44   6.737  -7.580  -6.209
  280    HB   ILE  44           HB       ILE  44   6.663  -9.873  -7.067
  281   HG12  ILE  44          2HG1      ILE  44   5.715  -9.400  -9.242
  282   HG13  ILE  44          1HG1      ILE  44   4.659  -8.159  -8.564
  283   HG21  ILE  44          1HG2      ILE  44   3.947  -9.703  -6.044
  284   HG22  ILE  44          2HG2      ILE  44   4.880 -11.131  -6.492
  285   HG23  ILE  44          3HG2      ILE  44   3.960 -10.257  -7.719
  286   HD11  ILE  44          3HD1      ILE  44   6.321  -6.606  -8.500
  287   HD12  ILE  44          1HD1      ILE  44   7.102  -7.649  -9.688
  288   HD13  ILE  44          2HD1      ILE  44   7.528  -7.782  -7.981
  289    H    CYS  45           H        CYS  45   5.546  -5.760  -5.262
  290    HA   CYS  45           HA       CYS  45   2.680  -5.599  -5.259
  291    HB2  CYS  45           2HB      CYS  45   3.147  -3.076  -5.284
  292    HB3  CYS  45           1HB      CYS  45   3.852  -3.986  -3.949
  293    H    ARG  46           H        ARG  46   5.045  -5.352  -7.775
  294    HA   ARG  46           HA       ARG  46   2.931  -5.124  -9.784
  295    HB2  ARG  46           2HB      ARG  46   3.604  -2.727  -8.950
  296    HB3  ARG  46           1HB      ARG  46   5.054  -2.997  -9.917
  297    HG2  ARG  46           2HG      ARG  46   3.179  -3.797 -11.691
  298    HG3  ARG  46           1HG      ARG  46   2.244  -2.602 -10.793
  299    HD2  ARG  46           2HD      ARG  46   4.875  -1.555 -11.295
  300    HD3  ARG  46           1HD      ARG  46   4.174  -2.117 -12.813
  301    HE   ARG  46           HE       ARG  46   2.381  -0.517 -12.531
  302   HH11  ARG  46          1HH2      ARG  46   5.155   0.688 -11.448
  303   HH12  ARG  46          2HH2      ARG  46   4.515   1.692 -10.190
  304   HH21  ARG  46          1HH1      ARG  46   1.358   0.261 -10.293
  305   HH22  ARG  46          2HH1      ARG  46   2.364   1.451  -9.536
  306    H    ILE  47           H        ILE  47   3.577  -6.543 -11.333
  307    HA   ILE  47           HA       ILE  47   6.321  -7.491 -11.451
  308    HB   ILE  47           HB       ILE  47   4.290  -8.893 -11.986
  309   HG12  ILE  47          2HG1      ILE  47   5.423  -9.628 -14.325
  310   HG13  ILE  47          1HG1      ILE  47   6.714  -8.607 -13.689
  311   HG21  ILE  47          1HG2      ILE  47   4.335  -7.291 -14.560
  312   HG22  ILE  47          2HG2      ILE  47   3.112  -7.134 -13.299
  313   HG23  ILE  47          3HG2      ILE  47   3.270  -8.647 -14.193
  314   HD11  ILE  47          3HD1      ILE  47   7.074 -10.895 -12.933
  315   HD12  ILE  47          1HD1      ILE  47   5.434 -10.975 -12.291
  316   HD13  ILE  47          2HD1      ILE  47   6.620  -9.900 -11.550
  317    H    ALA  48           H        ALA  48   7.808  -7.163 -13.196
  318    HA   ALA  48           HA       ALA  48   7.170  -4.788 -14.900
  319    HB1  ALA  48           1HB      ALA  48   8.991  -4.649 -12.993
  320    HB2  ALA  48           2HB      ALA  48   9.309  -3.927 -14.570
  321    HB3  ALA  48           3HB      ALA  48   9.992  -5.503 -14.167
  322    H    ARG  49           H        ARG  49   7.484  -5.051 -17.074
  323    HA   ARG  49           HA       ARG  49   8.815  -7.582 -17.962
  324    HB2  ARG  49           2HB      ARG  49   6.693  -6.171 -19.570
  325    HB3  ARG  49           1HB      ARG  49   7.195  -7.862 -19.643
  326    HG2  ARG  49           2HG      ARG  49   5.447  -8.316 -18.290
  327    HG3  ARG  49           1HG      ARG  49   6.357  -7.522 -17.005
  328    HD2  ARG  49           2HD      ARG  49   4.503  -6.183 -16.918
  329    HD3  ARG  49           1HD      ARG  49   5.323  -5.348 -18.238
  330    HE   ARG  49           HE       ARG  49   3.552  -6.040 -19.614
  331   HH11  ARG  49          1HH2      ARG  49   2.701  -7.218 -16.681
  332   HH12  ARG  49          2HH2      ARG  49   1.944  -8.671 -17.241
  333   HH21  ARG  49          1HH1      ARG  49   3.126  -8.351 -20.485
  334   HH22  ARG  49          2HH1      ARG  49   2.185  -9.314 -19.394
  335    H    GLY  50           H        GLY  50  10.586  -7.235 -19.225
  336    HA2  GLY  50           2HA      GLY  50  11.113  -5.847 -21.413
  337    HA3  GLY  50           1HA      GLY  50  11.022  -4.494 -20.289
  338    H    ASP  51           H        ASP  51  12.755  -4.115 -18.921
  339    HA   ASP  51           HA       ASP  51  14.874  -6.131 -18.615
  340    HB2  ASP  51           2HB      ASP  51  15.094  -4.481 -20.788
  341    HB3  ASP  51           1HB      ASP  51  15.960  -3.554 -19.562
  342    H    TRP  52           H        TRP  52  13.180  -4.956 -16.718
  343    HA   TRP  52           HA       TRP  52  15.153  -3.355 -15.153
  344    HB2  TRP  52           2HB      TRP  52  12.838  -2.392 -14.149
  345    HB3  TRP  52           1HB      TRP  52  13.689  -1.620 -15.483
  346    HD1  TRP  52           HD       TRP  52  11.299  -4.675 -15.347
  347    HE1  TRP  52           1HE      TRP  52   9.492  -4.347 -17.156
  348    HE3  TRP  52           3HE      TRP  52  12.711  -0.126 -17.196
  349    HZ2  TRP  52           2HZ      TRP  52   8.741  -2.412 -19.125
  350    HZ3  TRP  52           3HZ      TRP  52  11.432   0.935 -19.034
  351    HH2  TRP  52           HH       TRP  52   9.451  -0.201 -20.000
  352    H    ASN  53           H        ASN  53  14.399  -3.363 -12.731
  353    HA   ASN  53           HA       ASN  53  14.061  -6.183 -11.999
  354    HB2  ASN  53           2HB      ASN  53  14.229  -5.176  -9.630
  355    HB3  ASN  53           1HB      ASN  53  15.647  -5.031 -10.668
  356   HD21  ASN  53          1HD2      ASN  53  16.102  -3.099  -9.156
  357   HD22  ASN  53          2HD2      ASN  53  15.393  -1.610  -9.557
  358    H    ASP  54           H        ASP  54  12.467  -6.719 -10.197
  359    HA   ASP  54           HA       ASP  54   9.821  -5.644 -10.962
  360    HB2  ASP  54           2HB      ASP  54  10.155  -7.733  -8.845
  361    HB3  ASP  54           1HB      ASP  54   8.927  -7.600 -10.103
  362    H    ASP  55           H        ASP  55   8.289  -4.966  -9.270
  363    HA   ASP  55           HA       ASP  55   9.672  -3.427  -7.153
  364    HB2  ASP  55           2HB      ASP  55   6.706  -3.426  -7.727
  365    HB3  ASP  55           1HB      ASP  55   7.670  -2.160  -6.966
  366    H    ARG  56           H        ARG  56   9.837  -4.277  -5.139
  367    HA   ARG  56           HA       ARG  56   7.796  -6.300  -4.302
  368    HB2  ARG  56           2HB      ARG  56  10.589  -6.151  -3.184
  369    HB3  ARG  56           1HB      ARG  56   9.455  -7.502  -3.143
  370    HG2  ARG  56           2HG      ARG  56   9.895  -6.787  -5.879
  371    HG3  ARG  56           1HG      ARG  56  11.464  -6.967  -5.092
  372    HD2  ARG  56           2HD      ARG  56  10.845  -9.181  -4.274
  373    HD3  ARG  56           1HD      ARG  56   9.222  -9.001  -4.940
  374    HE   ARG  56           HE       ARG  56  10.938  -8.644  -7.114
  375   HH11  ARG  56          1HH1      ARG  56   9.084 -11.024  -5.869
  376   HH12  ARG  56          2HH1      ARG  56  10.067 -12.357  -6.371
  377   HH21  ARG  56          1HH2      ARG  56  12.762 -10.373  -7.280
  378   HH22  ARG  56          2HH2      ARG  56  12.149 -11.989  -7.171
  379    H    CYS  57           H        CYS  57   6.521  -5.574  -2.690
  380    HA   CYS  57           HA       CYS  57   6.866  -3.112  -1.338
  381    HB2  CYS  57           2HB      CYS  57   5.220  -5.562  -0.870
  382    HB3  CYS  57           1HB      CYS  57   5.362  -4.404   0.451
  383    H    THR  58           H        THR  58   7.562  -2.677   0.841
  384    HA   THR  58           HA       THR  58   9.828  -4.352   1.671
  385    HB   THR  58           HB       THR  58  10.402  -2.562   3.135
  386    HG1  THR  58           1HG      THR  58   7.803  -1.524   2.688
  387   HG21  THR  58          3HG2      THR  58   9.484  -0.544   1.450
  388   HG22  THR  58          1HG2      THR  58   9.527  -1.973   0.417
  389   HG23  THR  58          2HG2      THR  58  10.984  -1.451   1.262
  390    H    GLY  59           H        GLY  59   6.563  -4.495   2.211
  391    HA2  GLY  59           2HA      GLY  59   5.489  -6.031   3.697
  392    HA3  GLY  59           1HA      GLY  59   6.973  -6.113   4.647
  393    H    GLN  60           H        GLN  60   7.006  -3.031   4.483
  394    HA   GLN  60           HA       GLN  60   5.024  -2.616   6.683
  395    HB2  GLN  60           2HB      GLN  60   7.671  -1.226   6.163
  396    HB3  GLN  60           1HB      GLN  60   6.550  -0.809   7.460
  397    HG2  GLN  60           2HG      GLN  60   6.950  -3.623   7.574
  398    HG3  GLN  60           1HG      GLN  60   8.542  -2.876   7.427
  399   HE21  GLN  60          1HE2      GLN  60   7.922  -0.394   8.799
  400   HE22  GLN  60          2HE2      GLN  60   7.662  -0.763  10.436
  401    H    SER  61           H        SER  61   5.978  -1.687   3.523
  402    HA   SER  61           HA       SER  61   4.475   0.872   3.690
  403    HB2  SER  61           2HB      SER  61   6.558   1.071   2.507
  404    HB3  SER  61           1HB      SER  61   6.215  -0.360   1.539
  405    HG   SER  61           HG       SER  61   4.882   0.773   0.320
  406    H    ALA  62           H        ALA  62   2.623   1.240   2.387
  407    HA   ALA  62           HA       ALA  62   1.319  -1.264   1.402
  408    HB1  ALA  62           1HB      ALA  62  -0.188  -0.439   2.948
  409    HB2  ALA  62           2HB      ALA  62  -0.736   0.445   1.524
  410    HB3  ALA  62           3HB      ALA  62   0.314   1.234   2.701
  411    H    ASP  63           H        ASP  63   2.078   2.100   0.578
  412    HA   ASP  63           HA       ASP  63   0.880   1.795  -2.101
  413    HB2  ASP  63           2HB      ASP  63   2.485   4.076  -0.901
  414    HB3  ASP  63           1HB      ASP  63   1.621   4.126  -2.437
  415    H    CYS  64           H        CYS  64   2.145   0.267  -3.191
  416    HA   CYS  64           HA       CYS  64   4.969   0.045  -3.074
  417    HB2  CYS  64           2HB      CYS  64   3.623  -1.711  -4.080
  418    HB3  CYS  64           1HB      CYS  64   3.063  -0.610  -5.338
  419    HA   PRO  65           HA       PRO  65   6.062   3.748  -5.198
  420    HB2  PRO  65           2HB      PRO  65   8.751   3.333  -4.916
  421    HB3  PRO  65           1HB      PRO  65   7.734   3.989  -3.634
  422    HG2  PRO  65           2HG      PRO  65   8.962   1.294  -3.889
  423    HG3  PRO  65           1HG      PRO  65   8.432   2.151  -2.432
  424    HD2  PRO  65           2HD      PRO  65   7.036   0.067  -3.752
  425    HD3  PRO  65           1HD      PRO  65   6.402   1.114  -2.464
  426    H    ARG  66           H        ARG  66   8.445   3.849  -6.718
  427    HA   ARG  66           HA       ARG  66   7.918   1.797  -8.834
  428    HB2  ARG  66           2HB      ARG  66   8.870   4.637  -9.292
  429    HB3  ARG  66           1HB      ARG  66   8.366   3.469 -10.513
  430    HG2  ARG  66           2HG      ARG  66   6.085   3.505  -9.693
  431    HG3  ARG  66           1HG      ARG  66   6.549   4.521  -8.327
  432    HD2  ARG  66           2HD      ARG  66   7.465   5.811 -10.695
  433    HD3  ARG  66           1HD      ARG  66   5.788   5.338 -10.967
  434    HE   ARG  66           HE       ARG  66   5.830   6.488  -8.414
  435   HH11  ARG  66          1HH1      ARG  66   7.940   8.281  -9.491
  436   HH12  ARG  66          2HH1      ARG  66   7.018   9.558 -10.211
  437   HH21  ARG  66          1HH2      ARG  66   4.062   7.748 -10.273
  438   HH22  ARG  66          2HH2      ARG  66   4.824   9.257 -10.653
  439    H    TYR  67           H        TYR  67  10.060   2.377 -10.494
  440    HA   TYR  67           HA       TYR  67  12.526   2.429  -8.895
  441    HB2  TYR  67           2HB      TYR  67  11.591  -0.064 -10.341
  442    HB3  TYR  67           1HB      TYR  67  13.260   0.193  -9.831
  443    HD1  TYR  67           1HD      TYR  67  13.868   0.244  -7.462
  444    HD2  TYR  67           2HD      TYR  67   9.809  -0.406  -8.706
  445    HE1  TYR  67           1HE      TYR  67  13.288  -0.518  -5.175
  446    HE2  TYR  67           2HE      TYR  67   9.228  -1.168  -6.419
  447    HH   TYR  67           HH       TYR  67  10.064  -1.791  -4.424
  448    H    HIS  68           H        HIS  68  11.070   1.744 -12.081
  449    HA   HIS  68           HA       HIS  68  13.477   2.978 -13.343
  450    HB2  HIS  68           2HB      HIS  68  11.660   0.800 -14.086
  451    HB3  HIS  68           1HB      HIS  68  11.914   1.958 -15.391
  452    HD1  HIS  68           1HD      HIS  68  14.029   1.681 -16.696
  453    HD2  HIS  68           2HD      HIS  68  14.278  -0.146 -12.957
  454    HE1  HIS  68           1HE      HIS  68  16.259   0.480 -16.631
  Start of MODEL    8
    1    H    GLY   1           1HT      GLY   1  -0.799  19.102   7.575
    2    HA2  GLY   1           1HA      GLY   1   0.815  18.840   5.197
    3    HA3  GLY   1           2HA      GLY   1   1.080  18.191   6.816
    4    H    LYS   2           H        LYS   2   0.941  16.008   6.924
    5    HA   LYS   2           HA       LYS   2  -0.699  14.605   4.855
    6    HB2  LYS   2           2HB      LYS   2   1.641  13.601   6.506
    7    HB3  LYS   2           1HB      LYS   2   0.750  12.646   5.319
    8    HG2  LYS   2           2HG      LYS   2   2.462  13.395   3.966
    9    HG3  LYS   2           1HG      LYS   2   1.339  14.740   3.761
   10    HD2  LYS   2           2HD      LYS   2   3.274  15.892   4.322
   11    HD3  LYS   2           1HD      LYS   2   2.561  15.666   5.920
   12    HE2  LYS   2           2HE      LYS   2   4.015  13.882   6.448
   13    HE3  LYS   2           1HE      LYS   2   4.459  13.630   4.760
   14    HZ1  LYS   2           3HZ      LYS   2   5.534  15.817   4.786
   15    HZ2  LYS   2           1HZ      LYS   2   6.227  14.754   5.911
   16    HZ3  LYS   2           2HZ      LYS   2   5.169  15.975   6.439
   17    H    GLU   3           H        GLU   3  -2.681  14.689   6.020
   18    HA   GLU   3           HA       GLU   3  -2.706  13.000   8.490
   19    HB2  GLU   3           2HB      GLU   3  -4.387  15.456   7.894
   20    HB3  GLU   3           1HB      GLU   3  -4.591  14.406   9.298
   21    HG2  GLU   3           2HG      GLU   3  -2.133  14.867   9.826
   22    HG3  GLU   3           1HG      GLU   3  -2.214  16.146   8.615
   23    H    CYS   4           H        CYS   4  -3.701  13.273   5.315
   24    HA   CYS   4           HA       CYS   4  -6.255  11.821   5.793
   25    HB2  CYS   4           2HB      CYS   4  -5.147  13.467   3.579
   26    HB3  CYS   4           1HB      CYS   4  -6.142  12.093   3.099
   27    H    ASP   5           H        ASP   5  -5.837   9.659   6.064
   28    HA   ASP   5           HA       ASP   5  -3.661   8.379   4.538
   29    HB2  ASP   5           2HB      ASP   5  -4.541   7.934   7.044
   30    HB3  ASP   5           1HB      ASP   5  -5.535   6.755   6.188
   31    H    CYS   6           H        CYS   6  -6.929   9.053   4.055
   32    HA   CYS   6           HA       CYS   6  -7.007   7.095   1.828
   33    HB2  CYS   6           2HB      CYS   6  -8.806   7.118   4.203
   34    HB3  CYS   6           1HB      CYS   6  -9.553   6.832   2.632
   35    H    SER   7           H        SER   7  -8.681   7.670   0.229
   36    HA   SER   7           HA       SER   7  -9.298  10.592   0.332
   37    HB2  SER   7           2HB      SER   7  -7.897  10.080  -1.553
   38    HB3  SER   7           1HB      SER   7  -8.889   8.693  -1.991
   39    HG   SER   7           HG       SER   7  -9.519  10.363  -3.293
   40    H    SER   8           H        SER   8 -10.787   7.767   0.983
   41    HA   SER   8           HA       SER   8 -13.356   8.616  -0.282
   42    HB2  SER   8           2HB      SER   8 -12.081   6.059  -0.063
   43    HB3  SER   8           1HB      SER   8 -13.584   6.012   0.854
   44    HG   SER   8           HG       SER   8 -14.252   5.608  -1.156
   45    HA   PRO   9           HA       PRO   9 -14.534   9.587   3.903
   46    HB2  PRO   9           2HB      PRO   9 -17.082  10.408   3.278
   47    HB3  PRO   9           1HB      PRO   9 -15.642  11.411   3.029
   48    HG2  PRO   9           2HG      PRO   9 -17.288   9.959   1.012
   49    HG3  PRO   9           1HG      PRO   9 -16.284  11.405   0.811
   50    HD2  PRO   9           2HD      PRO   9 -15.578   8.770   0.043
   51    HD3  PRO   9           1HD      PRO   9 -14.480  10.162   0.140
   52    H    GLU  10           H        GLU  10 -15.904   7.192   1.855
   53    HA   GLU  10           HA       GLU  10 -17.667   6.191   4.042
   54    HB2  GLU  10           2HB      GLU  10 -17.741   6.077   1.104
   55    HB3  GLU  10           1HB      GLU  10 -18.080   4.529   1.880
   56    HG2  GLU  10           2HG      GLU  10 -19.835   5.537   3.232
   57    HG3  GLU  10           1HG      GLU  10 -19.446   7.137   2.599
   58    H    ASN  11           H        ASN  11 -14.560   5.918   3.371
   59    HA   ASN  11           HA       ASN  11 -14.214   3.044   3.146
   60    HB2  ASN  11           2HB      ASN  11 -12.541   4.904   2.494
   61    HB3  ASN  11           1HB      ASN  11 -12.145   4.964   4.211
   62   HD21  ASN  11          1HD2      ASN  11 -10.677   3.848   1.669
   63   HD22  ASN  11          2HD2      ASN  11 -10.169   2.309   2.172
   64    HA   PRO  12           HA       PRO  12 -14.952   2.383   7.494
   65    HB2  PRO  12           2HB      PRO  12 -14.618  -0.344   7.400
   66    HB3  PRO  12           1HB      PRO  12 -16.104   0.477   6.891
   67    HG2  PRO  12           2HG      PRO  12 -13.979  -0.767   5.211
   68    HG3  PRO  12           1HG      PRO  12 -15.692  -0.506   4.843
   69    HD2  PRO  12           2HD      PRO  12 -13.530   1.067   3.903
   70    HD3  PRO  12           1HD      PRO  12 -15.253   1.491   3.808
   71    H    CYS  13           H        CYS  13 -12.127   1.418   5.682
   72    HA   CYS  13           HA       CYS  13 -10.594   0.742   8.108
   73    HB2  CYS  13           2HB      CYS  13 -10.344   0.270   5.257
   74    HB3  CYS  13           1HB      CYS  13  -8.846   0.941   5.907
   75    H    CYS  14           H        CYS  14 -11.528   3.553   6.621
   76    HA   CYS  14           HA       CYS  14  -9.165   4.978   7.752
   77    HB2  CYS  14           2HB      CYS  14 -10.477   6.065   5.291
   78    HB3  CYS  14           1HB      CYS  14  -8.816   6.252   5.850
   79    H    ASP  15           H        ASP  15  -9.948   6.193   9.362
   80    HA   ASP  15           HA       ASP  15 -12.675   6.863   9.764
   81    HB2  ASP  15           2HB      ASP  15 -10.453   7.036  11.287
   82    HB3  ASP  15           1HB      ASP  15 -10.611   8.726  10.814
   83    H    ALA  16           H        ALA  16 -13.930   8.379   8.788
   84    HA   ALA  16           HA       ALA  16 -12.842  10.096   6.721
   85    HB1  ALA  16           1HB      ALA  16 -15.038  10.548   6.182
   86    HB2  ALA  16           2HB      ALA  16 -15.546  10.623   7.870
   87    HB3  ALA  16           3HB      ALA  16 -15.282   9.060   7.096
   88    H    ALA  17           H        ALA  17 -14.003  10.610  10.042
   89    HA   ALA  17           HA       ALA  17 -13.903  13.440  10.084
   90    HB1  ALA  17           1HB      ALA  17 -14.376  11.442  11.951
   91    HB2  ALA  17           2HB      ALA  17 -14.349  13.174  12.289
   92    HB3  ALA  17           3HB      ALA  17 -12.900  12.202  12.544
   93    H    THR  18           H        THR  18 -11.359  11.259  11.367
   94    HA   THR  18           HA       THR  18  -9.381  13.394  11.270
   95    HB   THR  18           HB       THR  18  -7.871  11.809  12.192
   96    HG1  THR  18           1HG      THR  18  -8.819   9.492  12.106
   97   HG21  THR  18          3HG2      THR  18 -10.365  12.182  13.299
   98   HG22  THR  18          1HG2      THR  18  -9.005  11.407  14.109
   99   HG23  THR  18          2HG2      THR  18 -10.219  10.424  13.288
  100    H    CYS  19           H        CYS  19 -10.594  11.079   9.042
  101    HA   CYS  19           HA       CYS  19 -10.047  10.748   6.778
  102    HB2  CYS  19           2HB      CYS  19  -9.483  13.270   6.983
  103    HB3  CYS  19           1HB      CYS  19  -7.804  12.740   7.101
  104    H    LYS  20           H        LYS  20  -8.646   9.452   9.160
  105    HA   LYS  20           HA       LYS  20  -6.408   8.304   7.556
  106    HB2  LYS  20           2HB      LYS  20  -6.281   9.527  10.287
  107    HB3  LYS  20           1HB      LYS  20  -5.261   8.130   9.942
  108    HG2  LYS  20           2HG      LYS  20  -5.175  10.039   7.760
  109    HG3  LYS  20           1HG      LYS  20  -4.721  10.802   9.282
  110    HD2  LYS  20           2HD      LYS  20  -3.526   8.169   9.063
  111    HD3  LYS  20           1HD      LYS  20  -3.095   9.170   7.675
  112    HE2  LYS  20           2HE      LYS  20  -2.961  10.757  10.074
  113    HE3  LYS  20           1HE      LYS  20  -2.004   9.290  10.287
  114    HZ1  LYS  20           3HZ      LYS  20  -0.457  10.141   8.978
  115    HZ2  LYS  20           1HZ      LYS  20  -1.361  11.565   8.803
  116    HZ3  LYS  20           2HZ      LYS  20  -1.570  10.287   7.703
  117    H    LEU  21           H        LEU  21  -5.671   6.170   8.588
  118    HA   LEU  21           HA       LEU  21  -7.653   4.265   8.663
  119    HB2  LEU  21           2HB      LEU  21  -5.054   4.370  10.202
  120    HB3  LEU  21           1HB      LEU  21  -6.098   2.948  10.222
  121    HG   LEU  21           HG       LEU  21  -5.714   3.924   7.513
  122   HD11  LEU  21          1HD1      LEU  21  -3.530   4.628   8.686
  123   HD12  LEU  21          2HD1      LEU  21  -3.376   3.611   7.252
  124   HD13  LEU  21          3HD1      LEU  21  -3.210   2.901   8.859
  125   HD21  LEU  21          3HD2      LEU  21  -5.858   1.453   9.035
  126   HD22  LEU  21          1HD2      LEU  21  -4.552   1.389   7.850
  127   HD23  LEU  21          2HD2      LEU  21  -6.202   1.729   7.327
  128    H    ARG  22           H        ARG  22  -9.358   3.846   9.972
  129    HA   ARG  22           HA       ARG  22  -9.662   5.390  12.444
  130    HB2  ARG  22           2HB      ARG  22 -11.731   5.286  11.479
  131    HB3  ARG  22           1HB      ARG  22 -11.418   3.740  10.704
  132    HG2  ARG  22           2HG      ARG  22 -11.735   2.582  12.854
  133    HG3  ARG  22           1HG      ARG  22 -11.995   4.130  13.660
  134    HD2  ARG  22           2HD      ARG  22 -14.149   3.061  13.150
  135    HD3  ARG  22           1HD      ARG  22 -13.961   4.544  12.214
  136    HE   ARG  22           HE       ARG  22 -13.169   2.005  10.904
  137   HH11  ARG  22          1HH2      ARG  22 -13.997   4.950   9.973
  138   HH12  ARG  22          2HH2      ARG  22 -15.420   4.543   9.072
  139   HH21  ARG  22          1HH1      ARG  22 -15.612   1.316  10.327
  140   HH22  ARG  22          2HH1      ARG  22 -16.334   2.487   9.273
  141    HA   PRO  23           HA       PRO  23  -9.552   1.040  14.405
  142    HB2  PRO  23           2HB      PRO  23  -8.972  -1.094  12.773
  143    HB3  PRO  23           1HB      PRO  23 -10.618  -0.520  13.087
  144    HG2  PRO  23           2HG      PRO  23  -8.943  -0.176  10.642
  145    HG3  PRO  23           1HG      PRO  23 -10.708  -0.218  10.797
  146    HD2  PRO  23           2HD      PRO  23  -9.135   2.107  10.484
  147    HD3  PRO  23           1HD      PRO  23 -10.837   2.058  10.993
  148    H    GLY  24           H        GLY  24  -7.690  -1.036  14.217
  149    HA2  GLY  24           2HA      GLY  24  -5.157   0.468  14.418
  150    HA3  GLY  24           1HA      GLY  24  -5.417  -1.195  14.944
  151    H    ALA  25           H        ALA  25  -6.406  -0.057  11.779
  152    HA   ALA  25           HA       ALA  25  -4.819  -2.132  10.487
  153    HB1  ALA  25           1HB      ALA  25  -6.952  -0.247   9.753
  154    HB2  ALA  25           2HB      ALA  25  -6.638  -1.877   9.155
  155    HB3  ALA  25           3HB      ALA  25  -5.768  -0.504   8.471
  156    H    GLN  26           H        GLN  26  -2.953  -1.819   9.202
  157    HA   GLN  26           HA       GLN  26  -1.406   0.565   9.819
  158    HB2  GLN  26           2HB      GLN  26   0.369  -0.516   8.590
  159    HB3  GLN  26           1HB      GLN  26  -0.453  -1.748   9.547
  160    HG2  GLN  26           2HG      GLN  26  -0.436  -2.837   7.548
  161    HG3  GLN  26           1HG      GLN  26  -1.928  -1.932   7.328
  162   HE21  GLN  26          1HE2      GLN  26  -0.316  -2.734   5.083
  163   HE22  GLN  26          2HE2      GLN  26   0.328  -1.338   4.371
  164    H    CYS  27           H        CYS  27  -3.187  -0.640   6.986
  165    HA   CYS  27           HA       CYS  27  -3.037   2.098   5.884
  166    HB2  CYS  27           2HB      CYS  27  -1.770   1.590   4.096
  167    HB3  CYS  27           1HB      CYS  27  -1.469   0.023   4.807
  168    H    GLY  28           H        GLY  28  -4.864   2.635   4.583
  169    HA2  GLY  28           2HA      GLY  28  -7.183   0.855   5.032
  170    HA3  GLY  28           1HA      GLY  28  -7.261   2.524   4.477
  171    H    GLU  29           H        GLU  29  -5.139   2.072   2.493
  172    HA   GLU  29           HA       GLU  29  -6.338   0.094   0.657
  173    HB2  GLU  29           2HB      GLU  29  -6.777   1.696  -1.062
  174    HB3  GLU  29           1HB      GLU  29  -7.538   2.314   0.397
  175    HG2  GLU  29           2HG      GLU  29  -6.321   4.191   0.240
  176    HG3  GLU  29           1HG      GLU  29  -4.844   3.238   0.382
  177    H    GLY  30           H        GLY  30  -4.873  -0.444  -1.102
  178    HA2  GLY  30           2HA      GLY  30  -2.519   0.762  -1.873
  179    HA3  GLY  30           1HA      GLY  30  -2.066  -0.063  -0.383
  180    H    LEU  31           H        LEU  31  -0.729  -0.980  -2.470
  181    HA   LEU  31           HA       LEU  31  -2.161  -3.139  -3.853
  182    HB2  LEU  31           2HB      LEU  31   0.540  -1.909  -3.964
  183    HB3  LEU  31           1HB      LEU  31   0.451  -3.615  -4.396
  184    HG   LEU  31           HG       LEU  31  -1.359  -1.499  -5.578
  185   HD11  LEU  31          1HD1      LEU  31   0.375  -2.407  -7.558
  186   HD12  LEU  31          2HD1      LEU  31   1.419  -2.182  -6.155
  187   HD13  LEU  31          3HD1      LEU  31   0.449  -0.838  -6.757
  188   HD21  LEU  31          3HD2      LEU  31  -0.669  -4.256  -6.615
  189   HD22  LEU  31          1HD2      LEU  31  -1.990  -3.206  -7.128
  190   HD23  LEU  31          2HD2      LEU  31  -2.037  -3.971  -5.540
  191    H    CYS  32           H        CYS  32   0.495  -2.915  -1.471
  192    HA   CYS  32           HA       CYS  32   0.185  -5.812  -0.933
  193    HB2  CYS  32           2HB      CYS  32   2.264  -3.807  -0.026
  194    HB3  CYS  32           1HB      CYS  32   2.268  -5.518   0.410
  195    H    CYS  33           H        CYS  33  -2.010  -4.446  -0.079
  196    HA   CYS  33           HA       CYS  33  -1.597  -4.264   2.876
  197    HB2  CYS  33           2HB      CYS  33  -3.369  -2.723   1.003
  198    HB3  CYS  33           1HB      CYS  33  -3.865  -2.943   2.679
  199    H    GLU  34           H        GLU  34  -2.070  -6.412   3.395
  200    HA   GLU  34           HA       GLU  34  -4.497  -7.667   2.276
  201    HB2  GLU  34           2HB      GLU  34  -2.608  -9.135   2.444
  202    HB3  GLU  34           1HB      GLU  34  -2.298  -8.652   4.111
  203    HG2  GLU  34           2HG      GLU  34  -3.689 -10.249   4.864
  204    HG3  GLU  34           1HG      GLU  34  -5.008  -9.586   3.899
  205    H    GLN  35           H        GLN  35  -6.382  -7.135   3.251
  206    HA   GLN  35           HA       GLN  35  -7.936  -6.709   4.945
  207    HB2  GLN  35           2HB      GLN  35  -6.351  -8.824   5.847
  208    HB3  GLN  35           1HB      GLN  35  -6.354  -7.681   7.192
  209    HG2  GLN  35           2HG      GLN  35  -8.426  -8.364   7.734
  210    HG3  GLN  35           1HG      GLN  35  -9.004  -7.764   6.179
  211   HE21  GLN  35          1HE2      GLN  35  -7.507  -9.627   4.510
  212   HE22  GLN  35          2HE2      GLN  35  -8.178 -11.169   4.746
  213    H    CYS  36           H        CYS  36  -6.078  -4.676   4.258
  214    HA   CYS  36           HA       CYS  36  -5.375  -2.586   5.039
  215    HB2  CYS  36           2HB      CYS  36  -7.173  -3.456   7.311
  216    HB3  CYS  36           1HB      CYS  36  -6.347  -1.896   7.298
  217    H    LYS  37           H        LYS  37  -3.701  -4.882   5.437
  218    HA   LYS  37           HA       LYS  37  -2.169  -3.970   7.827
  219    HB2  LYS  37           2HB      LYS  37  -3.360  -6.544   7.408
  220    HB3  LYS  37           1HB      LYS  37  -1.609  -6.728   7.301
  221    HG2  LYS  37           2HG      LYS  37  -1.948  -5.012   9.463
  222    HG3  LYS  37           1HG      LYS  37  -3.273  -6.163   9.636
  223    HD2  LYS  37           2HD      LYS  37  -1.123  -7.773   8.937
  224    HD3  LYS  37           1HD      LYS  37  -0.398  -6.571  10.006
  225    HE2  LYS  37           2HE      LYS  37  -1.615  -7.258  11.832
  226    HE3  LYS  37           1HE      LYS  37  -3.004  -7.737  10.857
  227    HZ1  LYS  37           3HZ      LYS  37  -2.003  -9.704  11.672
  228    HZ2  LYS  37           1HZ      LYS  37  -0.450  -9.202  11.206
  229    HZ3  LYS  37           2HZ      LYS  37  -1.601  -9.608  10.024
  230    H    PHE  38           H        PHE  38   0.213  -4.634   7.570
  231    HA   PHE  38           HA       PHE  38   1.042  -3.962   4.837
  232    HB2  PHE  38           2HB      PHE  38   2.400  -4.263   7.482
  233    HB3  PHE  38           1HB      PHE  38   3.378  -4.400   6.028
  234    HD1  PHE  38           1HD      PHE  38   2.658  -2.505   4.164
  235    HD2  PHE  38           2HD      PHE  38   2.312  -2.145   8.431
  236    HE1  PHE  38           1HE      PHE  38   2.722  -0.035   3.962
  237    HE2  PHE  38           2HE      PHE  38   2.374   0.324   8.227
  238    HZ   PHE  38           HZ       PHE  38   2.578   1.380   5.992
  239    H    SER  39           H        SER  39   1.324  -5.524   3.321
  240    HA   SER  39           HA       SER  39   1.248  -8.318   3.893
  241    HB2  SER  39           2HB      SER  39   2.617  -7.046   1.506
  242    HB3  SER  39           1HB      SER  39   1.895  -8.650   1.597
  243    HG   SER  39           HG       SER  39  -0.128  -7.568   1.969
  244    H    ARG  40           H        ARG  40   3.579  -9.313   2.537
  245    HA   ARG  40           HA       ARG  40   5.613  -8.604   4.604
  246    HB2  ARG  40           2HB      ARG  40   5.212 -11.126   2.964
  247    HB3  ARG  40           1HB      ARG  40   6.629 -10.840   3.976
  248    HG2  ARG  40           2HG      ARG  40   5.182 -10.578   5.950
  249    HG3  ARG  40           1HG      ARG  40   3.755 -10.840   4.947
  250    HD2  ARG  40           2HD      ARG  40   4.051 -13.085   4.919
  251    HD3  ARG  40           1HD      ARG  40   5.786 -12.937   4.643
  252    HE   ARG  40           HE       ARG  40   4.460 -13.034   7.290
  253   HH11  ARG  40          1HH1      ARG  40   7.142 -11.531   5.971
  254   HH12  ARG  40          2HH1      ARG  40   8.307 -12.312   6.989
  255   HH21  ARG  40          1HH2      ARG  40   6.020 -14.533   8.352
  256   HH22  ARG  40          2HH2      ARG  40   7.672 -14.011   8.336
  257    H    ALA  41           H        ALA  41   7.902  -8.605   3.816
  258    HA   ALA  41           HA       ALA  41   8.149  -7.008   1.423
  259    HB1  ALA  41           1HB      ALA  41   9.704  -7.378   3.632
  260    HB2  ALA  41           2HB      ALA  41  10.290  -6.648   2.138
  261    HB3  ALA  41           3HB      ALA  41  10.575  -8.360   2.454
  262    H    GLY  42           H        GLY  42   9.655  -7.663  -0.399
  263    HA2  GLY  42           2HA      GLY  42  10.254  -9.177  -2.104
  264    HA3  GLY  42           1HA      GLY  42  10.053 -10.482  -0.933
  265    H    LYS  43           H        LYS  43   7.434  -8.266  -1.262
  266    HA   LYS  43           HA       LYS  43   5.774 -10.434  -2.420
  267    HB2  LYS  43           2HB      LYS  43   4.681  -9.465  -0.581
  268    HB3  LYS  43           1HB      LYS  43   5.197  -7.838  -1.009
  269    HG2  LYS  43           2HG      LYS  43   2.862  -7.969  -1.549
  270    HG3  LYS  43           1HG      LYS  43   3.718  -8.038  -3.079
  271    HD2  LYS  43           2HD      LYS  43   3.436 -10.411  -3.240
  272    HD3  LYS  43           1HD      LYS  43   2.877 -10.521  -1.570
  273    HE2  LYS  43           2HE      LYS  43   1.031 -10.619  -3.298
  274    HE3  LYS  43           1HE      LYS  43   0.841  -9.344  -2.094
  275    HZ1  LYS  43           3HZ      LYS  43   2.353  -8.622  -4.461
  276    HZ2  LYS  43           1HZ      LYS  43   1.184  -7.738  -3.607
  277    HZ3  LYS  43           2HZ      LYS  43   0.702  -8.929  -4.719
  278    H    ILE  44           H        ILE  44   5.386 -10.481  -4.565
  279    HA   ILE  44           HA       ILE  44   6.251  -8.424  -6.355
  280    HB   ILE  44           HB       ILE  44   4.880 -11.016  -6.537
  281   HG12  ILE  44          2HG1      ILE  44   7.235 -10.549  -7.157
  282   HG13  ILE  44          1HG1      ILE  44   6.312 -11.195  -8.516
  283   HG21  ILE  44          1HG2      ILE  44   4.106 -10.443  -8.943
  284   HG22  ILE  44          2HG2      ILE  44   4.101  -8.767  -8.393
  285   HG23  ILE  44          3HG2      ILE  44   3.058  -9.954  -7.610
  286   HD11  ILE  44          3HD1      ILE  44   5.838  -8.698  -9.082
  287   HD12  ILE  44          1HD1      ILE  44   7.424  -9.361  -9.471
  288   HD13  ILE  44          2HD1      ILE  44   7.215  -8.364  -8.032
  289    H    CYS  45           H        CYS  45   5.355  -6.411  -5.984
  290    HA   CYS  45           HA       CYS  45   2.436  -6.167  -5.607
  291    HB2  CYS  45           2HB      CYS  45   3.001  -3.681  -5.501
  292    HB3  CYS  45           1HB      CYS  45   3.688  -4.677  -4.222
  293    H    ARG  46           H        ARG  46   4.774  -6.018  -8.097
  294    HA   ARG  46           HA       ARG  46   2.692  -5.528 -10.090
  295    HB2  ARG  46           2HB      ARG  46   4.428  -3.362  -9.171
  296    HB3  ARG  46           1HB      ARG  46   4.555  -3.635 -10.910
  297    HG2  ARG  46           2HG      ARG  46   2.305  -3.158 -11.287
  298    HG3  ARG  46           1HG      ARG  46   1.839  -3.555  -9.633
  299    HD2  ARG  46           2HD      ARG  46   1.765  -1.115 -10.010
  300    HD3  ARG  46           1HD      ARG  46   2.992  -1.536  -8.815
  301    HE   ARG  46           HE       ARG  46   4.608  -0.686 -10.297
  302   HH11  ARG  46          1HH1      ARG  46   1.757   0.126 -11.666
  303   HH12  ARG  46          2HH1      ARG  46   2.260  -0.002 -13.319
  304   HH21  ARG  46          1HH2      ARG  46   5.257  -1.571 -12.563
  305   HH22  ARG  46          2HH2      ARG  46   4.240  -0.961 -13.825
  306    H    ILE  47           H        ILE  47   3.857  -5.394 -12.359
  307    HA   ILE  47           HA       ILE  47   6.227  -7.221 -12.301
  308    HB   ILE  47           HB       ILE  47   4.215  -8.454 -13.003
  309   HG12  ILE  47          2HG1      ILE  47   5.043  -8.880 -15.472
  310   HG13  ILE  47          1HG1      ILE  47   6.369  -7.816 -14.999
  311   HG21  ILE  47          1HG2      ILE  47   3.286  -6.139 -13.979
  312   HG22  ILE  47          2HG2      ILE  47   2.731  -7.695 -14.595
  313   HG23  ILE  47          3HG2      ILE  47   3.967  -6.791 -15.470
  314   HD11  ILE  47          3HD1      ILE  47   6.583  -9.325 -12.912
  315   HD12  ILE  47          1HD1      ILE  47   7.147  -9.982 -14.449
  316   HD13  ILE  47          2HD1      ILE  47   5.581 -10.473 -13.803
  317    H    ALA  48           H        ALA  48   7.962  -6.343 -13.332
  318    HA   ALA  48           HA       ALA  48   7.497  -3.976 -15.071
  319    HB1  ALA  48           1HB      ALA  48   9.191  -4.023 -13.107
  320    HB2  ALA  48           2HB      ALA  48   9.733  -3.353 -14.646
  321    HB3  ALA  48           3HB      ALA  48  10.196  -4.992 -14.187
  322    H    ARG  49           H        ARG  49   7.689  -4.167 -17.248
  323    HA   ARG  49           HA       ARG  49   8.967  -6.651 -18.312
  324    HB2  ARG  49           2HB      ARG  49   6.902  -4.820 -19.574
  325    HB3  ARG  49           1HB      ARG  49   7.597  -6.249 -20.342
  326    HG2  ARG  49           2HG      ARG  49   6.072  -7.541 -19.316
  327    HG3  ARG  49           1HG      ARG  49   6.689  -7.015 -17.749
  328    HD2  ARG  49           2HD      ARG  49   4.323  -6.468 -17.867
  329    HD3  ARG  49           1HD      ARG  49   5.251  -4.970 -17.930
  330    HE   ARG  49           HE       ARG  49   3.976  -4.665 -19.904
  331   HH11  ARG  49          1HH2      ARG  49   3.658  -7.903 -19.580
  332   HH12  ARG  49          2HH2      ARG  49   3.953  -8.318 -21.235
  333   HH21  ARG  49          1HH1      ARG  49   5.080  -5.156 -22.105
  334   HH22  ARG  49          2HH1      ARG  49   4.759  -6.764 -22.664
  335    H    GLY  50           H        GLY  50  10.770  -6.408 -19.577
  336    HA2  GLY  50           2HA      GLY  50  11.566  -4.726 -21.474
  337    HA3  GLY  50           1HA      GLY  50  11.689  -3.634 -20.098
  338    H    ASP  51           H        ASP  51  13.438  -3.837 -18.725
  339    HA   ASP  51           HA       ASP  51  15.168  -6.223 -18.891
  340    HB2  ASP  51           2HB      ASP  51  15.834  -3.588 -20.091
  341    HB3  ASP  51           1HB      ASP  51  17.110  -4.351 -19.138
  342    H    TRP  52           H        TRP  52  13.587  -5.170 -16.771
  343    HA   TRP  52           HA       TRP  52  15.755  -4.408 -14.863
  344    HB2  TRP  52           2HB      TRP  52  13.668  -3.192 -13.695
  345    HB3  TRP  52           1HB      TRP  52  14.672  -2.370 -14.889
  346    HD1  TRP  52           HD       TRP  52  11.746  -4.890 -15.249
  347    HE1  TRP  52           1HE      TRP  52  10.070  -3.922 -16.946
  348    HE3  TRP  52           3HE      TRP  52  14.020  -0.436 -16.308
  349    HZ2  TRP  52           2HZ      TRP  52   9.729  -1.577 -18.541
  350    HZ3  TRP  52           3HZ      TRP  52  12.994   1.142 -17.922
  351    HH2  TRP  52           HH       TRP  52  10.854   0.576 -19.038
  352    H    ASN  53           H        ASN  53  14.691  -4.682 -12.497
  353    HA   ASN  53           HA       ASN  53  13.811  -7.495 -12.416
  354    HB2  ASN  53           2HB      ASN  53  14.247  -5.657 -10.054
  355    HB3  ASN  53           1HB      ASN  53  14.321  -7.420 -10.088
  356   HD21  ASN  53          1HD2      ASN  53  16.435  -8.182 -10.089
  357   HD22  ASN  53          2HD2      ASN  53  17.762  -7.387 -10.786
  358    H    ASP  54           H        ASP  54  11.998  -8.031 -10.822
  359    HA   ASP  54           HA       ASP  54   9.649  -6.455 -11.547
  360    HB2  ASP  54           2HB      ASP  54   9.737  -8.699  -9.523
  361    HB3  ASP  54           1HB      ASP  54   8.378  -8.185 -10.522
  362    H    ASP  55           H        ASP  55   8.070  -5.844  -9.717
  363    HA   ASP  55           HA       ASP  55   9.611  -4.313  -7.704
  364    HB2  ASP  55           2HB      ASP  55   6.743  -4.211  -8.656
  365    HB3  ASP  55           1HB      ASP  55   7.299  -3.303  -7.250
  366    H    ARG  56           H        ARG  56   9.762  -5.015  -5.641
  367    HA   ARG  56           HA       ARG  56   7.739  -6.998  -4.675
  368    HB2  ARG  56           2HB      ARG  56  10.711  -6.882  -4.094
  369    HB3  ARG  56           1HB      ARG  56   9.575  -7.974  -3.304
  370    HG2  ARG  56           2HG      ARG  56   9.084  -8.270  -6.055
  371    HG3  ARG  56           1HG      ARG  56  10.841  -8.230  -5.898
  372    HD2  ARG  56           2HD      ARG  56  10.367  -9.868  -3.866
  373    HD3  ARG  56           1HD      ARG  56   8.881 -10.189  -4.760
  374    HE   ARG  56           HE       ARG  56  10.544 -10.629  -6.741
  375   HH11  ARG  56          1HH1      ARG  56  10.256 -12.114  -3.764
  376   HH12  ARG  56          2HH1      ARG  56  11.735 -13.010  -3.860
  377   HH21  ARG  56          1HH2      ARG  56  12.836 -11.394  -6.724
  378   HH22  ARG  56          2HH2      ARG  56  13.196 -12.602  -5.537
  379    H    CYS  57           H        CYS  57   6.572  -6.155  -3.017
  380    HA   CYS  57           HA       CYS  57   7.133  -3.671  -1.767
  381    HB2  CYS  57           2HB      CYS  57   5.401  -6.011  -1.007
  382    HB3  CYS  57           1HB      CYS  57   5.577  -4.639   0.082
  383    H    THR  58           H        THR  58   7.777  -3.285   0.476
  384    HA   THR  58           HA       THR  58  10.020  -5.030   1.247
  385    HB   THR  58           HB       THR  58  10.577  -2.726   1.332
  386    HG1  THR  58           1HG      THR  58  11.396  -3.466   3.161
  387   HG21  THR  58          3HG2      THR  58   8.774  -1.352   1.314
  388   HG22  THR  58          1HG2      THR  58   8.900  -1.420   3.071
  389   HG23  THR  58          2HG2      THR  58   7.785  -2.492   2.225
  390    H    GLY  59           H        GLY  59   6.830  -5.211   1.795
  391    HA2  GLY  59           2HA      GLY  59   5.685  -6.527   3.402
  392    HA3  GLY  59           1HA      GLY  59   7.207  -6.715   4.280
  393    H    GLN  60           H        GLN  60   7.119  -3.525   3.770
  394    HA   GLN  60           HA       GLN  60   5.394  -2.942   6.132
  395    HB2  GLN  60           2HB      GLN  60   7.956  -1.447   5.616
  396    HB3  GLN  60           1HB      GLN  60   7.065  -1.627   7.128
  397    HG2  GLN  60           2HG      GLN  60   7.626  -4.094   7.056
  398    HG3  GLN  60           1HG      GLN  60   8.695  -3.742   5.698
  399   HE21  GLN  60          1HE2      GLN  60   9.337  -1.019   6.961
  400   HE22  GLN  60          2HE2      GLN  60  10.449  -1.384   8.190
  401    H    SER  61           H        SER  61   5.930  -2.412   2.900
  402    HA   SER  61           HA       SER  61   4.927   0.404   3.039
  403    HB2  SER  61           2HB      SER  61   6.183  -1.057   0.697
  404    HB3  SER  61           1HB      SER  61   5.716   0.640   0.732
  405    HG   SER  61           HG       SER  61   7.504   1.065   1.740
  406    H    ALA  62           H        ALA  62   2.952   0.898   2.115
  407    HA   ALA  62           HA       ALA  62   1.311  -1.415   1.221
  408    HB1  ALA  62           1HB      ALA  62   0.200  -0.115   2.885
  409    HB2  ALA  62           2HB      ALA  62  -0.554   0.351   1.360
  410    HB3  ALA  62           3HB      ALA  62   0.648   1.403   2.106
  411    H    ASP  63           H        ASP  63   2.178   1.890   0.162
  412    HA   ASP  63           HA       ASP  63   0.999   1.435  -2.484
  413    HB2  ASP  63           2HB      ASP  63   2.877   3.696  -1.824
  414    HB3  ASP  63           1HB      ASP  63   1.497   3.687  -2.922
  415    H    CYS  64           H        CYS  64   2.141  -0.193  -3.543
  416    HA   CYS  64           HA       CYS  64   4.917  -0.665  -3.417
  417    HB2  CYS  64           2HB      CYS  64   3.474  -2.294  -4.440
  418    HB3  CYS  64           1HB      CYS  64   2.959  -1.149  -5.676
  419    HA   PRO  65           HA       PRO  65   6.235   3.045  -5.455
  420    HB2  PRO  65           2HB      PRO  65   8.847   2.697  -4.713
  421    HB3  PRO  65           1HB      PRO  65   7.624   3.410  -3.657
  422    HG2  PRO  65           2HG      PRO  65   8.909   0.735  -3.532
  423    HG3  PRO  65           1HG      PRO  65   8.118   1.660  -2.245
  424    HD2  PRO  65           2HD      PRO  65   7.011  -0.530  -3.678
  425    HD3  PRO  65           1HD      PRO  65   6.151   0.547  -2.560
  426    H    ARG  66           H        ARG  66   8.592   3.288  -6.747
  427    HA   ARG  66           HA       ARG  66   8.900   0.895  -8.500
  428    HB2  ARG  66           2HB      ARG  66   7.994   3.630  -9.260
  429    HB3  ARG  66           1HB      ARG  66   9.140   2.843 -10.344
  430    HG2  ARG  66           2HG      ARG  66   6.993   1.057  -9.440
  431    HG3  ARG  66           1HG      ARG  66   6.405   2.443 -10.360
  432    HD2  ARG  66           2HD      ARG  66   8.566   1.713 -11.859
  433    HD3  ARG  66           1HD      ARG  66   8.033   0.145 -11.255
  434    HE   ARG  66           HE       ARG  66   5.683   1.180 -12.130
  435   HH11  ARG  66          1HH1      ARG  66   7.152   3.110 -13.862
  436   HH12  ARG  66          2HH1      ARG  66   7.338   2.221 -15.336
  437   HH21  ARG  66          1HH2      ARG  66   6.644  -0.849 -13.883
  438   HH22  ARG  66          2HH2      ARG  66   7.052  -0.019 -15.348
  439    H    TYR  67           H        TYR  67  10.900   1.250  -9.975
  440    HA   TYR  67           HA       TYR  67  12.968   2.824  -8.493
  441    HB2  TYR  67           2HB      TYR  67  13.495   0.182  -9.868
  442    HB3  TYR  67           1HB      TYR  67  14.554   1.055  -8.760
  443    HD1  TYR  67           1HD      TYR  67  13.168   1.726  -6.456
  444    HD2  TYR  67           2HD      TYR  67  12.514  -1.710  -8.949
  445    HE1  TYR  67           1HE      TYR  67  12.146   0.529  -4.540
  446    HE2  TYR  67           2HE      TYR  67  11.492  -2.906  -7.033
  447    HH   TYR  67           HH       TYR  67  11.839  -2.535  -4.241
  448    H    HIS  68           H        HIS  68  11.852   1.516 -11.579
  449    HA   HIS  68           HA       HIS  68  13.781   3.336 -12.961
  450    HB2  HIS  68           2HB      HIS  68  12.563   0.693 -13.697
  451    HB3  HIS  68           1HB      HIS  68  13.035   1.808 -14.979
  452    HD1  HIS  68           1HD      HIS  68  14.424  -0.493 -12.415
  453    HD2  HIS  68           2HD      HIS  68  15.871   2.410 -15.032
  454    HE1  HIS  68           1HE      HIS  68  16.938  -0.790 -12.496
  Start of MODEL    9
    1    H    GLY   1           1HT      GLY   1   1.485  14.196   7.326
    2    HA2  GLY   1           1HA      GLY   1   2.171  16.472   8.660
    3    HA3  GLY   1           2HA      GLY   1   2.125  16.956   6.965
    4    H    LYS   2           H        LYS   2   0.129  16.136   5.744
    5    HA   LYS   2           HA       LYS   2  -2.231  17.109   6.941
    6    HB2  LYS   2           2HB      LYS   2  -3.418  15.785   5.125
    7    HB3  LYS   2           1HB      LYS   2  -2.160  16.882   4.554
    8    HG2  LYS   2           2HG      LYS   2  -0.677  14.650   4.971
    9    HG3  LYS   2           1HG      LYS   2  -2.226  13.916   4.554
   10    HD2  LYS   2           2HD      LYS   2  -2.319  15.220   2.483
   11    HD3  LYS   2           1HD      LYS   2  -0.812  16.033   2.905
   12    HE2  LYS   2           2HE      LYS   2  -0.511  13.149   3.055
   13    HE3  LYS   2           1HE      LYS   2  -1.073  13.644   1.459
   14    HZ1  LYS   2           3HZ      LYS   2   0.737  15.388   1.579
   15    HZ2  LYS   2           1HZ      LYS   2   1.244  13.783   1.365
   16    HZ3  LYS   2           2HZ      LYS   2   1.362  14.513   2.894
   17    H    GLU   3           H        GLU   3  -4.250  15.282   6.784
   18    HA   GLU   3           HA       GLU   3  -3.439  13.009   8.533
   19    HB2  GLU   3           2HB      GLU   3  -5.481  13.472   9.938
   20    HB3  GLU   3           1HB      GLU   3  -4.219  14.695  10.080
   21    HG2  GLU   3           2HG      GLU   3  -5.720  16.254   9.473
   22    HG3  GLU   3           1HG      GLU   3  -5.837  15.476   7.894
   23    H    CYS   4           H        CYS   4  -3.983  12.758   5.827
   24    HA   CYS   4           HA       CYS   4  -6.618  11.344   5.893
   25    HB2  CYS   4           2HB      CYS   4  -5.462  13.065   3.684
   26    HB3  CYS   4           1HB      CYS   4  -6.780  11.929   3.415
   27    H    ASP   5           H        ASP   5  -5.565   9.369   6.289
   28    HA   ASP   5           HA       ASP   5  -3.307   8.460   4.718
   29    HB2  ASP   5           2HB      ASP   5  -4.640   7.617   7.050
   30    HB3  ASP   5           1HB      ASP   5  -4.844   6.301   5.892
   31    H    CYS   6           H        CYS   6  -6.696   8.563   4.154
   32    HA   CYS   6           HA       CYS   6  -6.311   6.721   1.829
   33    HB2  CYS   6           2HB      CYS   6  -8.670   6.033   2.087
   34    HB3  CYS   6           1HB      CYS   6  -7.735   5.653   3.533
   35    H    SER   7           H        SER   7  -7.096   7.470  -0.127
   36    HA   SER   7           HA       SER   7  -7.908  10.305  -0.205
   37    HB2  SER   7           2HB      SER   7  -6.391   8.684  -1.885
   38    HB3  SER   7           1HB      SER   7  -7.910   8.875  -2.755
   39    HG   SER   7           HG       SER   7  -7.680  11.146  -2.424
   40    H    SER   8           H        SER   8  -9.430   7.284  -0.052
   41    HA   SER   8           HA       SER   8 -11.853   8.316  -1.448
   42    HB2  SER   8           2HB      SER   8 -11.112   5.511  -0.574
   43    HB3  SER   8           1HB      SER   8 -12.628   5.948  -1.357
   44    HG   SER   8           HG       SER   8 -11.213   5.287  -2.937
   45    HA   PRO   9           HA       PRO   9 -13.498   8.913   2.645
   46    HB2  PRO   9           2HB      PRO   9 -15.958   9.819   1.815
   47    HB3  PRO   9           1HB      PRO   9 -14.499  10.823   1.828
   48    HG2  PRO   9           2HG      PRO   9 -15.902   9.585  -0.493
   49    HG3  PRO   9           1HG      PRO   9 -14.882  11.034  -0.441
   50    HD2  PRO   9           2HD      PRO   9 -14.091   8.477  -1.369
   51    HD3  PRO   9           1HD      PRO   9 -13.010   9.841  -1.010
   52    H    GLU  10           H        GLU  10 -14.702   6.793   0.199
   53    HA   GLU  10           HA       GLU  10 -16.853   5.670   1.852
   54    HB2  GLU  10           2HB      GLU  10 -15.659   4.947  -0.828
   55    HB3  GLU  10           1HB      GLU  10 -16.847   3.913  -0.032
   56    HG2  GLU  10           2HG      GLU  10 -18.128   6.260   0.210
   57    HG3  GLU  10           1HG      GLU  10 -17.194   6.613  -1.244
   58    H    ASN  11           H        ASN  11 -13.508   5.392   1.785
   59    HA   ASN  11           HA       ASN  11 -13.239   2.560   2.301
   60    HB2  ASN  11           2HB      ASN  11 -11.424   4.230   1.537
   61    HB3  ASN  11           1HB      ASN  11 -11.314   4.685   3.237
   62   HD21  ASN  11          1HD2      ASN  11  -9.196   3.330   1.709
   63   HD22  ASN  11          2HD2      ASN  11  -8.943   1.826   2.451
   64    HA   PRO  12           HA       PRO  12 -14.732   2.985   6.508
   65    HB2  PRO  12           2HB      PRO  12 -14.799   0.281   7.000
   66    HB3  PRO  12           1HB      PRO  12 -16.069   1.145   6.115
   67    HG2  PRO  12           2HG      PRO  12 -13.956  -0.675   5.062
   68    HG3  PRO  12           1HG      PRO  12 -15.550  -0.296   4.388
   69    HD2  PRO  12           2HD      PRO  12 -13.073   0.768   3.510
   70    HD3  PRO  12           1HD      PRO  12 -14.687   1.363   3.063
   71    H    CYS  13           H        CYS  13 -11.940   1.139   5.418
   72    HA   CYS  13           HA       CYS  13 -10.770   0.478   7.910
   73    HB2  CYS  13           2HB      CYS  13 -10.064  -0.008   5.382
   74    HB3  CYS  13           1HB      CYS  13  -9.010   1.379   5.665
   75    H    CYS  14           H        CYS  14 -10.812   3.507   6.108
   76    HA   CYS  14           HA       CYS  14  -9.158   4.743   8.266
   77    HB2  CYS  14           2HB      CYS  14  -8.588   6.474   6.691
   78    HB3  CYS  14           1HB      CYS  14  -8.364   4.931   5.868
   79    H    ASP  15           H        ASP  15  -9.992   6.468   9.419
   80    HA   ASP  15           HA       ASP  15 -12.833   6.747   9.623
   81    HB2  ASP  15           2HB      ASP  15 -10.967   7.348  11.338
   82    HB3  ASP  15           1HB      ASP  15 -10.887   8.885  10.474
   83    H    ALA  16           H        ALA  16 -14.209   7.997   8.432
   84    HA   ALA  16           HA       ALA  16 -13.327   9.377   6.085
   85    HB1  ALA  16           1HB      ALA  16 -15.750  10.444   6.409
   86    HB2  ALA  16           2HB      ALA  16 -15.901   9.144   7.592
   87    HB3  ALA  16           3HB      ALA  16 -15.553   8.766   5.904
   88    H    ALA  17           H        ALA  17 -14.190  10.507   9.341
   89    HA   ALA  17           HA       ALA  17 -14.008  13.309   8.758
   90    HB1  ALA  17           1HB      ALA  17 -13.501  13.391  11.323
   91    HB2  ALA  17           2HB      ALA  17 -13.846  11.661  11.272
   92    HB3  ALA  17           3HB      ALA  17 -15.081  12.822  10.785
   93    H    THR  18           H        THR  18 -11.635  11.175  10.407
   94    HA   THR  18           HA       THR  18  -9.540  13.195   9.894
   95    HB   THR  18           HB       THR  18  -8.099  11.651  11.229
   96    HG1  THR  18           1HG      THR  18  -9.710  10.041  12.323
   97   HG21  THR  18          3HG2      THR  18 -10.162  13.290  12.093
   98   HG22  THR  18          1HG2      THR  18  -8.890  12.617  13.112
   99   HG23  THR  18          2HG2      THR  18 -10.441  11.790  12.977
  100    H    CYS  19           H        CYS  19 -10.924  11.204   7.906
  101    HA   CYS  19           HA       CYS  19 -10.244   9.668   6.216
  102    HB2  CYS  19           2HB      CYS  19  -8.282  10.902   4.903
  103    HB3  CYS  19           1HB      CYS  19  -9.927  11.511   4.871
  104    H    LYS  20           H        LYS  20  -8.918   8.994   8.729
  105    HA   LYS  20           HA       LYS  20  -6.435   7.854   7.524
  106    HB2  LYS  20           2HB      LYS  20  -6.629   9.078  10.291
  107    HB3  LYS  20           1HB      LYS  20  -5.224   8.233   9.640
  108    HG2  LYS  20           2HG      LYS  20  -6.150  10.304   7.813
  109    HG3  LYS  20           1HG      LYS  20  -5.759  10.970   9.400
  110    HD2  LYS  20           2HD      LYS  20  -3.835   8.985   8.327
  111    HD3  LYS  20           1HD      LYS  20  -3.898  10.530   7.479
  112    HE2  LYS  20           2HE      LYS  20  -3.748  11.623   9.802
  113    HE3  LYS  20           1HE      LYS  20  -3.284  10.028  10.393
  114    HZ1  LYS  20           3HZ      LYS  20  -1.286  10.148   9.410
  115    HZ2  LYS  20           1HZ      LYS  20  -1.558  11.822   9.437
  116    HZ3  LYS  20           2HZ      LYS  20  -1.881  10.932   8.026
  117    H    LEU  21           H        LEU  21  -5.654   5.924   8.685
  118    HA   LEU  21           HA       LEU  21  -7.639   3.988   9.101
  119    HB2  LEU  21           2HB      LEU  21  -4.793   4.163  10.113
  120    HB3  LEU  21           1HB      LEU  21  -5.801   2.735  10.361
  121    HG   LEU  21           HG       LEU  21  -5.892   3.670   7.598
  122   HD11  LEU  21          1HD1      LEU  21  -3.476   4.225   8.531
  123   HD12  LEU  21          2HD1      LEU  21  -3.667   3.451   6.957
  124   HD13  LEU  21          3HD1      LEU  21  -3.247   2.483   8.371
  125   HD21  LEU  21          3HD2      LEU  21  -6.295   1.336   8.988
  126   HD22  LEU  21          1HD2      LEU  21  -4.713   1.048   8.264
  127   HD23  LEU  21          2HD2      LEU  21  -6.096   1.431   7.239
  128    H    ARG  22           H        ARG  22  -9.211   4.047  10.615
  129    HA   ARG  22           HA       ARG  22  -8.787   5.420  13.168
  130    HB2  ARG  22           2HB      ARG  22 -10.965   5.421  11.816
  131    HB3  ARG  22           1HB      ARG  22 -11.204   3.778  12.407
  132    HG2  ARG  22           2HG      ARG  22 -12.340   5.388  13.876
  133    HG3  ARG  22           1HG      ARG  22 -11.021   4.591  14.735
  134    HD2  ARG  22           2HD      ARG  22  -9.741   6.500  14.825
  135    HD3  ARG  22           1HD      ARG  22 -10.358   7.111  13.289
  136    HE   ARG  22           HE       ARG  22 -12.558   7.415  14.778
  137   HH11  ARG  22          1HH1      ARG  22 -10.357   6.980  17.030
  138   HH12  ARG  22          2HH1      ARG  22 -10.198   8.619  17.565
  139   HH21  ARG  22          1HH2      ARG  22 -11.886   9.952  14.847
  140   HH22  ARG  22          2HH2      ARG  22 -11.062  10.301  16.330
  141    HA   PRO  23           HA       PRO  23  -9.232   0.928  14.752
  142    HB2  PRO  23           2HB      PRO  23  -8.909  -1.095  12.916
  143    HB3  PRO  23           1HB      PRO  23 -10.479  -0.394  13.340
  144    HG2  PRO  23           2HG      PRO  23  -8.861  -0.011  10.870
  145    HG3  PRO  23           1HG      PRO  23 -10.611   0.142  11.100
  146    HD2  PRO  23           2HD      PRO  23  -8.755   2.273  10.933
  147    HD3  PRO  23           1HD      PRO  23 -10.448   2.398  11.457
  148    H    GLY  24           H        GLY  24  -7.576  -1.314  14.241
  149    HA2  GLY  24           2HA      GLY  24  -4.919  -0.054  14.562
  150    HA3  GLY  24           1HA      GLY  24  -5.318  -1.729  14.941
  151    H    ALA  25           H        ALA  25  -6.455  -0.587  11.900
  152    HA   ALA  25           HA       ALA  25  -4.820  -2.505  10.472
  153    HB1  ALA  25           1HB      ALA  25  -5.820  -1.018   8.478
  154    HB2  ALA  25           2HB      ALA  25  -6.899  -0.483   9.766
  155    HB3  ALA  25           3HB      ALA  25  -6.808  -2.192   9.347
  156    H    GLN  26           H        GLN  26  -2.981  -2.103   9.183
  157    HA   GLN  26           HA       GLN  26  -1.475   0.302   9.861
  158    HB2  GLN  26           2HB      GLN  26  -0.942  -2.300   8.678
  159    HB3  GLN  26           1HB      GLN  26  -0.144  -1.011   7.776
  160    HG2  GLN  26           2HG      GLN  26   1.453  -1.364   9.409
  161    HG3  GLN  26           1HG      GLN  26   0.458  -0.169  10.239
  162   HE21  GLN  26          1HE2      GLN  26   0.596  -0.913  12.401
  163   HE22  GLN  26          2HE2      GLN  26   0.117  -2.466  12.894
  164    H    CYS  27           H        CYS  27  -3.395  -0.803   7.131
  165    HA   CYS  27           HA       CYS  27  -3.168   1.898   5.963
  166    HB2  CYS  27           2HB      CYS  27  -1.477   1.134   4.618
  167    HB3  CYS  27           1HB      CYS  27  -1.946  -0.551   4.795
  168    H    GLY  28           H        GLY  28  -4.886   2.356   4.474
  169    HA2  GLY  28           2HA      GLY  28  -7.232   0.571   4.836
  170    HA3  GLY  28           1HA      GLY  28  -7.305   2.260   4.342
  171    H    GLU  29           H        GLU  29  -5.185   2.047   2.396
  172    HA   GLU  29           HA       GLU  29  -6.154   0.033   0.469
  173    HB2  GLU  29           2HB      GLU  29  -6.759   1.602  -1.204
  174    HB3  GLU  29           1HB      GLU  29  -7.546   2.161   0.263
  175    HG2  GLU  29           2HG      GLU  29  -6.007   3.915   0.576
  176    HG3  GLU  29           1HG      GLU  29  -4.821   3.193  -0.510
  177    H    GLY  30           H        GLY  30  -4.560  -0.510  -1.064
  178    HA2  GLY  30           2HA      GLY  30  -2.402   0.815  -2.048
  179    HA3  GLY  30           1HA      GLY  30  -1.846   0.427  -0.418
  180    H    LEU  31           H        LEU  31  -0.564  -0.647  -2.690
  181    HA   LEU  31           HA       LEU  31  -1.544  -3.267  -3.379
  182    HB2  LEU  31           2HB      LEU  31   1.241  -2.071  -3.481
  183    HB3  LEU  31           1HB      LEU  31   0.818  -3.642  -4.162
  184    HG   LEU  31           HG       LEU  31  -0.640  -1.102  -4.914
  185   HD11  LEU  31          1HD1      LEU  31   0.842  -1.584  -7.089
  186   HD12  LEU  31          2HD1      LEU  31   1.950  -2.230  -5.878
  187   HD13  LEU  31          3HD1      LEU  31   1.423  -0.549  -5.784
  188   HD21  LEU  31          3HD2      LEU  31  -1.984  -2.749  -5.751
  189   HD22  LEU  31          1HD2      LEU  31  -0.707  -3.964  -5.679
  190   HD23  LEU  31          2HD2      LEU  31  -0.767  -2.825  -7.025
  191    H    CYS  32           H        CYS  32   0.642  -2.042  -0.885
  192    HA   CYS  32           HA       CYS  32   1.049  -4.782   0.167
  193    HB2  CYS  32           2HB      CYS  32   2.584  -2.407   0.148
  194    HB3  CYS  32           1HB      CYS  32   2.146  -2.695   1.833
  195    H    CYS  33           H        CYS  33  -1.610  -3.950   0.299
  196    HA   CYS  33           HA       CYS  33  -1.929  -3.504   3.236
  197    HB2  CYS  33           2HB      CYS  33  -3.736  -2.464   1.041
  198    HB3  CYS  33           1HB      CYS  33  -3.957  -2.209   2.771
  199    H    GLU  34           H        GLU  34  -1.938  -5.959   3.134
  200    HA   GLU  34           HA       GLU  34  -4.401  -7.127   1.992
  201    HB2  GLU  34           2HB      GLU  34  -1.971  -8.195   2.046
  202    HB3  GLU  34           1HB      GLU  34  -2.460  -8.688   3.668
  203    HG2  GLU  34           2HG      GLU  34  -4.690  -9.296   2.151
  204    HG3  GLU  34           1HG      GLU  34  -3.359  -9.695   1.064
  205    H    GLN  35           H        GLN  35  -6.201  -7.226   3.242
  206    HA   GLN  35           HA       GLN  35  -7.534  -7.323   5.171
  207    HB2  GLN  35           2HB      GLN  35  -5.148  -8.802   5.825
  208    HB3  GLN  35           1HB      GLN  35  -5.661  -7.871   7.232
  209    HG2  GLN  35           2HG      GLN  35  -7.555  -9.102   7.516
  210    HG3  GLN  35           1HG      GLN  35  -7.853  -9.218   5.780
  211   HE21  GLN  35          1HE2      GLN  35  -7.101 -11.103   4.685
  212   HE22  GLN  35          2HE2      GLN  35  -6.283 -12.369   5.466
  213    H    CYS  36           H        CYS  36  -6.029  -4.962   4.266
  214    HA   CYS  36           HA       CYS  36  -5.749  -2.749   4.966
  215    HB2  CYS  36           2HB      CYS  36  -7.379  -3.942   7.145
  216    HB3  CYS  36           1HB      CYS  36  -6.497  -2.475   7.536
  217    H    LYS  37           H        LYS  37  -3.976  -5.247   5.860
  218    HA   LYS  37           HA       LYS  37  -2.308  -3.698   7.796
  219    HB2  LYS  37           2HB      LYS  37  -2.038  -6.655   7.249
  220    HB3  LYS  37           1HB      LYS  37  -1.508  -5.749   8.666
  221    HG2  LYS  37           2HG      LYS  37  -4.355  -5.416   8.282
  222    HG3  LYS  37           1HG      LYS  37  -3.946  -7.130   8.349
  223    HD2  LYS  37           2HD      LYS  37  -2.719  -6.767  10.452
  224    HD3  LYS  37           1HD      LYS  37  -3.101  -5.046  10.382
  225    HE2  LYS  37           2HE      LYS  37  -4.843  -5.733  11.725
  226    HE3  LYS  37           1HE      LYS  37  -5.590  -6.008  10.151
  227    HZ1  LYS  37           3HZ      LYS  37  -4.940  -8.297  10.233
  228    HZ2  LYS  37           1HZ      LYS  37  -5.777  -7.924  11.659
  229    HZ3  LYS  37           2HZ      LYS  37  -4.084  -8.059  11.680
  230    H    PHE  38           H        PHE  38   0.108  -4.112   7.491
  231    HA   PHE  38           HA       PHE  38   0.782  -3.630   4.690
  232    HB2  PHE  38           2HB      PHE  38   2.467  -3.943   7.186
  233    HB3  PHE  38           1HB      PHE  38   3.150  -3.609   5.599
  234    HD1  PHE  38           1HD      PHE  38   0.567  -1.853   4.837
  235    HD2  PHE  38           2HD      PHE  38   3.402  -1.846   8.066
  236    HE1  PHE  38           1HE      PHE  38   0.162   0.562   5.192
  237    HE2  PHE  38           2HE      PHE  38   2.991   0.572   8.419
  238    HZ   PHE  38           HZ       PHE  38   1.369   1.776   6.982
  239    H    SER  39           H        SER  39   1.200  -5.228   3.238
  240    HA   SER  39           HA       SER  39   1.196  -7.995   3.924
  241    HB2  SER  39           2HB      SER  39   2.424  -6.673   1.486
  242    HB3  SER  39           1HB      SER  39   2.015  -8.379   1.635
  243    HG   SER  39           HG       SER  39   0.132  -6.301   2.029
  244    H    ARG  40           H        ARG  40   3.492  -9.040   2.597
  245    HA   ARG  40           HA       ARG  40   5.548  -8.423   4.663
  246    HB2  ARG  40           2HB      ARG  40   4.851 -10.826   3.031
  247    HB3  ARG  40           1HB      ARG  40   6.543 -10.606   3.478
  248    HG2  ARG  40           2HG      ARG  40   6.148 -11.100   5.651
  249    HG3  ARG  40           1HG      ARG  40   4.693 -10.105   5.697
  250    HD2  ARG  40           2HD      ARG  40   4.109 -12.326   4.031
  251    HD3  ARG  40           1HD      ARG  40   4.898 -12.964   5.473
  252    HE   ARG  40           HE       ARG  40   2.235 -11.914   5.384
  253   HH11  ARG  40          1HH2      ARG  40   3.446 -13.680   7.540
  254   HH12  ARG  40          2HH2      ARG  40   3.394 -12.626   8.914
  255   HH21  ARG  40          1HH1      ARG  40   2.896  -9.759   7.027
  256   HH22  ARG  40          2HH1      ARG  40   3.081 -10.406   8.623
  257    H    ALA  41           H        ALA  41   7.872  -8.575   3.838
  258    HA   ALA  41           HA       ALA  41   8.152  -6.785   1.538
  259    HB1  ALA  41           1HB      ALA  41  10.383  -6.522   2.205
  260    HB2  ALA  41           2HB      ALA  41  10.469  -8.143   2.899
  261    HB3  ALA  41           3HB      ALA  41   9.585  -6.868   3.740
  262    H    GLY  42           H        GLY  42   9.703  -7.354  -0.247
  263    HA2  GLY  42           2HA      GLY  42  10.438  -8.825  -1.934
  264    HA3  GLY  42           1HA      GLY  42  10.309 -10.137  -0.761
  265    H    LYS  43           H        LYS  43   7.534  -8.133  -1.129
  266    HA   LYS  43           HA       LYS  43   6.108 -10.425  -2.373
  267    HB2  LYS  43           2HB      LYS  43   4.600  -9.818  -0.801
  268    HB3  LYS  43           1HB      LYS  43   5.403  -8.281  -0.519
  269    HG2  LYS  43           2HG      LYS  43   3.205  -7.739  -1.299
  270    HG3  LYS  43           1HG      LYS  43   4.267  -7.454  -2.669
  271    HD2  LYS  43           2HD      LYS  43   3.435  -9.232  -3.857
  272    HD3  LYS  43           1HD      LYS  43   3.157 -10.201  -2.409
  273    HE2  LYS  43           2HE      LYS  43   1.472  -7.843  -2.391
  274    HE3  LYS  43           1HE      LYS  43   1.227  -8.769  -3.873
  275    HZ1  LYS  43           3HZ      LYS  43   0.086  -9.329  -1.499
  276    HZ2  LYS  43           1HZ      LYS  43   1.417 -10.379  -1.489
  277    HZ3  LYS  43           2HZ      LYS  43   0.293 -10.447  -2.761
  278    H    ILE  44           H        ILE  44   5.448 -10.396  -4.472
  279    HA   ILE  44           HA       ILE  44   6.333  -8.349  -6.256
  280    HB   ILE  44           HB       ILE  44   4.669 -10.797  -6.433
  281   HG12  ILE  44          2HG1      ILE  44   7.063 -10.734  -6.978
  282   HG13  ILE  44          1HG1      ILE  44   6.117 -11.110  -8.422
  283   HG21  ILE  44          1HG2      ILE  44   4.029 -10.126  -8.829
  284   HG22  ILE  44          2HG2      ILE  44   4.330  -8.462  -8.327
  285   HG23  ILE  44          3HG2      ILE  44   3.071  -9.408  -7.534
  286   HD11  ILE  44          3HD1      ILE  44   7.759  -8.745  -7.826
  287   HD12  ILE  44          1HD1      ILE  44   6.158  -8.358  -8.457
  288   HD13  ILE  44          2HD1      ILE  44   7.244  -9.394  -9.382
  289    H    CYS  45           H        CYS  45   5.598  -6.290  -5.853
  290    HA   CYS  45           HA       CYS  45   2.668  -5.926  -5.475
  291    HB2  CYS  45           2HB      CYS  45   3.414  -3.491  -5.009
  292    HB3  CYS  45           1HB      CYS  45   3.765  -4.700  -3.778
  293    H    ARG  46           H        ARG  46   5.156  -5.627  -7.776
  294    HA   ARG  46           HA       ARG  46   3.244  -4.485  -9.703
  295    HB2  ARG  46           2HB      ARG  46   5.062  -2.786  -8.385
  296    HB3  ARG  46           1HB      ARG  46   5.748  -3.058  -9.988
  297    HG2  ARG  46           2HG      ARG  46   3.751  -2.296 -11.072
  298    HG3  ARG  46           1HG      ARG  46   2.850  -2.303  -9.555
  299    HD2  ARG  46           2HD      ARG  46   5.321  -0.616  -9.769
  300    HD3  ARG  46           1HD      ARG  46   3.824  -0.039 -10.502
  301    HE   ARG  46           HE       ARG  46   4.305  -0.404  -7.608
  302   HH11  ARG  46          1HH2      ARG  46   1.768  -0.700  -9.810
  303   HH12  ARG  46          2HH2      ARG  46   0.720   0.425  -9.012
  304   HH21  ARG  46          1HH1      ARG  46   3.126   1.462  -6.740
  305   HH22  ARG  46          2HH1      ARG  46   1.489   1.649  -7.274
  306    H    ILE  47           H        ILE  47   3.994  -4.719 -11.914
  307    HA   ILE  47           HA       ILE  47   5.970  -6.928 -12.165
  308    HB   ILE  47           HB       ILE  47   3.600  -7.077 -13.129
  309   HG12  ILE  47          2HG1      ILE  47   5.636  -7.337 -15.320
  310   HG13  ILE  47          1HG1      ILE  47   5.810  -8.319 -13.864
  311   HG21  ILE  47          1HG2      ILE  47   3.741  -4.675 -14.010
  312   HG22  ILE  47          2HG2      ILE  47   3.097  -5.879 -15.128
  313   HG23  ILE  47          3HG2      ILE  47   4.760  -5.317 -15.297
  314   HD11  ILE  47          3HD1      ILE  47   3.316  -8.918 -14.215
  315   HD12  ILE  47          1HD1      ILE  47   4.496  -9.666 -15.292
  316   HD13  ILE  47          2HD1      ILE  47   3.540  -8.292 -15.849
  317    H    ALA  48           H        ALA  48   7.709  -6.747 -13.686
  318    HA   ALA  48           HA       ALA  48   8.894  -4.150 -13.898
  319    HB1  ALA  48           1HB      ALA  48  10.053  -5.697 -15.912
  320    HB2  ALA  48           2HB      ALA  48   9.548  -6.877 -14.702
  321    HB3  ALA  48           3HB      ALA  48  10.627  -5.557 -14.250
  322    H    ARG  49           H        ARG  49   8.261  -2.534 -15.241
  323    HA   ARG  49           HA       ARG  49   6.392  -2.981 -17.404
  324    HB2  ARG  49           2HB      ARG  49   8.114  -0.534 -16.918
  325    HB3  ARG  49           1HB      ARG  49   6.605  -0.605 -17.828
  326    HG2  ARG  49           2HG      ARG  49   6.842  -1.278 -14.882
  327    HG3  ARG  49           1HG      ARG  49   6.322   0.291 -15.499
  328    HD2  ARG  49           2HD      ARG  49   4.935  -2.117 -16.577
  329    HD3  ARG  49           1HD      ARG  49   4.570  -1.656 -14.915
  330    HE   ARG  49           HE       ARG  49   3.922   0.598 -15.830
  331   HH11  ARG  49          1HH1      ARG  49   1.836  -1.246 -16.741
  332   HH12  ARG  49          2HH1      ARG  49   1.807  -1.004 -18.456
  333   HH21  ARG  49          1HH2      ARG  49   4.912   0.538 -18.556
  334   HH22  ARG  49          2HH2      ARG  49   3.550   0.007 -19.485
  335    H    GLY  50           H        GLY  50   7.899  -4.705 -18.378
  336    HA2  GLY  50           2HA      GLY  50   8.789  -4.296 -20.851
  337    HA3  GLY  50           1HA      GLY  50  10.112  -3.535 -19.972
  338    H    ASP  51           H        ASP  51  11.642  -4.846 -18.997
  339    HA   ASP  51           HA       ASP  51  11.145  -7.697 -18.569
  340    HB2  ASP  51           2HB      ASP  51  12.234  -6.817 -21.068
  341    HB3  ASP  51           1HB      ASP  51  13.503  -7.656 -20.175
  342    H    TRP  52           H        TRP  52  11.757  -6.021 -16.602
  343    HA   TRP  52           HA       TRP  52  14.647  -6.564 -16.075
  344    HB2  TRP  52           2HB      TRP  52  14.009  -4.297 -14.557
  345    HB3  TRP  52           1HB      TRP  52  15.023  -4.342 -15.996
  346    HD1  TRP  52           HD       TRP  52  11.289  -3.960 -15.064
  347    HE1  TRP  52           1HE      TRP  52  10.175  -2.441 -16.824
  348    HE3  TRP  52           3HE      TRP  52  15.219  -3.272 -18.245
  349    HZ2  TRP  52           2HZ      TRP  52  10.862  -1.111 -19.262
  350    HZ3  TRP  52           3HZ      TRP  52  14.965  -1.878 -20.277
  351    HH2  TRP  52           HH       TRP  52  12.793  -0.798 -20.790
  352    H    ASN  53           H        ASN  53  14.809  -5.803 -13.461
  353    HA   ASN  53           HA       ASN  53  13.657  -7.957 -12.045
  354    HB2  ASN  53           2HB      ASN  53  15.035  -5.440 -11.339
  355    HB3  ASN  53           1HB      ASN  53  13.983  -6.085 -10.079
  356   HD21  ASN  53          1HD2      ASN  53  14.345  -8.502  -9.565
  357   HD22  ASN  53          2HD2      ASN  53  15.932  -9.095  -9.670
  358    H    ASP  54           H        ASP  54  11.736  -8.204 -10.914
  359    HA   ASP  54           HA       ASP  54   9.560  -6.381 -11.620
  360    HB2  ASP  54           2HB      ASP  54   9.786  -8.992 -10.156
  361    HB3  ASP  54           1HB      ASP  54   8.323  -8.023  -9.974
  362    H    ASP  55           H        ASP  55   7.996  -5.814  -9.702
  363    HA   ASP  55           HA       ASP  55   9.594  -4.277  -7.767
  364    HB2  ASP  55           2HB      ASP  55   6.969  -4.075  -8.945
  365    HB3  ASP  55           1HB      ASP  55   6.835  -4.029  -7.188
  366    H    ARG  56           H        ARG  56   9.496  -4.586  -5.508
  367    HA   ARG  56           HA       ARG  56   8.071  -7.043  -4.570
  368    HB2  ARG  56           2HB      ARG  56  10.948  -6.239  -4.066
  369    HB3  ARG  56           1HB      ARG  56  10.100  -7.430  -3.082
  370    HG2  ARG  56           2HG      ARG  56  10.057  -7.733  -6.062
  371    HG3  ARG  56           1HG      ARG  56  11.511  -8.201  -5.181
  372    HD2  ARG  56           2HD      ARG  56  10.358  -9.836  -3.918
  373    HD3  ARG  56           1HD      ARG  56   8.781  -9.160  -4.327
  374    HE   ARG  56           HE       ARG  56   9.191  -9.988  -6.671
  375   HH11  ARG  56          1HH1      ARG  56   9.075 -12.208  -4.481
  376   HH12  ARG  56          2HH1      ARG  56  10.329 -13.256  -5.056
  377   HH21  ARG  56          1HH2      ARG  56  11.661 -10.909  -7.231
  378   HH22  ARG  56          2HH2      ARG  56  11.791 -12.521  -6.612
  379    H    CYS  57           H        CYS  57   6.853  -6.627  -2.816
  380    HA   CYS  57           HA       CYS  57   6.616  -4.038  -1.665
  381    HB2  CYS  57           2HB      CYS  57   5.413  -6.628  -1.330
  382    HB3  CYS  57           1HB      CYS  57   5.779  -5.953   0.254
  383    H    THR  58           H        THR  58   7.279  -3.308   0.438
  384    HA   THR  58           HA       THR  58   9.878  -4.436   1.278
  385    HB   THR  58           HB       THR  58   9.705  -2.347   2.863
  386    HG1  THR  58           1HG      THR  58   8.260  -1.040   1.024
  387   HG21  THR  58          3HG2      THR  58  10.240  -2.497  -0.075
  388   HG22  THR  58          1HG2      THR  58  11.353  -2.164   1.252
  389   HG23  THR  58          2HG2      THR  58  10.245  -0.910   0.694
  390    H    GLY  59           H        GLY  59   6.658  -4.864   2.072
  391    HA2  GLY  59           2HA      GLY  59   5.789  -6.221   3.814
  392    HA3  GLY  59           1HA      GLY  59   7.385  -6.226   4.566
  393    H    GLN  60           H        GLN  60   5.950  -3.206   3.593
  394    HA   GLN  60           HA       GLN  60   4.636  -2.599   6.090
  395    HB2  GLN  60           2HB      GLN  60   6.322  -0.878   6.842
  396    HB3  GLN  60           1HB      GLN  60   6.859  -2.548   7.023
  397    HG2  GLN  60           2HG      GLN  60   7.848  -2.211   4.618
  398    HG3  GLN  60           1HG      GLN  60   7.726  -0.494   5.007
  399   HE21  GLN  60          1HE2      GLN  60   9.037  -3.563   6.367
  400   HE22  GLN  60          2HE2      GLN  60  10.348  -2.827   7.156
  401    H    SER  61           H        SER  61   6.244  -1.440   3.167
  402    HA   SER  61           HA       SER  61   4.880   1.142   3.213
  403    HB2  SER  61           2HB      SER  61   7.035   0.935   2.077
  404    HB3  SER  61           1HB      SER  61   6.379  -0.297   1.002
  405    HG   SER  61           HG       SER  61   5.957   1.397  -0.192
  406    H    ALA  62           H        ALA  62   2.667   1.052   3.042
  407    HA   ALA  62           HA       ALA  62   1.187  -0.974   1.703
  408    HB1  ALA  62           1HB      ALA  62   0.606   1.771   2.710
  409    HB2  ALA  62           2HB      ALA  62  -0.208   0.248   3.066
  410    HB3  ALA  62           3HB      ALA  62  -0.529   1.086   1.547
  411    H    ASP  63           H        ASP  63   2.642   2.011   0.528
  412    HA   ASP  63           HA       ASP  63   1.439   1.552  -2.152
  413    HB2  ASP  63           2HB      ASP  63   3.285   3.836  -1.564
  414    HB3  ASP  63           1HB      ASP  63   1.874   3.784  -2.621
  415    H    CYS  64           H        CYS  64   2.622  -0.037  -3.166
  416    HA   CYS  64           HA       CYS  64   5.381  -0.566  -2.824
  417    HB2  CYS  64           2HB      CYS  64   3.870  -2.132  -3.933
  418    HB3  CYS  64           1HB      CYS  64   3.643  -1.004  -5.268
  419    HA   PRO  65           HA       PRO  65   7.063   2.978  -4.806
  420    HB2  PRO  65           2HB      PRO  65   9.661   2.230  -4.390
  421    HB3  PRO  65           1HB      PRO  65   8.653   2.963  -3.142
  422    HG2  PRO  65           2HG      PRO  65   9.572   0.153  -3.429
  423    HG3  PRO  65           1HG      PRO  65   9.044   1.017  -1.975
  424    HD2  PRO  65           2HD      PRO  65   7.516  -0.842  -3.487
  425    HD3  PRO  65           1HD      PRO  65   6.925   0.198  -2.175
  426    H    ARG  66           H        ARG  66   8.010   3.429  -6.837
  427    HA   ARG  66           HA       ARG  66   8.511   1.047  -8.566
  428    HB2  ARG  66           2HB      ARG  66   8.256   2.874 -10.411
  429    HB3  ARG  66           1HB      ARG  66   6.805   2.311  -9.582
  430    HG2  ARG  66           2HG      ARG  66   6.538   4.275  -8.412
  431    HG3  ARG  66           1HG      ARG  66   8.271   4.600  -8.357
  432    HD2  ARG  66           2HD      ARG  66   7.639   4.679 -11.079
  433    HD3  ARG  66           1HD      ARG  66   6.292   5.501 -10.294
  434    HE   ARG  66           HE       ARG  66   8.498   6.626  -9.081
  435   HH11  ARG  66          1HH2      ARG  66   6.944   6.580 -12.116
  436   HH12  ARG  66          2HH2      ARG  66   8.009   7.734 -12.849
  437   HH21  ARG  66          1HH1      ARG  66  10.133   7.909 -10.113
  438   HH22  ARG  66          2HH1      ARG  66   9.813   8.484 -11.715
  439    H    TYR  67           H        TYR  67  10.553   0.740  -9.350
  440    HA   TYR  67           HA       TYR  67  12.684   2.524  -8.465
  441    HB2  TYR  67           2HB      TYR  67  13.112   0.343 -10.481
  442    HB3  TYR  67           1HB      TYR  67  14.153   0.852  -9.152
  443    HD1  TYR  67           1HD      TYR  67  12.946   0.664  -6.737
  444    HD2  TYR  67           2HD      TYR  67  11.979  -1.673 -10.210
  445    HE1  TYR  67           1HE      TYR  67  11.945  -1.081  -5.286
  446    HE2  TYR  67           2HE      TYR  67  10.980  -3.417  -8.758
  447    HH   TYR  67           HH       TYR  67  11.296  -4.162  -6.297
  448    H    HIS  68           H        HIS  68  11.923   1.305 -11.754
  449    HA   HIS  68           HA       HIS  68  13.218   3.664 -12.923
  450    HB2  HIS  68           2HB      HIS  68  11.847   1.231 -14.081
  451    HB3  HIS  68           1HB      HIS  68  12.397   2.565 -15.095
  452    HD1  HIS  68           1HD      HIS  68  15.064   3.290 -13.984
  453    HD2  HIS  68           2HD      HIS  68  13.831  -0.682 -14.248
  454    HE1  HIS  68           1HE      HIS  68  17.169   1.884 -13.952
  Start of MODEL   10
    1    H    GLY   1           1HT      GLY   1   0.815  18.921   7.349
    2    HA2  GLY   1           1HA      GLY   1   2.665  17.383   7.454
    3    HA3  GLY   1           2HA      GLY   1   2.059  16.790   8.999
    4    H    LYS   2           H        LYS   2   2.096  14.724   7.586
    5    HA   LYS   2           HA       LYS   2   0.006  14.446   5.580
    6    HB2  LYS   2           2HB      LYS   2   2.001  12.664   6.893
    7    HB3  LYS   2           1HB      LYS   2   0.568  11.893   6.212
    8    HG2  LYS   2           2HG      LYS   2   2.230  11.953   4.470
    9    HG3  LYS   2           1HG      LYS   2   1.016  13.170   4.072
   10    HD2  LYS   2           2HD      LYS   2   2.481  14.884   5.211
   11    HD3  LYS   2           1HD      LYS   2   3.727  13.641   5.341
   12    HE2  LYS   2           2HE      LYS   2   4.285  14.740   3.337
   13    HE3  LYS   2           1HE      LYS   2   3.373  13.336   2.781
   14    HZ1  LYS   2           3HZ      LYS   2   1.411  15.090   3.168
   15    HZ2  LYS   2           1HZ      LYS   2   2.206  14.893   1.683
   16    HZ3  LYS   2           2HZ      LYS   2   2.666  16.150   2.731
   17    H    GLU   3           H        GLU   3  -2.113  13.950   5.941
   18    HA   GLU   3           HA       GLU   3  -2.853  12.864   8.628
   19    HB2  GLU   3           2HB      GLU   3  -3.510  15.434   7.546
   20    HB3  GLU   3           1HB      GLU   3  -4.989  14.477   7.634
   21    HG2  GLU   3           2HG      GLU   3  -3.653  13.922  10.030
   22    HG3  GLU   3           1HG      GLU   3  -3.434  15.656   9.792
   23    H    CYS   4           H        CYS   4  -2.871  12.342   5.353
   24    HA   CYS   4           HA       CYS   4  -5.504  10.950   5.419
   25    HB2  CYS   4           2HB      CYS   4  -3.889  12.207   3.295
   26    HB3  CYS   4           1HB      CYS   4  -4.581  10.647   2.853
   27    H    ASP   5           H        ASP   5  -5.122   8.973   6.371
   28    HA   ASP   5           HA       ASP   5  -2.711   7.435   5.640
   29    HB2  ASP   5           2HB      ASP   5  -4.186   7.593   7.957
   30    HB3  ASP   5           1HB      ASP   5  -4.793   6.098   7.243
   31    H    CYS   6           H        CYS   6  -5.219   8.068   3.893
   32    HA   CYS   6           HA       CYS   6  -5.347   5.362   2.700
   33    HB2  CYS   6           2HB      CYS   6  -7.905   5.733   2.479
   34    HB3  CYS   6           1HB      CYS   6  -7.290   5.206   4.045
   35    H    SER   7           H        SER   7  -6.579   5.548   0.518
   36    HA   SER   7           HA       SER   7  -5.741   8.113  -0.742
   37    HB2  SER   7           2HB      SER   7  -5.784   5.313  -1.585
   38    HB3  SER   7           1HB      SER   7  -6.517   6.382  -2.777
   39    HG   SER   7           HG       SER   7  -4.370   6.428  -3.202
   40    H    SER   8           H        SER   8  -8.535   5.952  -0.369
   41    HA   SER   8           HA       SER   8 -10.208   7.937  -1.821
   42    HB2  SER   8           2HB      SER   8 -11.487   5.482  -0.793
   43    HB3  SER   8           1HB      SER   8 -11.579   6.214  -2.392
   44    HG   SER   8           HG       SER   8  -9.592   4.523  -1.304
   45    HA   PRO   9           HA       PRO   9 -11.672   9.362   2.117
   46    HB2  PRO   9           2HB      PRO   9 -13.611  11.035   1.119
   47    HB3  PRO   9           1HB      PRO   9 -11.884  11.432   1.119
   48    HG2  PRO   9           2HG      PRO   9 -13.619  10.617  -1.162
   49    HG3  PRO   9           1HG      PRO   9 -12.129  11.574  -1.173
   50    HD2  PRO   9           2HD      PRO   9 -12.362   8.831  -1.868
   51    HD3  PRO   9           1HD      PRO   9 -10.849   9.723  -1.598
   52    H    GLU  10           H        GLU  10 -13.112   7.086   0.294
   53    HA   GLU  10           HA       GLU  10 -15.614   7.113   1.938
   54    HB2  GLU  10           2HB      GLU  10 -16.775   6.042   0.085
   55    HB3  GLU  10           1HB      GLU  10 -16.013   7.522  -0.504
   56    HG2  GLU  10           2HG      GLU  10 -14.926   6.302  -2.050
   57    HG3  GLU  10           1HG      GLU  10 -14.074   5.471  -0.748
   58    H    ASN  11           H        ASN  11 -12.817   5.802   2.157
   59    HA   ASN  11           HA       ASN  11 -13.524   2.943   2.004
   60    HB2  ASN  11           2HB      ASN  11 -11.156   4.300   1.688
   61    HB3  ASN  11           1HB      ASN  11 -11.005   3.690   3.335
   62   HD21  ASN  11          1HD2      ASN  11  -9.600   1.907   3.006
   63   HD22  ASN  11          2HD2      ASN  11  -9.955   0.610   1.970
   64    HA   PRO  12           HA       PRO  12 -14.775   2.804   6.232
   65    HB2  PRO  12           2HB      PRO  12 -14.695   0.071   6.519
   66    HB3  PRO  12           1HB      PRO  12 -15.989   0.930   5.666
   67    HG2  PRO  12           2HG      PRO  12 -13.743  -0.678   4.541
   68    HG3  PRO  12           1HG      PRO  12 -15.343  -0.348   3.854
   69    HD2  PRO  12           2HD      PRO  12 -12.929   0.927   3.110
   70    HD3  PRO  12           1HD      PRO  12 -14.568   1.468   2.690
   71    H    CYS  13           H        CYS  13 -11.946   0.866   5.233
   72    HA   CYS  13           HA       CYS  13 -10.899   0.468   7.864
   73    HB2  CYS  13           2HB      CYS  13 -10.231  -0.556   5.498
   74    HB3  CYS  13           1HB      CYS  13  -9.042   0.744   5.537
   75    H    CYS  14           H        CYS  14 -11.177   3.298   6.017
   76    HA   CYS  14           HA       CYS  14  -9.148   4.617   7.772
   77    HB2  CYS  14           2HB      CYS  14  -8.183   4.547   5.563
   78    HB3  CYS  14           1HB      CYS  14  -9.686   5.110   4.833
   79    H    ASP  15           H        ASP  15 -10.010   6.252   8.950
   80    HA   ASP  15           HA       ASP  15 -12.778   6.915   8.862
   81    HB2  ASP  15           2HB      ASP  15 -10.958   7.312  10.722
   82    HB3  ASP  15           1HB      ASP  15 -10.736   8.858   9.903
   83    H    ALA  16           H        ALA  16 -13.870   8.241   7.489
   84    HA   ALA  16           HA       ALA  16 -12.501   9.602   5.336
   85    HB1  ALA  16           1HB      ALA  16 -15.218  10.542   5.821
   86    HB2  ALA  16           2HB      ALA  16 -15.123   8.780   5.845
   87    HB3  ALA  16           3HB      ALA  16 -14.568   9.675   4.430
   88    H    ALA  17           H        ALA  17 -14.065  10.687   8.343
   89    HA   ALA  17           HA       ALA  17 -13.834  13.483   7.905
   90    HB1  ALA  17           1HB      ALA  17 -14.406  13.721  10.137
   91    HB2  ALA  17           2HB      ALA  17 -13.381  12.381  10.649
   92    HB3  ALA  17           3HB      ALA  17 -14.929  12.058   9.869
   93    H    THR  18           H        THR  18 -11.602  11.314   9.681
   94    HA   THR  18           HA       THR  18  -9.534  13.423   9.596
   95    HB   THR  18           HB       THR  18  -8.305  12.059  11.130
   96    HG1  THR  18           1HG      THR  18  -9.508   9.893  11.529
   97   HG21  THR  18          3HG2      THR  18  -9.733  12.343  12.861
   98   HG22  THR  18          1HG2      THR  18 -10.910  11.219  12.181
   99   HG23  THR  18          2HG2      THR  18 -10.888  12.901  11.650
  100    H    CYS  19           H        CYS  19 -10.586  11.021   7.548
  101    HA   CYS  19           HA       CYS  19  -9.594   9.888   5.745
  102    HB2  CYS  19           2HB      CYS  19  -9.145  12.267   5.123
  103    HB3  CYS  19           1HB      CYS  19  -7.596  12.161   5.960
  104    H    LYS  20           H        LYS  20  -8.710   9.201   8.506
  105    HA   LYS  20           HA       LYS  20  -6.079   8.001   7.748
  106    HB2  LYS  20           2HB      LYS  20  -6.784   9.654  10.107
  107    HB3  LYS  20           1HB      LYS  20  -5.825   8.213  10.439
  108    HG2  LYS  20           2HG      LYS  20  -4.699   9.402   8.130
  109    HG3  LYS  20           1HG      LYS  20  -4.977  10.711   9.278
  110    HD2  LYS  20           2HD      LYS  20  -3.785   8.169  10.309
  111    HD3  LYS  20           1HD      LYS  20  -2.751   9.254   9.376
  112    HE2  LYS  20           2HE      LYS  20  -4.234  10.870  11.181
  113    HE3  LYS  20           1HE      LYS  20  -3.601   9.509  12.108
  114    HZ1  LYS  20           3HZ      LYS  20  -1.505  10.203  11.850
  115    HZ2  LYS  20           1HZ      LYS  20  -2.199  11.709  11.494
  116    HZ3  LYS  20           2HZ      LYS  20  -1.737  10.670  10.233
  117    H    LEU  21           H        LEU  21  -5.625   5.970   8.907
  118    HA   LEU  21           HA       LEU  21  -7.633   4.066   8.842
  119    HB2  LEU  21           2HB      LEU  21  -5.100   4.283  10.429
  120    HB3  LEU  21           1HB      LEU  21  -6.204   2.950  10.767
  121    HG   LEU  21           HG       LEU  21  -5.689   3.449   7.899
  122   HD11  LEU  21          1HD1      LEU  21  -3.457   3.796   9.205
  123   HD12  LEU  21          2HD1      LEU  21  -3.468   2.690   7.832
  124   HD13  LEU  21          3HD1      LEU  21  -3.537   2.055   9.476
  125   HD21  LEU  21          3HD2      LEU  21  -6.644   1.390   9.590
  126   HD22  LEU  21          1HD2      LEU  21  -5.140   0.793   8.890
  127   HD23  LEU  21          2HD2      LEU  21  -6.451   1.329   7.838
  128    H    ARG  22           H        ARG  22  -9.522   3.898   9.937
  129    HA   ARG  22           HA       ARG  22  -9.976   5.483  12.351
  130    HB2  ARG  22           2HB      ARG  22 -11.599   4.447  10.329
  131    HB3  ARG  22           1HB      ARG  22 -12.036   3.513  11.760
  132    HG2  ARG  22           2HG      ARG  22 -11.697   6.381  12.296
  133    HG3  ARG  22           1HG      ARG  22 -13.003   6.024  11.165
  134    HD2  ARG  22           2HD      ARG  22 -13.538   4.124  12.966
  135    HD3  ARG  22           1HD      ARG  22 -12.722   5.261  14.038
  136    HE   ARG  22           HE       ARG  22 -14.470   6.924  12.846
  137   HH11  ARG  22          1HH1      ARG  22 -15.872   4.258  12.070
  138   HH12  ARG  22          2HH1      ARG  22 -17.092   4.192  13.298
  139   HH21  ARG  22          1HH2      ARG  22 -15.604   6.616  15.280
  140   HH22  ARG  22          2HH2      ARG  22 -16.941   5.529  15.116
  141    HA   PRO  23           HA       PRO  23 -10.272   1.155  14.340
  142    HB2  PRO  23           2HB      PRO  23  -9.663  -1.019  12.773
  143    HB3  PRO  23           1HB      PRO  23 -11.297  -0.346  12.919
  144    HG2  PRO  23           2HG      PRO  23  -9.379  -0.139  10.648
  145    HG3  PRO  23           1HG      PRO  23 -11.147  -0.038  10.635
  146    HD2  PRO  23           2HD      PRO  23  -9.344   2.149  10.496
  147    HD3  PRO  23           1HD      PRO  23 -11.095   2.247  10.772
  148    H    GLY  24           H        GLY  24  -8.544  -0.945  14.521
  149    HA2  GLY  24           2HA      GLY  24  -5.930   0.407  14.771
  150    HA3  GLY  24           1HA      GLY  24  -6.348  -1.169  15.445
  151    H    ALA  25           H        ALA  25  -6.853  -0.141  12.093
  152    HA   ALA  25           HA       ALA  25  -5.387  -2.513  11.171
  153    HB1  ALA  25           1HB      ALA  25  -6.032  -1.293   8.877
  154    HB2  ALA  25           2HB      ALA  25  -7.174  -0.462   9.934
  155    HB3  ALA  25           3HB      ALA  25  -7.219  -2.219   9.796
  156    H    GLN  26           H        GLN  26  -3.403  -2.469  10.081
  157    HA   GLN  26           HA       GLN  26  -1.707  -0.163  10.593
  158    HB2  GLN  26           2HB      GLN  26  -1.311  -2.891  10.076
  159    HB3  GLN  26           1HB      GLN  26  -0.605  -2.060   8.689
  160    HG2  GLN  26           2HG      GLN  26   1.014  -1.037   9.950
  161    HG3  GLN  26           1HG      GLN  26  -0.030  -0.908  11.364
  162   HE21  GLN  26          1HE2      GLN  26   0.196  -2.499  12.978
  163   HE22  GLN  26          2HE2      GLN  26   1.152  -3.892  12.812
  164    H    CYS  27           H        CYS  27  -3.700  -1.188   7.959
  165    HA   CYS  27           HA       CYS  27  -2.903   1.209   6.443
  166    HB2  CYS  27           2HB      CYS  27  -2.641  -0.263   4.349
  167    HB3  CYS  27           1HB      CYS  27  -1.305  -0.264   5.504
  168    H    GLY  28           H        GLY  28  -4.785   2.104   5.799
  169    HA2  GLY  28           1HA      GLY  28  -7.262   0.631   5.884
  170    HA3  GLY  28           2HA      GLY  28  -7.076   2.284   5.310
  171    H    GLU  29           H        GLU  29  -5.233   1.910   3.261
  172    HA   GLU  29           HA       GLU  29  -6.342  -0.173   1.479
  173    HB2  GLU  29           2HB      GLU  29  -7.703   2.004   1.286
  174    HB3  GLU  29           1HB      GLU  29  -6.258   2.700   0.554
  175    HG2  GLU  29           2HG      GLU  29  -7.813   1.810  -1.161
  176    HG3  GLU  29           1HG      GLU  29  -6.272   0.951  -1.173
  177    H    GLY  30           H        GLY  30  -5.004  -0.364  -0.529
  178    HA2  GLY  30           2HA      GLY  30  -2.743   0.980  -1.279
  179    HA3  GLY  30           1HA      GLY  30  -2.175   0.065   0.118
  180    H    LEU  31           H        LEU  31  -0.778  -0.917  -1.679
  181    HA   LEU  31           HA       LEU  31  -2.233  -2.869  -3.370
  182    HB2  LEU  31           2HB      LEU  31   0.454  -1.624  -3.372
  183    HB3  LEU  31           1HB      LEU  31   0.405  -3.311  -3.885
  184    HG   LEU  31           HG       LEU  31  -1.339  -1.101  -5.011
  185   HD11  LEU  31          1HD1      LEU  31   0.310  -2.207  -6.999
  186   HD12  LEU  31          2HD1      LEU  31   1.368  -1.959  -5.610
  187   HD13  LEU  31          3HD1      LEU  31   0.459  -0.605  -6.278
  188   HD21  LEU  31          3HD2      LEU  31  -1.028  -3.567  -6.545
  189   HD22  LEU  31          1HD2      LEU  31  -2.504  -2.722  -6.077
  190   HD23  LEU  31          2HD2      LEU  31  -1.748  -3.861  -4.962
  191    H    CYS  32           H        CYS  32   0.259  -2.814  -0.816
  192    HA   CYS  32           HA       CYS  32  -0.046  -5.766  -0.556
  193    HB2  CYS  32           2HB      CYS  32   1.983  -3.981   0.806
  194    HB3  CYS  32           1HB      CYS  32   2.025  -5.738   0.669
  195    H    CYS  33           H        CYS  33  -2.237  -4.303   0.383
  196    HA   CYS  33           HA       CYS  33  -1.856  -4.531   3.341
  197    HB2  CYS  33           2HB      CYS  33  -2.322  -2.200   2.643
  198    HB3  CYS  33           1HB      CYS  33  -3.812  -2.734   1.872
  199    H    GLU  34           H        GLU  34  -2.533  -6.661   3.544
  200    HA   GLU  34           HA       GLU  34  -5.194  -7.381   2.424
  201    HB2  GLU  34           2HB      GLU  34  -3.076  -9.142   3.704
  202    HB3  GLU  34           1HB      GLU  34  -4.552  -9.701   2.916
  203    HG2  GLU  34           2HG      GLU  34  -2.673  -7.933   1.388
  204    HG3  GLU  34           1HG      GLU  34  -2.277  -9.643   1.575
  205    H    GLN  35           H        GLN  35  -6.905  -7.727   3.808
  206    HA   GLN  35           HA       GLN  35  -8.096  -7.722   5.825
  207    HB2  GLN  35           2HB      GLN  35  -6.253  -9.617   6.170
  208    HB3  GLN  35           1HB      GLN  35  -5.634  -8.465   7.352
  209    HG2  GLN  35           2HG      GLN  35  -7.529  -8.608   8.691
  210    HG3  GLN  35           1HG      GLN  35  -8.564  -9.099   7.349
  211   HE21  GLN  35          1HE2      GLN  35  -5.433 -10.477   8.487
  212   HE22  GLN  35          2HE2      GLN  35  -6.041 -12.043   8.730
  213    H    CYS  36           H        CYS  36  -6.501  -5.399   4.873
  214    HA   CYS  36           HA       CYS  36  -6.042  -3.228   5.612
  215    HB2  CYS  36           2HB      CYS  36  -7.628  -4.340   7.908
  216    HB3  CYS  36           1HB      CYS  36  -6.814  -2.792   8.074
  217    H    LYS  37           H        LYS  37  -4.260  -5.671   6.208
  218    HA   LYS  37           HA       LYS  37  -2.620  -4.354   8.336
  219    HB2  LYS  37           2HB      LYS  37  -2.326  -7.253   7.587
  220    HB3  LYS  37           1HB      LYS  37  -1.917  -6.453   9.104
  221    HG2  LYS  37           2HG      LYS  37  -4.720  -6.935   8.052
  222    HG3  LYS  37           1HG      LYS  37  -3.949  -7.806   9.378
  223    HD2  LYS  37           2HD      LYS  37  -3.785  -4.933   9.781
  224    HD3  LYS  37           1HD      LYS  37  -5.459  -5.454   9.587
  225    HE2  LYS  37           2HE      LYS  37  -5.001  -5.677  11.915
  226    HE3  LYS  37           1HE      LYS  37  -4.918  -7.315  11.264
  227    HZ1  LYS  37           3HZ      LYS  37  -3.016  -7.066  12.582
  228    HZ2  LYS  37           1HZ      LYS  37  -2.681  -5.515  11.983
  229    HZ3  LYS  37           2HZ      LYS  37  -2.460  -6.876  10.988
  230    H    PHE  38           H        PHE  38  -0.234  -4.693   8.037
  231    HA   PHE  38           HA       PHE  38   0.513  -4.075   5.282
  232    HB2  PHE  38           2HB      PHE  38   1.940  -4.285   7.911
  233    HB3  PHE  38           1HB      PHE  38   2.890  -4.339   6.430
  234    HD1  PHE  38           2HD      PHE  38   1.691  -2.513   4.606
  235    HD2  PHE  38           1HD      PHE  38   2.024  -2.178   8.875
  236    HE1  PHE  38           2HE      PHE  38   1.549  -0.045   4.426
  237    HE2  PHE  38           1HE      PHE  38   1.882   0.291   8.692
  238    HZ   PHE  38           HZ       PHE  38   1.644   1.358   6.467
  239    H    SER  39           H        SER  39   1.041  -5.594   3.766
  240    HA   SER  39           HA       SER  39   1.075  -8.398   4.354
  241    HB2  SER  39           2HB      SER  39   2.376  -7.079   1.954
  242    HB3  SER  39           1HB      SER  39   1.729  -8.713   2.063
  243    HG   SER  39           HG       SER  39  -0.017  -7.793   1.325
  244    H    ARG  40           H        ARG  40   3.768  -8.385   2.544
  245    HA   ARG  40           HA       ARG  40   5.622  -7.951   4.826
  246    HB2  ARG  40           2HB      ARG  40   4.832 -10.520   3.770
  247    HB3  ARG  40           1HB      ARG  40   6.551 -10.257   3.479
  248    HG2  ARG  40           2HG      ARG  40   6.941 -10.772   5.633
  249    HG3  ARG  40           1HG      ARG  40   6.060  -9.315   6.093
  250    HD2  ARG  40           2HD      ARG  40   4.825 -12.042   5.605
  251    HD3  ARG  40           1HD      ARG  40   5.093 -11.303   7.185
  252    HE   ARG  40           HE       ARG  40   3.551  -9.413   6.145
  253   HH11  ARG  40          1HH2      ARG  40   3.139 -11.710   3.990
  254   HH12  ARG  40          2HH2      ARG  40   1.548 -12.221   4.446
  255   HH21  ARG  40          1HH1      ARG  40   1.591 -10.542   7.480
  256   HH22  ARG  40          2HH1      ARG  40   0.672 -11.560   6.423
  257    H    ALA  41           H        ALA  41   7.894  -7.827   4.091
  258    HA   ALA  41           HA       ALA  41   8.136  -6.262   1.684
  259    HB1  ALA  41           1HB      ALA  41   9.619  -6.427   3.929
  260    HB2  ALA  41           2HB      ALA  41  10.274  -5.819   2.408
  261    HB3  ALA  41           3HB      ALA  41  10.567  -7.489   2.888
  262    H    GLY  42           H        GLY  42   9.753  -6.893  -0.079
  263    HA2  GLY  42           2HA      GLY  42  10.469  -8.433  -1.718
  264    HA3  GLY  42           1HA      GLY  42  10.305  -9.704  -0.503
  265    H    LYS  43           H        LYS  43   7.636  -7.583  -1.046
  266    HA   LYS  43           HA       LYS  43   6.113  -9.864  -2.209
  267    HB2  LYS  43           2HB      LYS  43   4.898  -9.205  -0.369
  268    HB3  LYS  43           1HB      LYS  43   5.465  -7.542  -0.455
  269    HG2  LYS  43           2HG      LYS  43   3.720  -6.894  -1.760
  270    HG3  LYS  43           1HG      LYS  43   3.766  -8.365  -2.721
  271    HD2  LYS  43           2HD      LYS  43   2.947  -9.307  -0.267
  272    HD3  LYS  43           1HD      LYS  43   2.147  -7.737  -0.357
  273    HE2  LYS  43           2HE      LYS  43   0.940  -8.313  -2.274
  274    HE3  LYS  43           1HE      LYS  43   2.079  -9.579  -2.730
  275    HZ1  LYS  43           3HZ      LYS  43  -0.236  -9.754  -1.095
  276    HZ2  LYS  43           1HZ      LYS  43   1.131 -10.296  -0.251
  277    HZ3  LYS  43           2HZ      LYS  43   0.720 -11.001  -1.741
  278    H    ILE  44           H        ILE  44   5.836  -9.814  -4.369
  279    HA   ILE  44           HA       ILE  44   6.461  -7.617  -6.051
  280    HB   ILE  44           HB       ILE  44   5.747 -10.287  -6.398
  281   HG12  ILE  44          2HG1      ILE  44   7.407  -9.050  -7.690
  282   HG13  ILE  44          1HG1      ILE  44   6.257  -9.821  -8.783
  283   HG21  ILE  44          1HG2      ILE  44   3.358  -9.713  -6.533
  284   HG22  ILE  44          2HG2      ILE  44   3.957 -10.248  -8.103
  285   HG23  ILE  44          3HG2      ILE  44   3.705  -8.530  -7.795
  286   HD11  ILE  44          3HD1      ILE  44   4.976  -7.658  -8.851
  287   HD12  ILE  44          1HD1      ILE  44   6.594  -7.546  -9.541
  288   HD13  ILE  44          2HD1      ILE  44   6.279  -6.916  -7.924
  289    H    CYS  45           H        CYS  45   5.458  -5.691  -6.030
  290    HA   CYS  45           HA       CYS  45   2.525  -5.617  -5.487
  291    HB2  CYS  45           2HB      CYS  45   2.971  -3.135  -5.147
  292    HB3  CYS  45           1HB      CYS  45   3.724  -4.200  -3.961
  293    H    ARG  46           H        ARG  46   4.923  -5.152  -7.924
  294    HA   ARG  46           HA       ARG  46   2.838  -4.604  -9.888
  295    HB2  ARG  46           2HB      ARG  46   3.849  -2.375  -8.687
  296    HB3  ARG  46           1HB      ARG  46   4.966  -2.557 -10.039
  297    HG2  ARG  46           2HG      ARG  46   3.265  -2.346 -11.641
  298    HG3  ARG  46           1HG      ARG  46   1.998  -2.774 -10.490
  299    HD2  ARG  46           2HD      ARG  46   2.036  -0.659  -9.467
  300    HD3  ARG  46           1HD      ARG  46   3.646  -0.288 -10.083
  301    HE   ARG  46           HE       ARG  46   2.584   0.617 -11.970
  302   HH11  ARG  46          1HH2      ARG  46  -0.019   0.145 -10.239
  303   HH12  ARG  46          2HH2      ARG  46  -1.039  -0.541 -11.459
  304   HH21  ARG  46          1HH1      ARG  46   1.559  -1.123 -13.680
  305   HH22  ARG  46          2HH1      ARG  46  -0.147  -1.258 -13.408
  306    H    ILE  47           H        ILE  47   3.530  -5.056 -12.006
  307    HA   ILE  47           HA       ILE  47   6.096  -6.516 -12.176
  308    HB   ILE  47           HB       ILE  47   4.080  -7.566 -13.123
  309   HG12  ILE  47          2HG1      ILE  47   4.943  -8.024 -15.390
  310   HG13  ILE  47          1HG1      ILE  47   6.007  -6.625 -15.273
  311   HG21  ILE  47          1HG2      ILE  47   3.899  -4.915 -14.490
  312   HG22  ILE  47          2HG2      ILE  47   2.616  -5.921 -13.816
  313   HG23  ILE  47          3HG2      ILE  47   3.337  -6.337 -15.371
  314   HD11  ILE  47          3HD1      ILE  47   7.280  -8.626 -14.731
  315   HD12  ILE  47          1HD1      ILE  47   6.083  -9.101 -13.527
  316   HD13  ILE  47          2HD1      ILE  47   7.078  -7.668 -13.265
  317    H    ALA  48           H        ALA  48   7.472  -6.070 -14.197
  318    HA   ALA  48           HA       ALA  48   7.508  -3.126 -14.682
  319    HB1  ALA  48           1HB      ALA  48   9.716  -3.147 -14.255
  320    HB2  ALA  48           2HB      ALA  48   9.970  -4.455 -15.411
  321    HB3  ALA  48           3HB      ALA  48   9.537  -4.824 -13.741
  322    H    ARG  49           H        ARG  49   8.872  -2.721 -16.821
  323    HA   ARG  49           HA       ARG  49   8.083  -4.623 -18.954
  324    HB2  ARG  49           2HB      ARG  49   7.559  -2.373 -20.278
  325    HB3  ARG  49           1HB      ARG  49   6.311  -3.167 -19.321
  326    HG2  ARG  49           2HG      ARG  49   7.972  -1.360 -17.724
  327    HG3  ARG  49           1HG      ARG  49   7.132  -0.531 -19.035
  328    HD2  ARG  49           2HD      ARG  49   5.681  -2.475 -17.244
  329    HD3  ARG  49           1HD      ARG  49   5.881  -0.785 -16.783
  330    HE   ARG  49           HE       ARG  49   3.985  -1.748 -18.692
  331   HH11  ARG  49          1HH2      ARG  49   4.424   1.021 -17.253
  332   HH12  ARG  49          2HH2      ARG  49   4.448   2.058 -18.640
  333   HH21  ARG  49          1HH1      ARG  49   4.826  -0.542 -20.906
  334   HH22  ARG  49          2HH1      ARG  49   4.676   1.173 -20.709
  335    H    GLY  50           H        GLY  50   9.872  -4.944 -20.232
  336    HA2  GLY  50           2HA      GLY  50  11.869  -4.352 -21.409
  337    HA3  GLY  50           1HA      GLY  50  11.754  -2.738 -20.699
  338    H    ASP  51           H        ASP  51  13.223  -2.319 -19.089
  339    HA   ASP  51           HA       ASP  51  14.977  -4.326 -18.031
  340    HB2  ASP  51           2HB      ASP  51  14.112  -1.611 -17.035
  341    HB3  ASP  51           1HB      ASP  51  15.230  -2.612 -16.115
  342    H    TRP  52           H        TRP  52  14.474  -5.854 -16.424
  343    HA   TRP  52           HA       TRP  52  11.814  -5.409 -15.175
  344    HB2  TRP  52           2HB      TRP  52  13.120  -7.816 -16.312
  345    HB3  TRP  52           1HB      TRP  52  12.010  -8.035 -14.953
  346    HD1  TRP  52           HD       TRP  52   9.681  -6.392 -15.284
  347    HE1  TRP  52           1HE      TRP  52   8.165  -6.340 -17.356
  348    HE3  TRP  52           3HE      TRP  52  12.945  -8.102 -18.799
  349    HZ2  TRP  52           2HZ      TRP  52   8.313  -6.873 -20.111
  350    HZ3  TRP  52           3HZ      TRP  52  12.229  -8.311 -21.169
  351    HH2  TRP  52           HH       TRP  52   9.915  -7.697 -21.834
  352    H    ASN  53           H        ASN  53  11.871  -4.881 -13.190
  353    HA   ASN  53           HA       ASN  53  13.516  -6.389 -11.247
  354    HB2  ASN  53           2HB      ASN  53  13.636  -3.432 -11.770
  355    HB3  ASN  53           1HB      ASN  53  13.753  -3.994 -10.102
  356   HD21  ASN  53          1HD2      ASN  53  15.592  -3.402 -12.895
  357   HD22  ASN  53          2HD2      ASN  53  16.970  -4.300 -12.476
  358    H    ASP  54           H        ASP  54  11.206  -7.221 -11.243
  359    HA   ASP  54           HA       ASP  54   8.871  -5.958 -10.681
  360    HB2  ASP  54           2HB      ASP  54   8.532  -7.907  -8.906
  361    HB3  ASP  54           1HB      ASP  54   8.637  -8.263 -10.630
  362    H    ASP  55           H        ASP  55   8.221  -4.468  -9.266
  363    HA   ASP  55           HA       ASP  55   9.866  -3.584  -7.070
  364    HB2  ASP  55           2HB      ASP  55   8.223  -2.166  -8.381
  365    HB3  ASP  55           1HB      ASP  55   6.929  -2.998  -7.518
  366    H    ARG  56           H        ARG  56  10.088  -4.785  -5.235
  367    HA   ARG  56           HA       ARG  56   7.797  -6.474  -4.360
  368    HB2  ARG  56           2HB      ARG  56  10.632  -6.423  -3.291
  369    HB3  ARG  56           1HB      ARG  56   9.393  -7.634  -2.962
  370    HG2  ARG  56           2HG      ARG  56   9.583  -7.449  -5.778
  371    HG3  ARG  56           1HG      ARG  56  11.238  -7.508  -5.171
  372    HD2  ARG  56           2HD      ARG  56  10.754  -9.530  -3.905
  373    HD3  ARG  56           1HD      ARG  56   9.052  -9.444  -4.357
  374    HE   ARG  56           HE       ARG  56  10.355  -9.526  -6.791
  375   HH11  ARG  56          1HH2      ARG  56   9.981 -11.473  -3.984
  376   HH12  ARG  56          2HH2      ARG  56  10.562 -12.917  -4.740
  377   HH21  ARG  56          1HH1      ARG  56  11.301 -11.363  -7.750
  378   HH22  ARG  56          2HH1      ARG  56  11.311 -12.855  -6.872
  379    H    CYS  57           H        CYS  57   6.573  -5.841  -2.660
  380    HA   CYS  57           HA       CYS  57   6.770  -3.323  -1.438
  381    HB2  CYS  57           2HB      CYS  57   5.247  -5.774  -0.993
  382    HB3  CYS  57           1HB      CYS  57   5.602  -4.935   0.512
  383    H    THR  58           H        THR  58   7.342  -2.826   0.841
  384    HA   THR  58           HA       THR  58   9.863  -4.206   1.572
  385    HB   THR  58           HB       THR  58  10.557  -2.229   2.515
  386    HG1  THR  58           1HG      THR  58   7.828  -1.733   3.104
  387   HG21  THR  58          3HG2      THR  58  10.115  -0.546   1.013
  388   HG22  THR  58          1HG2      THR  58   8.371  -0.798   1.085
  389   HG23  THR  58          2HG2      THR  58   9.379  -1.881   0.126
  390    H    GLY  59           H        GLY  59   6.687  -4.568   2.297
  391    HA2  GLY  59           2HA      GLY  59   5.812  -5.994   4.000
  392    HA3  GLY  59           1HA      GLY  59   7.335  -5.840   4.877
  393    H    GLN  60           H        GLN  60   7.673  -3.231   5.323
  394    HA   GLN  60           HA       GLN  60   5.426  -2.576   7.110
  395    HB2  GLN  60           2HB      GLN  60   7.928  -0.937   6.652
  396    HB3  GLN  60           1HB      GLN  60   6.884  -0.950   8.074
  397    HG2  GLN  60           2HG      GLN  60   7.507  -3.356   8.433
  398    HG3  GLN  60           1HG      GLN  60   8.668  -3.204   7.115
  399   HE21  GLN  60          1HE2      GLN  60   8.317  -2.853  10.477
  400   HE22  GLN  60          2HE2      GLN  60   9.704  -1.920  10.771
  401    H    SER  61           H        SER  61   5.889  -2.132   3.910
  402    HA   SER  61           HA       SER  61   4.635   0.588   3.949
  403    HB2  SER  61           2HB      SER  61   6.249  -0.743   1.755
  404    HB3  SER  61           1HB      SER  61   5.506   0.851   1.648
  405    HG   SER  61           HG       SER  61   7.698   0.973   2.279
  406    H    ALA  62           H        ALA  62   2.768   0.902   2.683
  407    HA   ALA  62           HA       ALA  62   1.493  -1.616   1.694
  408    HB1  ALA  62           1HB      ALA  62  -0.619  -0.044   1.844
  409    HB2  ALA  62           2HB      ALA  62   0.399   0.895   2.936
  410    HB3  ALA  62           3HB      ALA  62   0.021  -0.787   3.310
  411    H    ASP  63           H        ASP  63   2.315   1.718   0.910
  412    HA   ASP  63           HA       ASP  63   1.021   1.562  -1.725
  413    HB2  ASP  63           2HB      ASP  63   2.966   3.668  -0.753
  414    HB3  ASP  63           1HB      ASP  63   1.758   3.821  -2.029
  415    H    CYS  64           H        CYS  64   2.034   0.869  -3.556
  416    HA   CYS  64           HA       CYS  64   4.904   0.131  -3.337
  417    HB2  CYS  64           2HB      CYS  64   3.448  -1.649  -4.112
  418    HB3  CYS  64           1HB      CYS  64   2.766  -0.602  -5.357
  419    HA   PRO  65           HA       PRO  65   5.993   3.583  -5.795
  420    HB2  PRO  65           2HB      PRO  65   8.601   2.817  -6.135
  421    HB3  PRO  65           1HB      PRO  65   7.999   3.573  -4.662
  422    HG2  PRO  65           2HG      PRO  65   8.766   0.746  -5.166
  423    HG3  PRO  65           1HG      PRO  65   8.712   1.637  -3.637
  424    HD2  PRO  65           2HD      PRO  65   6.781  -0.220  -4.554
  425    HD3  PRO  65           1HD      PRO  65   6.603   0.894  -3.183
  426    H    ARG  66           H        ARG  66   7.796   3.533  -7.894
  427    HA   ARG  66           HA       ARG  66   6.896   1.333  -9.689
  428    HB2  ARG  66           2HB      ARG  66   6.549   3.071 -11.497
  429    HB3  ARG  66           1HB      ARG  66   5.362   3.121 -10.192
  430    HG2  ARG  66           2HG      ARG  66   7.762   4.760  -9.703
  431    HG3  ARG  66           1HG      ARG  66   6.789   5.294 -11.073
  432    HD2  ARG  66           2HD      ARG  66   4.831   4.794  -9.255
  433    HD3  ARG  66           1HD      ARG  66   6.139   5.291  -8.182
  434    HE   ARG  66           HE       ARG  66   5.406   7.017 -10.501
  435   HH11  ARG  66          1HH1      ARG  66   3.667   7.105  -7.960
  436   HH12  ARG  66          2HH1      ARG  66   4.378   8.454  -7.136
  437   HH21  ARG  66          1HH2      ARG  66   7.248   8.471  -9.083
  438   HH22  ARG  66          2HH2      ARG  66   6.405   9.228  -7.773
  439    H    TYR  67           H        TYR  67   8.212   1.357 -11.768
  440    HA   TYR  67           HA       TYR  67  10.785   2.754 -11.684
  441    HB2  TYR  67           2HB      TYR  67  10.689  -0.267 -11.419
  442    HB3  TYR  67           1HB      TYR  67  12.146   0.704 -11.625
  443    HD1  TYR  67           2HD      TYR  67  12.712   2.451  -9.854
  444    HD2  TYR  67           1HD      TYR  67   9.727  -0.584  -9.278
  445    HE1  TYR  67           2HE      TYR  67  12.825   2.806  -7.403
  446    HE2  TYR  67           1HE      TYR  67   9.841  -0.229  -6.826
  447    HH   TYR  67           HH       TYR  67  10.936   2.323  -5.388
  448    H    HIS  68           H        HIS  68   8.778   0.216 -13.145
  449    HA   HIS  68           HA       HIS  68   9.764   1.133 -15.812
  450    HB2  HIS  68           2HB      HIS  68   9.061  -1.752 -15.292
  451    HB3  HIS  68           1HB      HIS  68  10.039  -1.069 -16.591
  452    HD1  HIS  68           1HD      HIS  68  10.176  -1.720 -12.855
  453    HD2  HIS  68           2HD      HIS  68  12.761  -0.844 -16.005
  454    HE1  HIS  68           1HE      HIS  68  12.525  -1.943 -11.936
  Start of MODEL   11
    1    H    GLY   1           1HT      GLY   1   3.645  14.938   8.192
    2    HA2  GLY   1           1HA      GLY   1   4.181  15.817   5.537
    3    HA3  GLY   1           2HA      GLY   1   3.827  14.193   6.123
    4    H    LYS   2           H        LYS   2   1.712  13.414   5.951
    5    HA   LYS   2           HA       LYS   2  -0.278  15.293   4.743
    6    HB2  LYS   2           2HB      LYS   2  -1.130  13.370   3.423
    7    HB3  LYS   2           1HB      LYS   2   0.550  13.738   3.032
    8    HG2  LYS   2           2HG      LYS   2   0.880  11.975   5.086
    9    HG3  LYS   2           1HG      LYS   2  -0.598  11.355   4.349
   10    HD2  LYS   2           2HD      LYS   2   0.695  11.634   2.100
   11    HD3  LYS   2           1HD      LYS   2   2.132  11.668   3.122
   12    HE2  LYS   2           2HE      LYS   2   1.228   9.516   4.192
   13    HE3  LYS   2           1HE      LYS   2   0.108   9.445   2.830
   14    HZ1  LYS   2           3HZ      LYS   2   2.599   8.436   2.818
   15    HZ2  LYS   2           1HZ      LYS   2   2.850   9.948   2.092
   16    HZ3  LYS   2           2HZ      LYS   2   1.725   8.863   1.426
   17    H    GLU   3           H        GLU   3  -2.574  14.484   5.076
   18    HA   GLU   3           HA       GLU   3  -2.780  13.124   7.734
   19    HB2  GLU   3           2HB      GLU   3  -3.770  15.668   6.850
   20    HB3  GLU   3           1HB      GLU   3  -5.143  14.613   7.191
   21    HG2  GLU   3           2HG      GLU   3  -4.590  15.681   9.264
   22    HG3  GLU   3           1HG      GLU   3  -3.990  14.026   9.383
   23    H    CYS   4           H        CYS   4  -2.920  12.101   4.841
   24    HA   CYS   4           HA       CYS   4  -5.649  10.893   5.053
   25    HB2  CYS   4           2HB      CYS   4  -4.139  11.995   2.779
   26    HB3  CYS   4           1HB      CYS   4  -4.835  10.406   2.466
   27    H    ASP   5           H        ASP   5  -5.610   8.764   5.575
   28    HA   ASP   5           HA       ASP   5  -3.064   7.270   5.235
   29    HB2  ASP   5           2HB      ASP   5  -4.296   7.318   7.458
   30    HB3  ASP   5           1HB      ASP   5  -5.567   6.369   6.685
   31    H    CYS   6           H        CYS   6  -5.819   7.806   3.483
   32    HA   CYS   6           HA       CYS   6  -5.396   5.325   1.938
   33    HB2  CYS   6           2HB      CYS   6  -7.777   4.739   1.927
   34    HB3  CYS   6           1HB      CYS   6  -7.173   4.753   3.584
   35    H    SER   7           H        SER   7  -6.800   5.453  -0.136
   36    HA   SER   7           HA       SER   7  -6.877   8.313  -1.009
   37    HB2  SER   7           2HB      SER   7  -6.278   7.590  -3.203
   38    HB3  SER   7           1HB      SER   7  -5.208   6.719  -2.108
   39    HG   SER   7           HG       SER   7  -6.520   4.920  -2.311
   40    H    SER   8           H        SER   8  -8.910   5.918  -0.067
   41    HA   SER   8           HA       SER   8 -11.036   6.876  -1.937
   42    HB2  SER   8           2HB      SER   8 -10.724   4.081  -0.804
   43    HB3  SER   8           1HB      SER   8 -12.068   4.633  -1.801
   44    HG   SER   8           HG       SER   8  -9.832   3.626  -2.638
   45    HA   PRO   9           HA       PRO   9 -12.973   7.943   1.902
   46    HB2  PRO   9           2HB      PRO   9 -15.372   8.734   0.821
   47    HB3  PRO   9           1HB      PRO   9 -13.904   9.726   0.781
   48    HG2  PRO   9           2HG      PRO   9 -15.193   8.194  -1.427
   49    HG3  PRO   9           1HG      PRO   9 -14.154   9.625  -1.513
   50    HD2  PRO   9           2HD      PRO   9 -13.356   6.956  -2.037
   51    HD3  PRO   9           1HD      PRO   9 -12.276   8.348  -1.816
   52    H    GLU  10           H        GLU  10 -14.480   5.760  -0.443
   53    HA   GLU  10           HA       GLU  10 -16.598   4.831   1.264
   54    HB2  GLU  10           2HB      GLU  10 -15.830   4.374  -1.359
   55    HB3  GLU  10           1HB      GLU  10 -15.519   2.823  -0.579
   56    HG2  GLU  10           2HG      GLU  10 -17.831   2.918   0.395
   57    HG3  GLU  10           1HG      GLU  10 -18.127   4.366  -0.568
   58    H    ASN  11           H        ASN  11 -13.202   4.260   1.214
   59    HA   ASN  11           HA       ASN  11 -13.211   1.671   2.494
   60    HB2  ASN  11           2HB      ASN  11 -11.218   2.391   1.343
   61    HB3  ASN  11           1HB      ASN  11 -11.124   3.857   2.318
   62   HD21  ASN  11          1HD2      ASN  11  -8.992   3.239   3.158
   63   HD22  ASN  11          2HD2      ASN  11  -8.831   1.999   4.304
   64    HA   PRO  12           HA       PRO  12 -14.445   3.468   6.422
   65    HB2  PRO  12           2HB      PRO  12 -14.920   1.044   7.634
   66    HB3  PRO  12           1HB      PRO  12 -16.080   1.854   6.567
   67    HG2  PRO  12           2HG      PRO  12 -14.354  -0.515   6.010
   68    HG3  PRO  12           1HG      PRO  12 -15.910  -0.066   5.293
   69    HD2  PRO  12           2HD      PRO  12 -13.377   0.291   4.089
   70    HD3  PRO  12           1HD      PRO  12 -14.898   1.040   3.558
   71    H    CYS  13           H        CYS  13 -11.972   1.039   5.826
   72    HA   CYS  13           HA       CYS  13 -10.828   0.757   8.373
   73    HB2  CYS  13           2HB      CYS  13 -10.163  -0.176   5.954
   74    HB3  CYS  13           1HB      CYS  13  -8.985   1.135   6.052
   75    H    CYS  14           H        CYS  14 -10.456   3.392   6.023
   76    HA   CYS  14           HA       CYS  14  -8.787   4.856   8.012
   77    HB2  CYS  14           2HB      CYS  14  -8.143   6.311   6.174
   78    HB3  CYS  14           1HB      CYS  14  -7.935   4.638   5.660
   79    H    ASP  15           H        ASP  15  -9.841   6.306   9.263
   80    HA   ASP  15           HA       ASP  15 -12.562   6.940   9.134
   81    HB2  ASP  15           2HB      ASP  15 -10.705   7.517  10.922
   82    HB3  ASP  15           1HB      ASP  15 -10.626   9.043  10.041
   83    H    ALA  16           H        ALA  16 -13.775   8.267   7.851
   84    HA   ALA  16           HA       ALA  16 -12.503   9.603   5.590
   85    HB1  ALA  16           1HB      ALA  16 -14.780  10.203   4.939
   86    HB2  ALA  16           2HB      ALA  16 -15.386   9.735   6.528
   87    HB3  ALA  16           3HB      ALA  16 -14.745   8.510   5.434
   88    H    ALA  17           H        ALA  17 -13.850  10.550   8.703
   89    HA   ALA  17           HA       ALA  17 -14.097  13.338   8.309
   90    HB1  ALA  17           1HB      ALA  17 -14.612  13.257  10.502
   91    HB2  ALA  17           2HB      ALA  17 -12.962  12.786  10.907
   92    HB3  ALA  17           3HB      ALA  17 -14.157  11.553  10.504
   93    H    THR  18           H        THR  18 -11.260  11.538   9.553
   94    HA   THR  18           HA       THR  18  -9.589  13.917   8.908
   95    HB   THR  18           HB       THR  18  -9.074  13.303  11.101
   96    HG1  THR  18           1HG      THR  18  -7.039  12.829  10.864
   97   HG21  THR  18          3HG2      THR  18 -10.452  11.313  11.240
   98   HG22  THR  18          1HG2      THR  18  -8.831  10.911  11.804
   99   HG23  THR  18          2HG2      THR  18  -9.348  10.428  10.188
  100    H    CYS  19           H        CYS  19 -10.550  11.050   7.513
  101    HA   CYS  19           HA       CYS  19  -9.746   9.867   5.651
  102    HB2  CYS  19           2HB      CYS  19  -9.375  12.145   4.748
  103    HB3  CYS  19           1HB      CYS  19  -7.789  12.183   5.514
  104    H    LYS  20           H        LYS  20  -8.581   9.484   8.412
  105    HA   LYS  20           HA       LYS  20  -6.045   8.193   7.497
  106    HB2  LYS  20           2HB      LYS  20  -6.550   9.896   9.918
  107    HB3  LYS  20           1HB      LYS  20  -5.301   8.650   9.960
  108    HG2  LYS  20           2HG      LYS  20  -5.236  10.287   7.523
  109    HG3  LYS  20           1HG      LYS  20  -4.949  11.212   8.998
  110    HD2  LYS  20           2HD      LYS  20  -3.415   9.019   9.485
  111    HD3  LYS  20           1HD      LYS  20  -3.284   9.119   7.729
  112    HE2  LYS  20           2HE      LYS  20  -2.104  11.071   7.795
  113    HE3  LYS  20           1HE      LYS  20  -3.021  11.694   9.167
  114    HZ1  LYS  20           3HZ      LYS  20  -0.681  11.176   9.694
  115    HZ2  LYS  20           1HZ      LYS  20  -0.990   9.541   9.358
  116    HZ3  LYS  20           2HZ      LYS  20  -1.789  10.307  10.647
  117    H    LEU  21           H        LEU  21  -5.402   6.332   8.864
  118    HA   LEU  21           HA       LEU  21  -7.352   4.377   9.146
  119    HB2  LEU  21           2HB      LEU  21  -4.635   4.789  10.231
  120    HB3  LEU  21           1HB      LEU  21  -5.633   3.655  11.141
  121    HG   LEU  21           HG       LEU  21  -5.624   3.415   8.165
  122   HD11  LEU  21          1HD1      LEU  21  -3.276   3.581   8.459
  123   HD12  LEU  21          2HD1      LEU  21  -3.604   1.849   8.475
  124   HD13  LEU  21          3HD1      LEU  21  -3.326   2.707   9.990
  125   HD21  LEU  21          3HD2      LEU  21  -7.012   1.832   9.169
  126   HD22  LEU  21          1HD2      LEU  21  -5.970   1.667  10.582
  127   HD23  LEU  21          2HD2      LEU  21  -5.501   0.930   9.049
  128    H    ARG  22           H        ARG  22  -9.141   4.318  10.400
  129    HA   ARG  22           HA       ARG  22  -9.341   6.021  12.779
  130    HB2  ARG  22           2HB      ARG  22 -11.178   5.084  10.948
  131    HB3  ARG  22           1HB      ARG  22 -11.483   4.057  12.349
  132    HG2  ARG  22           2HG      ARG  22 -11.187   7.039  12.661
  133    HG3  ARG  22           1HG      ARG  22 -12.736   6.326  12.212
  134    HD2  ARG  22           2HD      ARG  22 -12.226   4.721  14.254
  135    HD3  ARG  22           1HD      ARG  22 -11.196   6.056  14.768
  136    HE   ARG  22           HE       ARG  22 -13.364   7.469  14.452
  137   HH11  ARG  22          1HH1      ARG  22 -12.859   5.292  16.770
  138   HH12  ARG  22          2HH1      ARG  22 -14.504   4.808  17.013
  139   HH21  ARG  22          1HH2      ARG  22 -15.661   6.357  14.135
  140   HH22  ARG  22          2HH2      ARG  22 -16.090   5.410  15.520
  141    HA   PRO  23           HA       PRO  23  -9.569   1.744  14.888
  142    HB2  PRO  23           2HB      PRO  23  -9.103  -0.474  13.334
  143    HB3  PRO  23           1HB      PRO  23 -10.711   0.229  13.579
  144    HG2  PRO  23           2HG      PRO  23  -8.964   0.341  11.173
  145    HG3  PRO  23           1HG      PRO  23 -10.724   0.496  11.288
  146    HD2  PRO  23           2HD      PRO  23  -8.859   2.617  10.979
  147    HD3  PRO  23           1HD      PRO  23 -10.591   2.781  11.341
  148    H    GLY  24           H        GLY  24  -7.861  -0.446  14.860
  149    HA2  GLY  24           2HA      GLY  24  -5.221   0.887  14.987
  150    HA3  GLY  24           1HA      GLY  24  -5.623  -0.673  15.704
  151    H    ALA  25           H        ALA  25  -6.548   0.042  12.413
  152    HA   ALA  25           HA       ALA  25  -5.068  -2.255  11.430
  153    HB1  ALA  25           1HB      ALA  25  -6.931  -0.227  10.302
  154    HB2  ALA  25           2HB      ALA  25  -6.913  -1.978  10.092
  155    HB3  ALA  25           3HB      ALA  25  -5.806  -0.967   9.162
  156    H    GLN  26           H        GLN  26  -3.103  -2.260  10.285
  157    HA   GLN  26           HA       GLN  26  -1.347  -0.005  10.693
  158    HB2  GLN  26           2HB      GLN  26  -1.147  -2.736   9.729
  159    HB3  GLN  26           1HB      GLN  26  -0.211  -1.641   8.712
  160    HG2  GLN  26           2HG      GLN  26   1.394  -1.679  10.292
  161    HG3  GLN  26           1HG      GLN  26   0.286  -0.794  11.342
  162   HE21  GLN  26          1HE2      GLN  26  -1.473  -2.401  12.384
  163   HE22  GLN  26          2HE2      GLN  26  -0.828  -3.840  13.015
  164    H    CYS  27           H        CYS  27  -3.498  -0.958   8.137
  165    HA   CYS  27           HA       CYS  27  -2.931   1.560   6.735
  166    HB2  CYS  27           2HB      CYS  27  -2.603   0.351   4.539
  167    HB3  CYS  27           1HB      CYS  27  -1.266   0.168   5.674
  168    H    GLY  28           H        GLY  28  -4.756   2.258   5.619
  169    HA2  GLY  28           2HA      GLY  28  -7.190   0.651   6.023
  170    HA3  GLY  28           1HA      GLY  28  -7.134   2.311   5.430
  171    H    GLU  29           H        GLU  29  -5.295   1.967   3.315
  172    HA   GLU  29           HA       GLU  29  -6.433  -0.156   1.592
  173    HB2  GLU  29           2HB      GLU  29  -7.897   1.837   1.292
  174    HB3  GLU  29           1HB      GLU  29  -6.483   2.777   0.816
  175    HG2  GLU  29           2HG      GLU  29  -6.963   0.200  -0.611
  176    HG3  GLU  29           1HG      GLU  29  -8.031   1.552  -0.992
  177    H    GLY  30           H        GLY  30  -5.125  -0.447  -0.389
  178    HA2  GLY  30           2HA      GLY  30  -2.893   0.925  -1.235
  179    HA3  GLY  30           1HA      GLY  30  -2.293   0.021   0.154
  180    H    LEU  31           H        LEU  31  -1.064  -0.711  -2.050
  181    HA   LEU  31           HA       LEU  31  -2.535  -2.851  -3.445
  182    HB2  LEU  31           2HB      LEU  31  -0.026  -1.357  -3.842
  183    HB3  LEU  31           1HB      LEU  31   0.085  -3.069  -4.253
  184    HG   LEU  31           HG       LEU  31  -1.949  -1.090  -5.314
  185   HD11  LEU  31          1HD1      LEU  31  -0.615  -2.388  -7.399
  186   HD12  LEU  31          2HD1      LEU  31   0.650  -2.043  -6.220
  187   HD13  LEU  31          3HD1      LEU  31  -0.343  -0.732  -6.857
  188   HD21  LEU  31          3HD2      LEU  31  -2.313  -3.293  -6.813
  189   HD22  LEU  31          1HD2      LEU  31  -3.218  -3.016  -5.325
  190   HD23  LEU  31          2HD2      LEU  31  -1.805  -4.071  -5.315
  191    H    CYS  32           H        CYS  32   0.228  -2.549  -1.215
  192    HA   CYS  32           HA       CYS  32   0.229  -5.514  -0.922
  193    HB2  CYS  32           2HB      CYS  32   2.236  -3.682   0.365
  194    HB3  CYS  32           1HB      CYS  32   2.432  -5.352  -0.163
  195    H    CYS  33           H        CYS  33  -1.956  -4.819   0.269
  196    HA   CYS  33           HA       CYS  33  -1.301  -4.938   3.149
  197    HB2  CYS  33           2HB      CYS  33  -2.440  -2.595   1.815
  198    HB3  CYS  33           1HB      CYS  33  -3.457  -3.189   3.128
  199    H    GLU  34           H        GLU  34  -2.418  -6.665   3.866
  200    HA   GLU  34           HA       GLU  34  -5.085  -7.220   2.629
  201    HB2  GLU  34           2HB      GLU  34  -3.297  -9.263   3.965
  202    HB3  GLU  34           1HB      GLU  34  -4.693  -9.559   2.927
  203    HG2  GLU  34           2HG      GLU  34  -2.530  -7.927   1.724
  204    HG3  GLU  34           1HG      GLU  34  -2.131  -9.619   2.028
  205    H    GLN  35           H        GLN  35  -6.807  -7.363   4.031
  206    HA   GLN  35           HA       GLN  35  -7.988  -7.320   6.060
  207    HB2  GLN  35           2HB      GLN  35  -6.069  -9.217   6.438
  208    HB3  GLN  35           1HB      GLN  35  -5.637  -8.065   7.703
  209    HG2  GLN  35           2HG      GLN  35  -7.368  -8.750   8.965
  210    HG3  GLN  35           1HG      GLN  35  -8.496  -8.396   7.657
  211   HE21  GLN  35          1HE2      GLN  35  -8.887 -10.160   6.051
  212   HE22  GLN  35          2HE2      GLN  35  -8.617 -11.776   6.494
  213    H    CYS  36           H        CYS  36  -6.500  -5.013   5.066
  214    HA   CYS  36           HA       CYS  36  -5.965  -2.849   5.788
  215    HB2  CYS  36           2HB      CYS  36  -7.416  -3.983   8.163
  216    HB3  CYS  36           1HB      CYS  36  -6.593  -2.435   8.301
  217    H    LYS  37           H        LYS  37  -4.285  -5.456   6.489
  218    HA   LYS  37           HA       LYS  37  -2.474  -4.110   8.444
  219    HB2  LYS  37           2HB      LYS  37  -2.876  -7.014   7.704
  220    HB3  LYS  37           1HB      LYS  37  -1.465  -6.463   8.609
  221    HG2  LYS  37           2HG      LYS  37  -3.276  -5.278  10.121
  222    HG3  LYS  37           1HG      LYS  37  -4.347  -6.501   9.437
  223    HD2  LYS  37           2HD      LYS  37  -3.149  -8.272  10.383
  224    HD3  LYS  37           1HD      LYS  37  -1.678  -7.315  10.552
  225    HE2  LYS  37           2HE      LYS  37  -2.279  -6.599  12.606
  226    HE3  LYS  37           1HE      LYS  37  -3.890  -6.150  12.047
  227    HZ1  LYS  37           3HZ      LYS  37  -4.035  -8.822  12.023
  228    HZ2  LYS  37           1HZ      LYS  37  -4.530  -7.856  13.325
  229    HZ3  LYS  37           2HZ      LYS  37  -2.991  -8.575  13.342
  230    H    PHE  38           H        PHE  38  -0.103  -4.512   8.011
  231    HA   PHE  38           HA       PHE  38   0.487  -3.786   5.251
  232    HB2  PHE  38           2HB      PHE  38   2.101  -4.181   7.755
  233    HB3  PHE  38           1HB      PHE  38   2.918  -4.058   6.197
  234    HD1  PHE  38           2HD      PHE  38   1.209  -2.136   4.751
  235    HD2  PHE  38           1HD      PHE  38   2.524  -2.139   8.839
  236    HE1  PHE  38           2HE      PHE  38   0.980   0.332   4.827
  237    HE2  PHE  38           1HE      PHE  38   2.297   0.328   8.916
  238    HZ   PHE  38           HZ       PHE  38   1.523   1.564   6.911
  239    H    SER  39           H        SER  39   1.014  -5.180   3.644
  240    HA   SER  39           HA       SER  39   0.900  -8.012   3.942
  241    HB2  SER  39           2HB      SER  39   1.901  -8.067   1.660
  242    HB3  SER  39           1HB      SER  39   0.607  -6.875   1.766
  243    HG   SER  39           HG       SER  39   2.142  -5.270   1.969
  244    H    ARG  40           H        ARG  40   3.249  -8.935   2.643
  245    HA   ARG  40           HA       ARG  40   5.278  -8.398   4.774
  246    HB2  ARG  40           2HB      ARG  40   6.160 -10.719   3.908
  247    HB3  ARG  40           1HB      ARG  40   4.777 -10.676   5.001
  248    HG2  ARG  40           2HG      ARG  40   3.242 -10.797   3.077
  249    HG3  ARG  40           1HG      ARG  40   4.619 -10.826   1.976
  250    HD2  ARG  40           2HD      ARG  40   4.843 -12.843   4.078
  251    HD3  ARG  40           1HD      ARG  40   3.391 -13.056   3.099
  252    HE   ARG  40           HE       ARG  40   5.163 -12.791   1.129
  253   HH11  ARG  40          1HH2      ARG  40   4.516 -15.554   2.168
  254   HH12  ARG  40          2HH2      ARG  40   6.097 -16.189   2.481
  255   HH21  ARG  40          1HH1      ARG  40   7.648 -13.090   2.398
  256   HH22  ARG  40          2HH1      ARG  40   7.871 -14.794   2.609
  257    H    ALA  41           H        ALA  41   7.568  -8.534   3.991
  258    HA   ALA  41           HA       ALA  41   7.899  -6.983   1.572
  259    HB1  ALA  41           1HB      ALA  41   9.435  -7.381   3.780
  260    HB2  ALA  41           2HB      ALA  41  10.069  -6.746   2.261
  261    HB3  ALA  41           3HB      ALA  41  10.241  -8.460   2.641
  262    H    GLY  42           H        GLY  42   9.256  -7.742  -0.293
  263    HA2  GLY  42           2HA      GLY  42   9.828  -9.392  -1.909
  264    HA3  GLY  42           1HA      GLY  42   9.376 -10.637  -0.745
  265    H    LYS  43           H        LYS  43   7.261  -7.945  -1.390
  266    HA   LYS  43           HA       LYS  43   5.315  -9.855  -2.619
  267    HB2  LYS  43           2HB      LYS  43   4.439  -8.855  -0.622
  268    HB3  LYS  43           1HB      LYS  43   4.971  -7.254  -1.116
  269    HG2  LYS  43           2HG      LYS  43   2.769  -7.077  -1.743
  270    HG3  LYS  43           1HG      LYS  43   3.386  -7.817  -3.209
  271    HD2  LYS  43           2HD      LYS  43   2.429  -9.856  -2.761
  272    HD3  LYS  43           1HD      LYS  43   2.604  -9.666  -1.016
  273    HE2  LYS  43           2HE      LYS  43   0.217  -9.562  -1.841
  274    HE3  LYS  43           1HE      LYS  43   0.730  -8.151  -0.917
  275    HZ1  LYS  43           3HZ      LYS  43  -0.426  -7.473  -2.905
  276    HZ2  LYS  43           1HZ      LYS  43   0.637  -8.369  -3.877
  277    HZ3  LYS  43           2HZ      LYS  43   1.208  -7.022  -3.015
  278    H    ILE  44           H        ILE  44   5.038  -9.675  -4.770
  279    HA   ILE  44           HA       ILE  44   6.146  -7.456  -6.273
  280    HB   ILE  44           HB       ILE  44   6.172  -9.580  -7.350
  281   HG12  ILE  44          2HG1      ILE  44   4.649  -9.228  -9.336
  282   HG13  ILE  44          1HG1      ILE  44   3.935  -7.865  -8.475
  283   HG21  ILE  44          1HG2      ILE  44   3.527 -10.349  -7.755
  284   HG22  ILE  44          2HG2      ILE  44   3.555  -9.795  -6.081
  285   HG23  ILE  44          3HG2      ILE  44   4.652 -11.072  -6.607
  286   HD11  ILE  44          3HD1      ILE  44   5.706  -6.524  -8.912
  287   HD12  ILE  44          1HD1      ILE  44   6.153  -7.727 -10.122
  288   HD13  ILE  44          2HD1      ILE  44   6.866  -7.789  -8.511
  289    H    CYS  45           H        CYS  45   5.113  -5.505  -5.981
  290    HA   CYS  45           HA       CYS  45   2.165  -5.398  -5.836
  291    HB2  CYS  45           2HB      CYS  45   2.583  -2.919  -5.625
  292    HB3  CYS  45           1HB      CYS  45   3.338  -3.896  -4.371
  293    H    ARG  46           H        ARG  46   4.741  -4.791  -8.120
  294    HA   ARG  46           HA       ARG  46   2.729  -4.490 -10.253
  295    HB2  ARG  46           2HB      ARG  46   4.874  -2.385  -9.850
  296    HB3  ARG  46           1HB      ARG  46   3.623  -2.395 -11.094
  297    HG2  ARG  46           2HG      ARG  46   1.881  -2.209  -9.371
  298    HG3  ARG  46           1HG      ARG  46   3.110  -2.250  -8.107
  299    HD2  ARG  46           2HD      ARG  46   3.698  -0.078  -8.438
  300    HD3  ARG  46           1HD      ARG  46   3.579  -0.216 -10.192
  301    HE   ARG  46           HE       ARG  46   0.942  -0.297  -9.159
  302   HH11  ARG  46          1HH2      ARG  46   1.700   1.627 -11.262
  303   HH12  ARG  46          2HH2      ARG  46   1.608   3.152 -10.447
  304   HH21  ARG  46          1HH1      ARG  46   1.664   1.761  -7.271
  305   HH22  ARG  46          2HH1      ARG  46   1.587   3.228  -8.189
  306    H    ILE  47           H        ILE  47   3.464  -5.341 -12.162
  307    HA   ILE  47           HA       ILE  47   6.020  -6.748 -12.126
  308    HB   ILE  47           HB       ILE  47   3.899  -7.615 -13.204
  309   HG12  ILE  47          2HG1      ILE  47   5.706  -7.590 -15.494
  310   HG13  ILE  47          1HG1      ILE  47   6.570  -7.877 -13.983
  311   HG21  ILE  47          1HG2      ILE  47   3.556  -5.224 -14.259
  312   HG22  ILE  47          2HG2      ILE  47   3.052  -6.657 -15.154
  313   HG23  ILE  47          3HG2      ILE  47   4.577  -5.863 -15.548
  314   HD11  ILE  47          3HD1      ILE  47   4.188  -9.423 -15.035
  315   HD12  ILE  47          1HD1      ILE  47   4.867  -9.638 -13.421
  316   HD13  ILE  47          2HD1      ILE  47   5.837 -10.019 -14.844
  317    H    ALA  48           H        ALA  48   7.815  -6.303 -13.499
  318    HA   ALA  48           HA       ALA  48   8.250  -3.498 -14.081
  319    HB1  ALA  48           1HB      ALA  48  10.108  -5.189 -15.487
  320    HB2  ALA  48           2HB      ALA  48   9.849  -5.835 -13.866
  321    HB3  ALA  48           3HB      ALA  48  10.399  -4.172 -14.075
  322    H    ARG  49           H        ARG  49   7.750  -2.430 -15.938
  323    HA   ARG  49           HA       ARG  49   6.606  -3.991 -18.175
  324    HB2  ARG  49           2HB      ARG  49   6.828  -0.982 -17.921
  325    HB3  ARG  49           1HB      ARG  49   5.746  -1.895 -18.975
  326    HG2  ARG  49           2HG      ARG  49   5.678  -2.086 -15.954
  327    HG3  ARG  49           1HG      ARG  49   4.653  -0.990 -16.882
  328    HD2  ARG  49           2HD      ARG  49   3.710  -2.899 -18.118
  329    HD3  ARG  49           1HD      ARG  49   4.751  -4.003 -17.219
  330    HE   ARG  49           HE       ARG  49   3.494  -3.186 -15.148
  331   HH11  ARG  49          1HH1      ARG  49   1.919  -4.951 -17.148
  332   HH12  ARG  49          2HH1      ARG  49   0.396  -4.126 -17.152
  333   HH21  ARG  49          1HH2      ARG  49   1.644  -1.255 -15.660
  334   HH22  ARG  49          2HH2      ARG  49   0.241  -2.034 -16.311
  335    H    GLY  50           H        GLY  50   8.590  -4.891 -19.020
  336    HA2  GLY  50           2HA      GLY  50   9.774  -3.949 -21.201
  337    HA3  GLY  50           1HA      GLY  50  10.598  -2.947 -20.015
  338    H    ASP  51           H        ASP  51  11.147  -4.597 -17.985
  339    HA   ASP  51           HA       ASP  51  11.903  -7.224 -18.304
  340    HB2  ASP  51           2HB      ASP  51  13.481  -5.489 -20.039
  341    HB3  ASP  51           1HB      ASP  51  14.487  -6.452 -18.956
  342    H    TRP  52           H        TRP  52  13.371  -4.124 -17.415
  343    HA   TRP  52           HA       TRP  52  15.196  -4.847 -15.489
  344    HB2  TRP  52           2HB      TRP  52  14.121  -2.800 -14.145
  345    HB3  TRP  52           1HB      TRP  52  15.059  -2.556 -15.616
  346    HD1  TRP  52           HD       TRP  52  11.462  -2.625 -14.327
  347    HE1  TRP  52           1HE      TRP  52   9.951  -1.445 -16.045
  348    HE3  TRP  52           3HE      TRP  52  14.811  -1.936 -18.108
  349    HZ2  TRP  52           2HZ      TRP  52  10.141  -0.348 -18.685
  350    HZ3  TRP  52           3HZ      TRP  52  14.124  -0.828 -20.215
  351    HH2  TRP  52           HH       TRP  52  11.794  -0.035 -20.508
  352    H    ASN  53           H        ASN  53  14.950  -4.824 -13.055
  353    HA   ASN  53           HA       ASN  53  13.439  -6.979 -12.125
  354    HB2  ASN  53           2HB      ASN  53  13.969  -4.584 -10.367
  355    HB3  ASN  53           1HB      ASN  53  13.997  -6.293  -9.933
  356   HD21  ASN  53          1HD2      ASN  53  15.593  -7.270 -12.117
  357   HD22  ASN  53          2HD2      ASN  53  17.158  -6.633 -11.956
  358    H    ASP  54           H        ASP  54  11.530  -6.963 -10.655
  359    HA   ASP  54           HA       ASP  54   9.472  -5.100 -11.700
  360    HB2  ASP  54           2HB      ASP  54   8.905  -7.345  -9.782
  361    HB3  ASP  54           1HB      ASP  54   7.879  -6.688 -11.057
  362    H    ASP  55           H        ASP  55   7.708  -5.102  -9.527
  363    HA   ASP  55           HA       ASP  55   9.227  -3.392  -7.620
  364    HB2  ASP  55           2HB      ASP  55   6.224  -3.631  -7.964
  365    HB3  ASP  55           1HB      ASP  55   7.093  -2.393  -7.056
  366    H    ARG  56           H        ARG  56   9.235  -3.872  -5.414
  367    HA   ARG  56           HA       ARG  56   7.765  -6.329  -4.547
  368    HB2  ARG  56           2HB      ARG  56  10.315  -6.578  -5.052
  369    HB3  ARG  56           1HB      ARG  56  10.527  -5.685  -3.546
  370    HG2  ARG  56           2HG      ARG  56  10.376  -7.721  -2.560
  371    HG3  ARG  56           1HG      ARG  56   8.642  -7.540  -2.827
  372    HD2  ARG  56           2HD      ARG  56   8.689  -9.345  -4.168
  373    HD3  ARG  56           1HD      ARG  56   9.752  -8.469  -5.267
  374    HE   ARG  56           HE       ARG  56  10.592 -10.674  -3.779
  375   HH11  ARG  56          1HH1      ARG  56  12.479  -9.414  -5.623
  376   HH12  ARG  56          2HH1      ARG  56  13.683  -8.745  -4.572
  377   HH21  ARG  56          1HH2      ARG  56  11.690  -8.919  -1.741
  378   HH22  ARG  56          2HH2      ARG  56  13.236  -8.464  -2.376
  379    H    CYS  57           H        CYS  57   6.494  -5.830  -2.851
  380    HA   CYS  57           HA       CYS  57   6.689  -3.302  -1.476
  381    HB2  CYS  57           2HB      CYS  57   5.289  -5.681  -0.280
  382    HB3  CYS  57           1HB      CYS  57   4.816  -3.988  -0.247
  383    H    THR  58           H        THR  58   7.529  -2.886   0.605
  384    HA   THR  58           HA       THR  58   9.731  -4.626   1.399
  385    HB   THR  58           HB       THR  58  10.437  -2.863   2.739
  386    HG1  THR  58           1HG      THR  58   8.818  -2.635   4.154
  387   HG21  THR  58          3HG2      THR  58   9.568  -2.219   0.233
  388   HG22  THR  58          1HG2      THR  58  10.450  -1.114   1.286
  389   HG23  THR  58          2HG2      THR  58   8.690  -1.041   1.208
  390    H    GLY  59           H        GLY  59   6.470  -4.757   2.002
  391    HA2  GLY  59           2HA      GLY  59   5.415  -6.329   3.460
  392    HA3  GLY  59           1HA      GLY  59   6.934  -6.484   4.349
  393    H    GLN  60           H        GLN  60   7.017  -3.400   4.321
  394    HA   GLN  60           HA       GLN  60   5.114  -3.028   6.595
  395    HB2  GLN  60           2HB      GLN  60   7.841  -1.834   6.038
  396    HB3  GLN  60           1HB      GLN  60   6.744  -1.166   7.247
  397    HG2  GLN  60           2HG      GLN  60   6.628  -3.676   8.073
  398    HG3  GLN  60           1HG      GLN  60   8.179  -3.796   7.241
  399   HE21  GLN  60          1HE2      GLN  60   9.824  -3.541   8.757
  400   HE22  GLN  60          2HE2      GLN  60   9.827  -2.392  10.008
  401    H    SER  61           H        SER  61   5.765  -2.177   3.400
  402    HA   SER  61           HA       SER  61   4.409   0.468   3.695
  403    HB2  SER  61           2HB      SER  61   5.901  -0.689   1.320
  404    HB3  SER  61           1HB      SER  61   5.226   0.935   1.424
  405    HG   SER  61           HG       SER  61   7.115   1.397   2.234
  406    H    ALA  62           H        ALA  62   2.439   0.833   2.660
  407    HA   ALA  62           HA       ALA  62   1.100  -1.599   1.588
  408    HB1  ALA  62           1HB      ALA  62  -0.030  -0.369   3.425
  409    HB2  ALA  62           2HB      ALA  62  -0.993  -0.363   1.949
  410    HB3  ALA  62           3HB      ALA  62  -0.081   1.073   2.411
  411    H    ASP  63           H        ASP  63   1.683   1.828   0.788
  412    HA   ASP  63           HA       ASP  63   0.498   1.531  -1.870
  413    HB2  ASP  63           2HB      ASP  63   1.998   3.728  -0.447
  414    HB3  ASP  63           1HB      ASP  63   1.628   3.847  -2.168
  415    H    CYS  64           H        CYS  64   1.563   0.703  -3.603
  416    HA   CYS  64           HA       CYS  64   4.412   0.064  -3.385
  417    HB2  CYS  64           2HB      CYS  64   2.989  -1.555  -4.472
  418    HB3  CYS  64           1HB      CYS  64   2.394  -0.348  -5.608
  419    HA   PRO  65           HA       PRO  65   5.459   3.960  -5.234
  420    HB2  PRO  65           2HB      PRO  65   8.104   3.727  -4.572
  421    HB3  PRO  65           1HB      PRO  65   6.872   4.301  -3.447
  422    HG2  PRO  65           2HG      PRO  65   8.321   1.713  -3.504
  423    HG3  PRO  65           1HG      PRO  65   7.492   2.504  -2.152
  424    HD2  PRO  65           2HD      PRO  65   6.511   0.339  -3.726
  425    HD3  PRO  65           1HD      PRO  65   5.614   1.259  -2.500
  426    H    ARG  66           H        ARG  66   8.010   4.246  -6.392
  427    HA   ARG  66           HA       ARG  66   8.063   2.125  -8.501
  428    HB2  ARG  66           2HB      ARG  66   7.653   5.029  -8.748
  429    HB3  ARG  66           1HB      ARG  66   8.931   4.404  -9.792
  430    HG2  ARG  66           2HG      ARG  66   7.265   3.815 -11.205
  431    HG3  ARG  66           1HG      ARG  66   6.935   2.507 -10.067
  432    HD2  ARG  66           2HD      ARG  66   4.860   3.681 -10.424
  433    HD3  ARG  66           1HD      ARG  66   5.431   4.106  -8.810
  434    HE   ARG  66           HE       ARG  66   5.490   6.326  -9.568
  435   HH11  ARG  66          1HH1      ARG  66   3.905   5.854 -12.002
  436   HH12  ARG  66          2HH1      ARG  66   4.985   6.323 -13.272
  437   HH21  ARG  66          1HH2      ARG  66   7.817   6.193 -11.275
  438   HH22  ARG  66          2HH2      ARG  66   7.198   6.518 -12.860
  439    H    TYR  67           H        TYR  67  10.186   1.800  -9.457
  440    HA   TYR  67           HA       TYR  67  12.391   2.808  -7.706
  441    HB2  TYR  67           2HB      TYR  67  12.508   0.348  -9.460
  442    HB3  TYR  67           1HB      TYR  67  13.571   0.780  -8.120
  443    HD1  TYR  67           1HD      TYR  67   9.986   0.020  -8.896
  444    HD2  TYR  67           2HD      TYR  67  13.120  -0.017  -5.958
  445    HE1  TYR  67           1HE      TYR  67   8.498  -1.188  -7.324
  446    HE2  TYR  67           2HE      TYR  67  11.631  -1.226  -4.385
  447    HH   TYR  67           HH       TYR  67   9.232  -1.554  -4.012
  448    H    HIS  68           H        HIS  68  11.197   2.555 -10.968
  449    HA   HIS  68           HA       HIS  68  13.765   3.580 -12.056
  450    HB2  HIS  68           2HB      HIS  68  11.282   2.997 -13.667
  451    HB3  HIS  68           1HB      HIS  68  12.965   2.979 -14.195
  452    HD1  HIS  68           1HD      HIS  68  14.106   1.263 -11.835
  453    HD2  HIS  68           2HD      HIS  68  10.720   0.276 -14.058
  454    HE1  HIS  68           1HE      HIS  68  13.802  -1.241 -11.603
  Start of MODEL   12
    1    H    GLY   1           1HT      GLY   1  -0.643  17.757  12.009
    2    HA2  GLY   1           1HA      GLY   1   0.196  19.415   9.748
    3    HA3  GLY   1           2HA      GLY   1   0.711  17.789  10.197
    4    H    LYS   2           H        LYS   2  -0.036  16.251   8.826
    5    HA   LYS   2           HA       LYS   2  -2.433  16.851   7.182
    6    HB2  LYS   2           2HB      LYS   2  -0.190  14.849   6.997
    7    HB3  LYS   2           1HB      LYS   2  -1.682  14.605   6.088
    8    HG2  LYS   2           2HG      LYS   2   0.142  17.023   5.942
    9    HG3  LYS   2           1HG      LYS   2  -0.089  15.807   4.687
   10    HD2  LYS   2           2HD      LYS   2  -2.660  16.532   5.064
   11    HD3  LYS   2           1HD      LYS   2  -1.868  18.046   5.500
   12    HE2  LYS   2           2HE      LYS   2  -1.929  18.416   3.247
   13    HE3  LYS   2           1HE      LYS   2  -0.478  17.413   3.256
   14    HZ1  LYS   2           3HZ      LYS   2  -1.564  16.006   1.957
   15    HZ2  LYS   2           1HZ      LYS   2  -3.015  16.870   2.118
   16    HZ3  LYS   2           2HZ      LYS   2  -2.614  15.667   3.249
   17    H    GLU   3           H        GLU   3  -4.320  15.654   7.335
   18    HA   GLU   3           HA       GLU   3  -4.374  13.495   9.410
   19    HB2  GLU   3           2HB      GLU   3  -6.732  14.255   9.877
   20    HB3  GLU   3           1HB      GLU   3  -5.500  15.436  10.324
   21    HG2  GLU   3           2HG      GLU   3  -5.912  16.746   8.363
   22    HG3  GLU   3           1HG      GLU   3  -6.898  15.475   7.642
   23    H    CYS   4           H        CYS   4  -4.095  13.416   6.422
   24    HA   CYS   4           HA       CYS   4  -6.478  11.691   5.905
   25    HB2  CYS   4           2HB      CYS   4  -5.171  13.703   4.059
   26    HB3  CYS   4           1HB      CYS   4  -6.239  12.436   3.470
   27    H    ASP   5           H        ASP   5  -5.230   9.850   6.443
   28    HA   ASP   5           HA       ASP   5  -2.669   9.320   5.166
   29    HB2  ASP   5           2HB      ASP   5  -3.222   8.345   7.358
   30    HB3  ASP   5           1HB      ASP   5  -4.577   7.475   6.640
   31    H    CYS   6           H        CYS   6  -5.948   9.024   4.222
   32    HA   CYS   6           HA       CYS   6  -5.083   7.487   1.820
   33    HB2  CYS   6           2HB      CYS   6  -7.006   6.046   1.919
   34    HB3  CYS   6           1HB      CYS   6  -6.242   5.983   3.506
   35    H    SER   7           H        SER   7  -6.356   7.968  -0.071
   36    HA   SER   7           HA       SER   7  -7.809  10.559   0.158
   37    HB2  SER   7           2HB      SER   7  -7.370   9.620  -2.554
   38    HB3  SER   7           1HB      SER   7  -6.828  11.113  -1.793
   39    HG   SER   7           HG       SER   7  -4.953  10.223  -1.407
   40    H    SER   8           H        SER   8  -8.504   7.321   0.105
   41    HA   SER   8           HA       SER   8 -10.964   7.668  -1.537
   42    HB2  SER   8           2HB      SER   8  -9.751   5.136  -0.400
   43    HB3  SER   8           1HB      SER   8 -11.117   5.227  -1.506
   44    HG   SER   8           HG       SER   8  -8.647   5.020  -2.180
   45    HA   PRO   9           HA       PRO   9 -12.949   8.001   2.476
   46    HB2  PRO   9           2HB      PRO   9 -15.390   8.754   1.457
   47    HB3  PRO   9           1HB      PRO   9 -14.037   9.875   1.691
   48    HG2  PRO   9           2HG      PRO   9 -15.079   8.693  -0.843
   49    HG3  PRO   9           1HG      PRO   9 -14.222  10.223  -0.586
   50    HD2  PRO   9           2HD      PRO   9 -13.082   7.846  -1.604
   51    HD3  PRO   9           1HD      PRO   9 -12.185   9.261  -1.011
   52    H    GLU  10           H        GLU  10 -13.858   6.041  -0.262
   53    HA   GLU  10           HA       GLU  10 -15.901   4.554   1.271
   54    HB2  GLU  10           2HB      GLU  10 -15.717   5.095  -1.374
   55    HB3  GLU  10           1HB      GLU  10 -14.925   3.518  -1.337
   56    HG2  GLU  10           2HG      GLU  10 -17.009   2.640  -1.382
   57    HG3  GLU  10           1HG      GLU  10 -17.125   3.147   0.305
   58    H    ASN  11           H        ASN  11 -12.832   4.643   1.747
   59    HA   ASN  11           HA       ASN  11 -12.163   1.782   1.440
   60    HB2  ASN  11           2HB      ASN  11 -10.551   3.744   1.008
   61    HB3  ASN  11           1HB      ASN  11 -10.471   3.906   2.762
   62   HD21  ASN  11          1HD2      ASN  11  -8.328   3.012   0.830
   63   HD22  ASN  11          2HD2      ASN  11  -7.846   1.481   1.381
   64    HA   PRO  12           HA       PRO  12 -13.628   1.142   5.611
   65    HB2  PRO  12           2HB      PRO  12 -13.048  -1.548   5.675
   66    HB3  PRO  12           1HB      PRO  12 -14.488  -0.871   4.895
   67    HG2  PRO  12           2HG      PRO  12 -11.994  -1.931   3.641
   68    HG3  PRO  12           1HG      PRO  12 -13.640  -1.869   2.989
   69    HD2  PRO  12           2HD      PRO  12 -11.549  -0.103   2.317
   70    HD3  PRO  12           1HD      PRO  12 -13.273   0.164   1.990
   71    H    CYS  13           H        CYS  13 -10.438   0.620   4.383
   72    HA   CYS  13           HA       CYS  13  -9.240  -0.202   6.908
   73    HB2  CYS  13           2HB      CYS  13  -8.046   0.877   4.337
   74    HB3  CYS  13           1HB      CYS  13  -7.088   0.314   5.706
   75    H    CYS  14           H        CYS  14  -9.984   2.831   5.321
   76    HA   CYS  14           HA       CYS  14  -8.822   4.253   7.680
   77    HB2  CYS  14           2HB      CYS  14  -8.062   6.045   6.267
   78    HB3  CYS  14           1HB      CYS  14  -7.460   4.542   5.570
   79    H    ASP  15           H        ASP  15  -9.924   6.181   8.286
   80    HA   ASP  15           HA       ASP  15 -12.811   6.056   7.846
   81    HB2  ASP  15           2HB      ASP  15 -11.446   6.711  10.001
   82    HB3  ASP  15           1HB      ASP  15 -11.417   8.306   9.254
   83    H    ALA  16           H        ALA  16 -14.045   7.592   6.711
   84    HA   ALA  16           HA       ALA  16 -12.623   9.109   4.655
   85    HB1  ALA  16           1HB      ALA  16 -15.580   9.122   5.337
   86    HB2  ALA  16           2HB      ALA  16 -14.817   7.967   4.244
   87    HB3  ALA  16           3HB      ALA  16 -14.843   9.682   3.836
   88    H    ALA  17           H        ALA  17 -14.693   9.922   7.452
   89    HA   ALA  17           HA       ALA  17 -14.607  12.737   7.181
   90    HB1  ALA  17           1HB      ALA  17 -14.491  11.399   9.878
   91    HB2  ALA  17           2HB      ALA  17 -15.927  11.248   8.865
   92    HB3  ALA  17           3HB      ALA  17 -15.387  12.840   9.398
   93    H    THR  18           H        THR  18 -12.345  10.540   8.850
   94    HA   THR  18           HA       THR  18 -10.501  12.854   9.224
   95    HB   THR  18           HB       THR  18  -9.313  11.415  10.825
   96    HG1  THR  18           1HG      THR  18  -9.765   9.436   9.775
   97   HG21  THR  18          3HG2      THR  18 -11.835  10.827  11.991
   98   HG22  THR  18          1HG2      THR  18 -12.025  12.317  11.066
   99   HG23  THR  18          2HG2      THR  18 -10.789  12.208  12.319
  100    H    CYS  19           H        CYS  19 -11.097  10.778   6.862
  101    HA   CYS  19           HA       CYS  19  -9.797   9.515   5.327
  102    HB2  CYS  19           2HB      CYS  19  -7.770  11.085   4.614
  103    HB3  CYS  19           1HB      CYS  19  -9.427  11.471   4.178
  104    H    LYS  20           H        LYS  20  -9.107   8.792   8.041
  105    HA   LYS  20           HA       LYS  20  -6.287   7.996   7.524
  106    HB2  LYS  20           2HB      LYS  20  -7.284   9.150  10.147
  107    HB3  LYS  20           1HB      LYS  20  -5.679   8.472   9.873
  108    HG2  LYS  20           2HG      LYS  20  -6.382  10.479   7.868
  109    HG3  LYS  20           1HG      LYS  20  -6.402  11.134   9.505
  110    HD2  LYS  20           2HD      LYS  20  -4.110   9.369   8.891
  111    HD3  LYS  20           1HD      LYS  20  -4.144  10.892   8.000
  112    HE2  LYS  20           2HE      LYS  20  -3.067  11.606   9.913
  113    HE3  LYS  20           1HE      LYS  20  -4.738  11.864  10.413
  114    HZ1  LYS  20           3HZ      LYS  20  -3.642  10.670  12.126
  115    HZ2  LYS  20           1HZ      LYS  20  -3.014   9.534  11.036
  116    HZ3  LYS  20           2HZ      LYS  20  -4.684   9.576  11.348
  117    H    LEU  21           H        LEU  21  -5.640   6.107   8.818
  118    HA   LEU  21           HA       LEU  21  -7.326   3.932   8.712
  119    HB2  LEU  21           2HB      LEU  21  -4.983   4.613  10.426
  120    HB3  LEU  21           1HB      LEU  21  -5.934   3.197  10.877
  121    HG   LEU  21           HG       LEU  21  -5.728   2.784   8.206
  122   HD11  LEU  21          1HD1      LEU  21  -4.324   4.551   7.576
  123   HD12  LEU  21          2HD1      LEU  21  -3.175   3.240   7.832
  124   HD13  LEU  21          3HD1      LEU  21  -3.394   4.474   9.073
  125   HD21  LEU  21          3HD2      LEU  21  -5.113   1.286  10.175
  126   HD22  LEU  21          1HD2      LEU  21  -3.517   2.036  10.139
  127   HD23  LEU  21          2HD2      LEU  21  -4.090   1.112   8.750
  128    H    ARG  22           H        ARG  22  -9.164   3.319   9.756
  129    HA   ARG  22           HA       ARG  22 -10.111   4.956  12.017
  130    HB2  ARG  22           2HB      ARG  22 -11.415   3.738   9.918
  131    HB3  ARG  22           1HB      ARG  22 -11.743   2.635  11.254
  132    HG2  ARG  22           2HG      ARG  22 -12.523   4.542  12.628
  133    HG3  ARG  22           1HG      ARG  22 -12.251   5.621  11.260
  134    HD2  ARG  22           2HD      ARG  22 -13.809   4.103   9.924
  135    HD3  ARG  22           1HD      ARG  22 -14.235   3.348  11.460
  136    HE   ARG  22           HE       ARG  22 -14.624   6.032  11.956
  137   HH11  ARG  22          1HH1      ARG  22 -15.072   5.891   8.868
  138   HH12  ARG  22          2HH1      ARG  22 -16.800   5.794   8.825
  139   HH21  ARG  22          1HH2      ARG  22 -17.105   5.017  12.190
  140   HH22  ARG  22          2HH2      ARG  22 -17.952   5.299  10.706
  141    HA   PRO  23           HA       PRO  23  -9.871   0.703  14.144
  142    HB2  PRO  23           2HB      PRO  23  -8.890  -1.419  12.707
  143    HB3  PRO  23           1HB      PRO  23 -10.601  -0.961  12.719
  144    HG2  PRO  23           2HG      PRO  23  -8.588  -0.611  10.561
  145    HG3  PRO  23           1HG      PRO  23 -10.353  -0.685  10.444
  146    HD2  PRO  23           2HD      PRO  23  -8.728   1.662  10.368
  147    HD3  PRO  23           1HD      PRO  23 -10.500   1.597  10.431
  148    H    GLY  24           H        GLY  24  -7.852  -1.244  14.269
  149    HA2  GLY  24           2HA      GLY  24  -5.467   0.455  14.726
  150    HA3  GLY  24           1HA      GLY  24  -5.712  -1.170  15.369
  151    H    ALA  25           H        ALA  25  -6.339  -0.368  12.013
  152    HA   ALA  25           HA       ALA  25  -4.658  -2.497  11.059
  153    HB1  ALA  25           1HB      ALA  25  -6.382  -0.413   9.892
  154    HB2  ALA  25           2HB      ALA  25  -6.146  -2.087   9.390
  155    HB3  ALA  25           3HB      ALA  25  -5.002  -0.845   8.881
  156    H    GLN  26           H        GLN  26  -2.886  -1.958   9.343
  157    HA   GLN  26           HA       GLN  26  -1.029  -0.032  10.637
  158    HB2  GLN  26           2HB      GLN  26  -0.753  -2.572   9.219
  159    HB3  GLN  26           1HB      GLN  26   0.354  -1.343   8.614
  160    HG2  GLN  26           2HG      GLN  26   1.598  -2.206  10.372
  161    HG3  GLN  26           1HG      GLN  26   0.759  -0.879  11.176
  162   HE21  GLN  26          1HE2      GLN  26   0.034  -4.326  10.345
  163   HE22  GLN  26          2HE2      GLN  26  -0.650  -4.694  11.854
  164    H    CYS  27           H        CYS  27  -2.802  -0.573   7.671
  165    HA   CYS  27           HA       CYS  27  -1.938   2.107   6.755
  166    HB2  CYS  27           2HB      CYS  27  -0.476   1.138   5.302
  167    HB3  CYS  27           1HB      CYS  27  -1.200  -0.454   5.482
  168    H    GLY  28           H        GLY  28  -3.520   3.157   5.520
  169    HA2  GLY  28           2HA      GLY  28  -6.204   1.922   5.627
  170    HA3  GLY  28           1HA      GLY  28  -5.865   3.617   5.295
  171    H    GLU  29           H        GLU  29  -3.788   3.029   3.366
  172    HA   GLU  29           HA       GLU  29  -5.179   1.525   1.244
  173    HB2  GLU  29           2HB      GLU  29  -5.127   3.404  -0.294
  174    HB3  GLU  29           1HB      GLU  29  -6.042   3.855   1.133
  175    HG2  GLU  29           2HG      GLU  29  -4.329   5.217   1.966
  176    HG3  GLU  29           1HG      GLU  29  -3.093   4.423   0.989
  177    H    GLY  30           H        GLY  30  -3.721   0.811  -0.387
  178    HA2  GLY  30           2HA      GLY  30  -1.190   1.672  -1.043
  179    HA3  GLY  30           1HA      GLY  30  -0.916   0.758   0.442
  180    H    LEU  31           H        LEU  31   0.014   0.069  -2.252
  181    HA   LEU  31           HA       LEU  31  -1.616  -1.994  -3.402
  182    HB2  LEU  31           2HB      LEU  31   1.368  -1.479  -3.521
  183    HB3  LEU  31           1HB      LEU  31   0.564  -2.738  -4.457
  184    HG   LEU  31           HG       LEU  31   0.131   0.251  -4.627
  185   HD11  LEU  31          1HD1      LEU  31   1.090  -1.908  -6.518
  186   HD12  LEU  31          2HD1      LEU  31   1.949  -0.456  -6.002
  187   HD13  LEU  31          3HD1      LEU  31   0.565  -0.323  -7.087
  188   HD21  LEU  31          3HD2      LEU  31  -1.593  -2.052  -5.494
  189   HD22  LEU  31          1HD2      LEU  31  -1.535  -0.596  -6.489
  190   HD23  LEU  31          2HD2      LEU  31  -2.072  -0.499  -4.812
  191    H    CYS  32           H        CYS  32   0.998  -2.069  -0.987
  192    HA   CYS  32           HA       CYS  32   0.666  -4.987  -0.679
  193    HB2  CYS  32           2HB      CYS  32   2.376  -3.224   1.070
  194    HB3  CYS  32           1HB      CYS  32   2.604  -4.924   0.666
  195    H    CYS  33           H        CYS  33  -1.439  -2.899   0.076
  196    HA   CYS  33           HA       CYS  33  -1.604  -3.438   2.998
  197    HB2  CYS  33           2HB      CYS  33  -3.150  -1.529   1.224
  198    HB3  CYS  33           1HB      CYS  33  -3.439  -1.737   2.951
  199    H    GLU  34           H        GLU  34  -2.506  -5.454   3.249
  200    HA   GLU  34           HA       GLU  34  -5.019  -6.019   1.728
  201    HB2  GLU  34           2HB      GLU  34  -3.387  -8.127   3.132
  202    HB3  GLU  34           1HB      GLU  34  -4.500  -8.312   1.775
  203    HG2  GLU  34           2HG      GLU  34  -2.952  -7.139   0.295
  204    HG3  GLU  34           1HG      GLU  34  -1.857  -6.829   1.644
  205    H    GLN  35           H        GLN  35  -6.863  -6.173   2.938
  206    HA   GLN  35           HA       GLN  35  -8.251  -6.241   4.830
  207    HB2  GLN  35           2HB      GLN  35  -6.077  -8.126   5.346
  208    HB3  GLN  35           1HB      GLN  35  -6.728  -7.436   6.833
  209    HG2  GLN  35           2HG      GLN  35  -8.700  -8.305   4.776
  210    HG3  GLN  35           1HG      GLN  35  -7.842  -9.574   5.650
  211   HE21  GLN  35          1HE2      GLN  35  -9.377 -10.263   7.188
  212   HE22  GLN  35          2HE2      GLN  35 -10.156  -9.228   8.283
  213    H    CYS  36           H        CYS  36  -6.121  -4.109   4.394
  214    HA   CYS  36           HA       CYS  36  -5.607  -2.104   5.509
  215    HB2  CYS  36           2HB      CYS  36  -6.949  -3.240   7.967
  216    HB3  CYS  36           1HB      CYS  36  -6.741  -1.544   7.521
  217    H    LYS  37           H        LYS  37  -3.746  -4.215   5.392
  218    HA   LYS  37           HA       LYS  37  -2.165  -3.615   7.824
  219    HB2  LYS  37           2HB      LYS  37  -3.066  -6.354   6.962
  220    HB3  LYS  37           1HB      LYS  37  -1.524  -6.154   7.798
  221    HG2  LYS  37           2HG      LYS  37  -2.601  -6.007   9.764
  222    HG3  LYS  37           1HG      LYS  37  -3.486  -4.599   9.178
  223    HD2  LYS  37           2HD      LYS  37  -5.337  -5.891   9.338
  224    HD3  LYS  37           1HD      LYS  37  -4.744  -6.701   7.888
  225    HE2  LYS  37           2HE      LYS  37  -4.838  -8.561   9.210
  226    HE3  LYS  37           1HE      LYS  37  -3.278  -7.976   9.787
  227    HZ1  LYS  37           3HZ      LYS  37  -4.150  -7.706  11.786
  228    HZ2  LYS  37           1HZ      LYS  37  -5.644  -8.289  11.235
  229    HZ3  LYS  37           2HZ      LYS  37  -5.306  -6.624  11.168
  230    H    PHE  38           H        PHE  38   0.159  -4.217   7.493
  231    HA   PHE  38           HA       PHE  38   0.976  -3.586   4.761
  232    HB2  PHE  38           2HB      PHE  38   2.387  -4.060   7.365
  233    HB3  PHE  38           1HB      PHE  38   3.311  -4.148   5.869
  234    HD1  PHE  38           2HD      PHE  38   0.414  -1.963   6.776
  235    HD2  PHE  38           1HD      PHE  38   4.580  -2.183   5.777
  236    HE1  PHE  38           2HE      PHE  38   0.527   0.511   6.702
  237    HE2  PHE  38           1HE      PHE  38   4.695   0.293   5.696
  238    HZ   PHE  38           HZ       PHE  38   2.666   1.642   6.159
  239    H    SER  39           H        SER  39   1.262  -5.097   3.189
  240    HA   SER  39           HA       SER  39   0.999  -7.902   3.643
  241    HB2  SER  39           2HB      SER  39   1.138  -8.054   1.372
  242    HB3  SER  39           1HB      SER  39   1.072  -6.296   1.417
  243    HG   SER  39           HG       SER  39   3.297  -8.010   1.167
  244    H    ARG  40           H        ARG  40   2.862  -9.492   3.090
  245    HA   ARG  40           HA       ARG  40   5.117  -8.812   4.835
  246    HB2  ARG  40           2HB      ARG  40   4.285 -11.282   3.313
  247    HB3  ARG  40           1HB      ARG  40   5.879 -11.173   4.061
  248    HG2  ARG  40           2HG      ARG  40   3.884 -10.261   5.928
  249    HG3  ARG  40           1HG      ARG  40   3.433 -11.855   5.319
  250    HD2  ARG  40           2HD      ARG  40   6.201 -11.190   6.355
  251    HD3  ARG  40           1HD      ARG  40   4.933 -11.902   7.355
  252    HE   ARG  40           HE       ARG  40   6.072 -13.247   4.937
  253   HH11  ARG  40          1HH2      ARG  40   6.139 -13.458   8.225
  254   HH12  ARG  40          2HH2      ARG  40   5.509 -15.068   8.341
  255   HH21  ARG  40          1HH1      ARG  40   4.599 -15.236   5.001
  256   HH22  ARG  40          2HH1      ARG  40   4.637 -16.073   6.516
  257    H    ALA  41           H        ALA  41   7.397  -9.438   3.948
  258    HA   ALA  41           HA       ALA  41   7.937  -7.721   1.682
  259    HB1  ALA  41           1HB      ALA  41  10.101  -9.558   2.297
  260    HB2  ALA  41           2HB      ALA  41   9.432  -8.861   3.772
  261    HB3  ALA  41           3HB      ALA  41  10.040  -7.806   2.496
  262    H    GLY  42           H        GLY  42   9.135  -8.507  -0.276
  263    HA2  GLY  42           2HA      GLY  42   9.394  -9.988  -2.095
  264    HA3  GLY  42           1HA      GLY  42   8.891 -11.303  -1.032
  265    H    LYS  43           H        LYS  43   6.886  -8.468  -1.259
  266    HA   LYS  43           HA       LYS  43   4.799 -10.137  -2.571
  267    HB2  LYS  43           2HB      LYS  43   3.975  -9.118  -0.593
  268    HB3  LYS  43           1HB      LYS  43   4.727  -7.575  -0.978
  269    HG2  LYS  43           2HG      LYS  43   2.397  -7.314  -1.456
  270    HG3  LYS  43           1HG      LYS  43   3.195  -7.475  -3.016
  271    HD2  LYS  43           2HD      LYS  43   2.443 -10.060  -1.860
  272    HD3  LYS  43           1HD      LYS  43   1.056  -9.006  -2.141
  273    HE2  LYS  43           2HE      LYS  43   2.554  -8.651  -4.435
  274    HE3  LYS  43           1HE      LYS  43   2.791 -10.362  -4.080
  275    HZ1  LYS  43           3HZ      LYS  43   0.852 -10.443  -5.247
  276    HZ2  LYS  43           1HZ      LYS  43   0.326  -8.918  -4.724
  277    HZ3  LYS  43           2HZ      LYS  43   0.222 -10.255  -3.681
  278    H    ILE  44           H        ILE  44   4.858  -9.994  -4.765
  279    HA   ILE  44           HA       ILE  44   6.023  -7.893  -6.275
  280    HB   ILE  44           HB       ILE  44   5.534 -10.077  -7.262
  281   HG12  ILE  44          2HG1      ILE  44   4.441  -9.305  -9.357
  282   HG13  ILE  44          1HG1      ILE  44   3.936  -7.830  -8.533
  283   HG21  ILE  44          1HG2      ILE  44   3.574 -11.055  -6.729
  284   HG22  ILE  44          2HG2      ILE  44   2.784  -9.937  -7.840
  285   HG23  ILE  44          3HG2      ILE  44   2.922  -9.530  -6.130
  286   HD11  ILE  44          3HD1      ILE  44   6.067  -6.956  -8.496
  287   HD12  ILE  44          1HD1      ILE  44   6.211  -7.950  -9.945
  288   HD13  ILE  44          2HD1      ILE  44   6.829  -8.544  -8.403
  289    H    CYS  45           H        CYS  45   5.239  -5.911  -5.329
  290    HA   CYS  45           HA       CYS  45   2.407  -5.277  -5.251
  291    HB2  CYS  45           2HB      CYS  45   3.287  -2.898  -4.974
  292    HB3  CYS  45           1HB      CYS  45   3.819  -4.054  -3.757
  293    H    ARG  46           H        ARG  46   4.823  -5.228  -7.720
  294    HA   ARG  46           HA       ARG  46   2.827  -4.196  -9.629
  295    HB2  ARG  46           2HB      ARG  46   4.374  -2.311  -8.513
  296    HB3  ARG  46           1HB      ARG  46   5.486  -2.853  -9.770
  297    HG2  ARG  46           2HG      ARG  46   3.863  -2.399 -11.499
  298    HG3  ARG  46           1HG      ARG  46   2.610  -2.068 -10.303
  299    HD2  ARG  46           2HD      ARG  46   3.970  -0.154  -9.458
  300    HD3  ARG  46           1HD      ARG  46   5.138  -0.454 -10.745
  301    HE   ARG  46           HE       ARG  46   3.333   0.112 -12.369
  302   HH11  ARG  46          1HH2      ARG  46   3.717   1.823  -9.537
  303   HH12  ARG  46          2HH2      ARG  46   2.187   2.633  -9.598
  304   HH21  ARG  46          1HH1      ARG  46   0.993   0.741 -12.247
  305   HH22  ARG  46          2HH1      ARG  46   0.644   2.019 -11.132
  306    H    ILE  47           H        ILE  47   3.057  -5.263 -11.546
  307    HA   ILE  47           HA       ILE  47   5.318  -7.118 -11.857
  308    HB   ILE  47           HB       ILE  47   3.099  -7.908 -12.485
  309   HG12  ILE  47          2HG1      ILE  47   3.557  -8.366 -14.977
  310   HG13  ILE  47          1HG1      ILE  47   5.019  -7.404 -14.765
  311   HG21  ILE  47          1HG2      ILE  47   2.872  -5.252 -13.533
  312   HG22  ILE  47          2HG2      ILE  47   1.613  -6.478 -13.387
  313   HG23  ILE  47          3HG2      ILE  47   2.594  -6.391 -14.849
  314   HD11  ILE  47          3HD1      ILE  47   5.528  -9.780 -14.437
  315   HD12  ILE  47          1HD1      ILE  47   4.282  -9.892 -13.195
  316   HD13  ILE  47          2HD1      ILE  47   5.718  -8.907 -12.916
  317    H    ALA  48           H        ALA  48   7.145  -6.572 -12.952
  318    HA   ALA  48           HA       ALA  48   7.700  -4.041 -13.992
  319    HB1  ALA  48           1HB      ALA  48   9.589  -5.400 -13.713
  320    HB2  ALA  48           2HB      ALA  48   9.415  -5.366 -15.468
  321    HB3  ALA  48           3HB      ALA  48   8.851  -6.763 -14.553
  322    H    ARG  49           H        ARG  49   6.676  -2.984 -15.615
  323    HA   ARG  49           HA       ARG  49   5.168  -4.424 -17.656
  324    HB2  ARG  49           2HB      ARG  49   5.835  -1.488 -17.298
  325    HB3  ARG  49           1HB      ARG  49   4.801  -2.108 -18.586
  326    HG2  ARG  49           2HG      ARG  49   4.312  -2.472 -15.614
  327    HG3  ARG  49           1HG      ARG  49   3.456  -1.338 -16.661
  328    HD2  ARG  49           2HD      ARG  49   3.304  -3.823 -17.973
  329    HD3  ARG  49           1HD      ARG  49   2.985  -4.171 -16.274
  330    HE   ARG  49           HE       ARG  49   0.970  -2.936 -16.445
  331   HH11  ARG  49          1HH1      ARG  49   1.200  -3.850 -19.383
  332   HH12  ARG  49          2HH1      ARG  49   0.837  -2.368 -20.203
  333   HH21  ARG  49          1HH2      ARG  49   1.289  -0.393 -17.389
  334   HH22  ARG  49          2HH2      ARG  49   0.887  -0.410 -19.073
  335    H    GLY  50           H        GLY  50   7.103  -5.655 -18.450
  336    HA2  GLY  50           2HA      GLY  50   8.016  -5.212 -20.907
  337    HA3  GLY  50           1HA      GLY  50   9.011  -4.042 -20.048
  338    H    ASP  51           H        ASP  51  10.595  -4.827 -18.578
  339    HA   ASP  51           HA       ASP  51  10.955  -7.607 -17.954
  340    HB2  ASP  51           2HB      ASP  51  11.884  -6.746 -20.552
  341    HB3  ASP  51           1HB      ASP  51  13.250  -7.235 -19.552
  342    H    TRP  52           H        TRP  52  11.081  -5.471 -16.295
  343    HA   TRP  52           HA       TRP  52  14.012  -5.071 -15.847
  344    HB2  TRP  52           2HB      TRP  52  12.487  -3.210 -14.298
  345    HB3  TRP  52           1HB      TRP  52  13.613  -2.869 -15.609
  346    HD1  TRP  52           HD       TRP  52   9.902  -3.592 -14.982
  347    HE1  TRP  52           1HE      TRP  52   8.532  -2.638 -16.947
  348    HE3  TRP  52           3HE      TRP  52  13.694  -2.115 -18.033
  349    HZ2  TRP  52           2HZ      TRP  52   8.998  -1.406 -19.489
  350    HZ3  TRP  52           3HZ      TRP  52  13.217  -1.052 -20.222
  351    HH2  TRP  52           HH       TRP  52  10.872  -0.697 -20.953
  352    H    ASN  53           H        ASN  53  13.849  -4.158 -13.201
  353    HA   ASN  53           HA       ASN  53  13.497  -6.690 -11.809
  354    HB2  ASN  53           2HB      ASN  53  14.002  -5.183  -9.767
  355    HB3  ASN  53           1HB      ASN  53  15.271  -5.364 -10.979
  356   HD21  ASN  53          1HD2      ASN  53  16.231  -3.269 -10.672
  357   HD22  ASN  53          2HD2      ASN  53  15.416  -1.827 -11.046
  358    H    ASP  54           H        ASP  54  11.576  -7.400 -11.035
  359    HA   ASP  54           HA       ASP  54   9.195  -5.804 -11.053
  360    HB2  ASP  54           2HB      ASP  54   9.609  -8.278  -9.364
  361    HB3  ASP  54           1HB      ASP  54   8.110  -7.694 -10.088
  362    H    ASP  55           H        ASP  55   7.892  -5.276  -9.078
  363    HA   ASP  55           HA       ASP  55   9.696  -4.247  -6.942
  364    HB2  ASP  55           2HB      ASP  55   6.793  -3.540  -7.450
  365    HB3  ASP  55           1HB      ASP  55   7.927  -2.689  -6.400
  366    H    ARG  56           H        ARG  56   9.776  -5.419  -5.103
  367    HA   ARG  56           HA       ARG  56   7.384  -7.063  -4.366
  368    HB2  ARG  56           2HB      ARG  56  10.313  -7.500  -3.707
  369    HB3  ARG  56           1HB      ARG  56   8.984  -8.504  -3.128
  370    HG2  ARG  56           2HG      ARG  56   8.675  -8.261  -5.944
  371    HG3  ARG  56           1HG      ARG  56  10.367  -8.657  -5.638
  372    HD2  ARG  56           2HD      ARG  56   9.842 -10.674  -4.582
  373    HD3  ARG  56           1HD      ARG  56   8.203 -10.156  -4.187
  374    HE   ARG  56           HE       ARG  56   7.583 -10.555  -6.526
  375   HH11  ARG  56          1HH1      ARG  56   9.186 -12.996  -5.368
  376   HH12  ARG  56          2HH1      ARG  56  10.101 -13.429  -6.773
  377   HH21  ARG  56          1HH2      ARG  56   9.438 -10.466  -8.444
  378   HH22  ARG  56          2HH2      ARG  56  10.242 -11.998  -8.514
  379    H    CYS  57           H        CYS  57   6.311  -6.245  -2.637
  380    HA   CYS  57           HA       CYS  57   7.099  -4.038  -1.103
  381    HB2  CYS  57           2HB      CYS  57   5.550  -6.338   0.104
  382    HB3  CYS  57           1HB      CYS  57   5.398  -4.620   0.460
  383    H    THR  58           H        THR  58   8.147  -3.853   0.953
  384    HA   THR  58           HA       THR  58  10.119  -6.003   1.428
  385    HB   THR  58           HB       THR  58  11.367  -4.388   2.671
  386    HG1  THR  58           1HG      THR  58   9.124  -2.671   2.497
  387   HG21  THR  58          3HG2      THR  58  10.512  -2.321   0.873
  388   HG22  THR  58          1HG2      THR  58  10.452  -3.870   0.034
  389   HG23  THR  58          2HG2      THR  58  11.955  -3.329   0.780
  390    H    GLY  59           H        GLY  59   7.123  -5.853   2.310
  391    HA2  GLY  59           2HA      GLY  59   5.988  -6.852   4.121
  392    HA3  GLY  59           1HA      GLY  59   7.557  -7.200   4.850
  393    H    GLN  60           H        GLN  60   7.661  -4.001   4.083
  394    HA   GLN  60           HA       GLN  60   6.307  -3.094   6.565
  395    HB2  GLN  60           2HB      GLN  60   9.227  -2.962   5.923
  396    HB3  GLN  60           1HB      GLN  60   8.501  -1.598   6.776
  397    HG2  GLN  60           2HG      GLN  60   8.197  -4.479   7.662
  398    HG3  GLN  60           1HG      GLN  60   9.432  -3.389   8.291
  399   HE21  GLN  60          1HE2      GLN  60   7.509  -4.417  10.074
  400   HE22  GLN  60          2HE2      GLN  60   6.457  -3.171  10.549
  401    H    SER  61           H        SER  61   6.640  -2.732   3.307
  402    HA   SER  61           HA       SER  61   6.157   0.220   3.473
  403    HB2  SER  61           2HB      SER  61   6.728  -0.496   0.797
  404    HB3  SER  61           1HB      SER  61   7.747   0.426   1.898
  405    HG   SER  61           HG       SER  61   8.235  -1.933   0.909
  406    H    ALA  62           H        ALA  62   3.950   0.469   3.418
  407    HA   ALA  62           HA       ALA  62   2.195  -1.390   2.052
  408    HB1  ALA  62           1HB      ALA  62   0.916  -0.345   3.627
  409    HB2  ALA  62           2HB      ALA  62   0.670   0.856   2.359
  410    HB3  ALA  62           3HB      ALA  62   1.901   1.118   3.596
  411    H    ASP  63           H        ASP  63   3.283   1.940   1.343
  412    HA   ASP  63           HA       ASP  63   2.014   1.894  -1.293
  413    HB2  ASP  63           2HB      ASP  63   4.034   3.841  -0.132
  414    HB3  ASP  63           1HB      ASP  63   3.069   4.094  -1.587
  415    H    CYS  64           H        CYS  64   2.905   0.632  -2.851
  416    HA   CYS  64           HA       CYS  64   5.669  -0.224  -2.776
  417    HB2  CYS  64           2HB      CYS  64   3.981  -1.658  -3.776
  418    HB3  CYS  64           1HB      CYS  64   3.570  -0.410  -4.952
  419    HA   PRO  65           HA       PRO  65   7.239   3.368  -4.810
  420    HB2  PRO  65           2HB      PRO  65   9.847   2.572  -4.573
  421    HB3  PRO  65           1HB      PRO  65   8.947   3.333  -3.261
  422    HG2  PRO  65           2HG      PRO  65   9.783   0.502  -3.590
  423    HG3  PRO  65           1HG      PRO  65   9.387   1.389  -2.108
  424    HD2  PRO  65           2HD      PRO  65   7.707  -0.448  -3.478
  425    HD3  PRO  65           1HD      PRO  65   7.237   0.625  -2.143
  426    H    ARG  66           H        ARG  66   7.294   3.544  -7.027
  427    HA   ARG  66           HA       ARG  66   7.969   1.163  -8.644
  428    HB2  ARG  66           2HB      ARG  66   7.140   2.504 -10.538
  429    HB3  ARG  66           1HB      ARG  66   5.967   2.500  -9.220
  430    HG2  ARG  66           2HG      ARG  66   7.501   4.660  -8.548
  431    HG3  ARG  66           1HG      ARG  66   7.565   4.732 -10.309
  432    HD2  ARG  66           2HD      ARG  66   5.127   4.691 -10.437
  433    HD3  ARG  66           1HD      ARG  66   5.014   4.504  -8.687
  434    HE   ARG  66           HE       ARG  66   5.946   6.974 -10.077
  435   HH11  ARG  66          1HH2      ARG  66   6.742   6.019  -7.146
  436   HH12  ARG  66          2HH2      ARG  66   5.722   7.084  -6.236
  437   HH21  ARG  66          1HH1      ARG  66   3.815   8.025  -8.975
  438   HH22  ARG  66          2HH1      ARG  66   4.064   8.219  -7.272
  439    H    TYR  67           H        TYR  67   9.756   1.056 -10.020
  440    HA   TYR  67           HA       TYR  67  11.789   3.204  -9.620
  441    HB2  TYR  67           2HB      TYR  67  12.417   0.542 -10.859
  442    HB3  TYR  67           1HB      TYR  67  13.451   1.591  -9.889
  443    HD1  TYR  67           1HD      TYR  67  11.803   2.184  -7.552
  444    HD2  TYR  67           2HD      TYR  67  12.268  -1.502  -9.709
  445    HE1  TYR  67           1HE      TYR  67  11.183   0.913  -5.514
  446    HE2  TYR  67           2HE      TYR  67  11.649  -2.772  -7.672
  447    HH   TYR  67           HH       TYR  67  11.707  -2.389  -5.182
  448    H    HIS  68           H        HIS  68  10.719   0.950 -12.197
  449    HA   HIS  68           HA       HIS  68  11.807   2.711 -14.265
  450    HB2  HIS  68           2HB      HIS  68  10.867  -0.003 -14.093
  451    HB3  HIS  68           1HB      HIS  68  10.027   0.819 -15.408
  452    HD1  HIS  68           1HD      HIS  68  13.373  -0.439 -14.370
  453    HD2  HIS  68           2HD      HIS  68  11.770   1.824 -17.482
  454    HE1  HIS  68           1HE      HIS  68  15.160  -0.316 -16.161
  Start of MODEL   13
    1    H    GLY   1           1HT      GLY   1   3.267  13.693  10.290
    2    HA2  GLY   1           1HA      GLY   1   1.159  11.658  10.666
    3    HA3  GLY   1           2HA      GLY   1   1.384  12.974  11.820
    4    H    LYS   2           H        LYS   2   0.843  12.316   8.361
    5    HA   LYS   2           HA       LYS   2   0.283  15.040   7.649
    6    HB2  LYS   2           2HB      LYS   2  -0.409  12.383   6.391
    7    HB3  LYS   2           1HB      LYS   2  -0.941  13.910   5.685
    8    HG2  LYS   2           2HG      LYS   2   1.115  14.347   4.866
    9    HG3  LYS   2           1HG      LYS   2   1.877  13.992   6.416
   10    HD2  LYS   2           2HD      LYS   2   0.929  11.537   5.263
   11    HD3  LYS   2           1HD      LYS   2   1.901  12.395   4.066
   12    HE2  LYS   2           2HE      LYS   2   3.815  12.366   5.398
   13    HE3  LYS   2           1HE      LYS   2   2.894  12.189   6.892
   14    HZ1  LYS   2           3HZ      LYS   2   4.112  10.178   5.534
   15    HZ2  LYS   2           1HZ      LYS   2   2.491  10.023   5.059
   16    HZ3  LYS   2           2HZ      LYS   2   2.899   9.986   6.708
   17    H    GLU   3           H        GLU   3  -2.390  13.057   6.794
   18    HA   GLU   3           HA       GLU   3  -4.085  13.520   9.042
   19    HB2  GLU   3           2HB      GLU   3  -3.675  15.795   7.295
   20    HB3  GLU   3           1HB      GLU   3  -5.368  15.298   7.288
   21    HG2  GLU   3           2HG      GLU   3  -5.691  16.022   9.403
   22    HG3  GLU   3           1HG      GLU   3  -4.213  15.245   9.972
   23    H    CYS   4           H        CYS   4  -3.767  12.999   5.596
   24    HA   CYS   4           HA       CYS   4  -6.316  11.416   5.683
   25    HB2  CYS   4           2HB      CYS   4  -5.122  13.071   3.442
   26    HB3  CYS   4           1HB      CYS   4  -6.460  11.951   3.210
   27    H    ASP   5           H        ASP   5  -5.559   9.349   5.897
   28    HA   ASP   5           HA       ASP   5  -3.162   8.465   4.422
   29    HB2  ASP   5           2HB      ASP   5  -4.360   7.721   6.843
   30    HB3  ASP   5           1HB      ASP   5  -4.677   6.364   5.761
   31    H    CYS   6           H        CYS   6  -6.524   8.613   3.906
   32    HA   CYS   6           HA       CYS   6  -6.248   6.636   1.684
   33    HB2  CYS   6           2HB      CYS   6  -8.451   6.932   3.716
   34    HB3  CYS   6           1HB      CYS   6  -8.796   6.266   2.118
   35    H    SER   7           H        SER   7  -7.856   7.060  -0.088
   36    HA   SER   7           HA       SER   7  -8.483   9.981  -0.256
   37    HB2  SER   7           2HB      SER   7  -8.130   9.711  -2.732
   38    HB3  SER   7           1HB      SER   7  -6.671   9.458  -1.778
   39    HG   SER   7           HG       SER   7  -8.411   7.357  -2.550
   40    H    SER   8           H        SER   8 -10.106   7.460   0.503
   41    HA   SER   8           HA       SER   8 -12.356   8.054  -1.363
   42    HB2  SER   8           2HB      SER   8 -11.190   5.803  -1.780
   43    HB3  SER   8           1HB      SER   8 -11.845   5.302  -0.224
   44    HG   SER   8           HG       SER   8 -13.338   6.313  -2.423
   45    HA   PRO   9           HA       PRO   9 -14.355   8.684   2.557
   46    HB2  PRO   9           2HB      PRO   9 -16.832   9.271   1.518
   47    HB3  PRO   9           1HB      PRO   9 -15.488  10.425   1.553
   48    HG2  PRO   9           2HG      PRO   9 -16.597   8.911  -0.760
   49    HG3  PRO   9           1HG      PRO   9 -15.731  10.455  -0.743
   50    HD2  PRO   9           2HD      PRO   9 -14.632   7.937  -1.445
   51    HD3  PRO   9           1HD      PRO   9 -13.719   9.426  -1.121
   52    H    GLU  10           H        GLU  10 -15.260   6.363   0.138
   53    HA   GLU  10           HA       GLU  10 -17.284   5.071   1.851
   54    HB2  GLU  10           2HB      GLU  10 -17.580   5.151  -0.617
   55    HB3  GLU  10           1HB      GLU  10 -16.116   4.184  -0.805
   56    HG2  GLU  10           2HG      GLU  10 -17.974   2.994   1.104
   57    HG3  GLU  10           1HG      GLU  10 -18.699   3.191  -0.492
   58    H    ASN  11           H        ASN  11 -13.947   5.093   1.693
   59    HA   ASN  11           HA       ASN  11 -13.444   2.264   2.132
   60    HB2  ASN  11           2HB      ASN  11 -11.802   4.089   1.280
   61    HB3  ASN  11           1HB      ASN  11 -11.597   4.485   2.987
   62   HD21  ASN  11          1HD2      ASN  11  -9.690   3.135   0.997
   63   HD22  ASN  11          2HD2      ASN  11  -9.234   1.693   1.768
   64    HA   PRO  12           HA       PRO  12 -14.746   2.619   6.411
   65    HB2  PRO  12           2HB      PRO  12 -14.643  -0.082   6.909
   66    HB3  PRO  12           1HB      PRO  12 -16.000   0.714   6.092
   67    HG2  PRO  12           2HG      PRO  12 -13.849  -0.994   4.931
   68    HG3  PRO  12           1HG      PRO  12 -15.496  -0.709   4.342
   69    HD2  PRO  12           2HD      PRO  12 -13.140   0.487   3.323
   70    HD3  PRO  12           1HD      PRO  12 -14.806   0.998   2.975
   71    H    CYS  13           H        CYS  13 -11.824   1.177   5.152
   72    HA   CYS  13           HA       CYS  13 -10.630   0.689   7.771
   73    HB2  CYS  13           2HB      CYS  13 -10.076  -0.122   5.156
   74    HB3  CYS  13           1HB      CYS  13  -8.733   0.948   5.571
   75    H    CYS  14           H        CYS  14 -11.414   3.508   6.335
   76    HA   CYS  14           HA       CYS  14  -9.193   4.913   7.715
   77    HB2  CYS  14           2HB      CYS  14  -9.988   6.068   5.093
   78    HB3  CYS  14           1HB      CYS  14  -8.414   6.054   5.883
   79    H    ASP  15           H        ASP  15 -10.202   6.262   9.113
   80    HA   ASP  15           HA       ASP  15 -12.933   6.947   9.098
   81    HB2  ASP  15           2HB      ASP  15 -11.100   7.344  10.918
   82    HB3  ASP  15           1HB      ASP  15 -10.847   8.882  10.085
   83    H    ALA  16           H        ALA  16 -14.105   8.370   7.868
   84    HA   ALA  16           HA       ALA  16 -12.865   9.726   5.639
   85    HB1  ALA  16           1HB      ALA  16 -15.251   8.895   5.702
   86    HB2  ALA  16           2HB      ALA  16 -15.081  10.562   5.153
   87    HB3  ALA  16           3HB      ALA  16 -15.620  10.226   6.798
   88    H    ALA  17           H        ALA  17 -14.216  10.838   8.749
   89    HA   ALA  17           HA       ALA  17 -13.844  13.617   8.382
   90    HB1  ALA  17           1HB      ALA  17 -13.378  12.150  10.990
   91    HB2  ALA  17           2HB      ALA  17 -14.989  12.456  10.338
   92    HB3  ALA  17           3HB      ALA  17 -13.942  13.808  10.774
   93    H    THR  18           H        THR  18 -11.596  11.273   9.895
   94    HA   THR  18           HA       THR  18  -9.427  13.281   9.646
   95    HB   THR  18           HB       THR  18  -8.425  12.228  11.393
   96    HG1  THR  18           1HG      THR  18  -7.625  10.472  10.536
   97   HG21  THR  18          3HG2      THR  18 -11.061  12.139  11.778
   98   HG22  THR  18          1HG2      THR  18  -9.938  11.431  12.939
   99   HG23  THR  18          2HG2      THR  18 -10.758  10.402  11.765
  100    H    CYS  19           H        CYS  19 -10.794  11.286   7.567
  101    HA   CYS  19           HA       CYS  19 -10.064   9.845   5.837
  102    HB2  CYS  19           2HB      CYS  19  -8.108  11.053   4.573
  103    HB3  CYS  19           1HB      CYS  19  -9.704  11.767   4.601
  104    H    LYS  20           H        LYS  20  -8.755   9.200   8.430
  105    HA   LYS  20           HA       LYS  20  -6.261   8.026   7.253
  106    HB2  LYS  20           2HB      LYS  20  -6.631   8.991  10.104
  107    HB3  LYS  20           1HB      LYS  20  -5.197   8.182   9.477
  108    HG2  LYS  20           2HG      LYS  20  -5.618  10.262   7.674
  109    HG3  LYS  20           1HG      LYS  20  -5.992  10.982   9.242
  110    HD2  LYS  20           2HD      LYS  20  -3.684  11.303   9.125
  111    HD3  LYS  20           1HD      LYS  20  -3.785   9.780  10.008
  112    HE2  LYS  20           2HE      LYS  20  -2.878   8.589   8.300
  113    HE3  LYS  20           1HE      LYS  20  -3.786   9.478   7.078
  114    HZ1  LYS  20           3HZ      LYS  20  -2.044  11.313   8.093
  115    HZ2  LYS  20           1HZ      LYS  20  -1.878  10.490   6.619
  116    HZ3  LYS  20           2HZ      LYS  20  -1.119   9.891   8.017
  117    H    LEU  21           H        LEU  21  -5.563   6.032   8.627
  118    HA   LEU  21           HA       LEU  21  -7.558   4.068   8.512
  119    HB2  LEU  21           2HB      LEU  21  -5.036   4.224  10.169
  120    HB3  LEU  21           1HB      LEU  21  -6.069   2.795  10.168
  121    HG   LEU  21           HG       LEU  21  -5.690   3.552   7.454
  122   HD11  LEU  21          1HD1      LEU  21  -3.669   4.756   8.567
  123   HD12  LEU  21          2HD1      LEU  21  -3.358   3.725   7.170
  124   HD13  LEU  21          3HD1      LEU  21  -3.025   3.129   8.796
  125   HD21  LEU  21          3HD2      LEU  21  -5.710   1.263   9.028
  126   HD22  LEU  21          1HD2      LEU  21  -4.052   1.324   8.429
  127   HD23  LEU  21          2HD2      LEU  21  -5.401   1.308   7.292
  128    H    ARG  22           H        ARG  22  -9.392   3.856   9.661
  129    HA   ARG  22           HA       ARG  22  -9.802   5.359  12.127
  130    HB2  ARG  22           2HB      ARG  22 -11.454   4.207  10.157
  131    HB3  ARG  22           1HB      ARG  22 -11.817   3.336  11.647
  132    HG2  ARG  22           2HG      ARG  22 -11.597   6.034  12.407
  133    HG3  ARG  22           1HG      ARG  22 -12.520   6.049  10.905
  134    HD2  ARG  22           2HD      ARG  22 -13.977   4.230  11.883
  135    HD3  ARG  22           1HD      ARG  22 -13.143   4.476  13.417
  136    HE   ARG  22           HE       ARG  22 -13.968   6.922  13.176
  137   HH11  ARG  22          1HH1      ARG  22 -15.382   5.596  10.611
  138   HH12  ARG  22          2HH1      ARG  22 -17.022   5.681  11.162
  139   HH21  ARG  22          1HH2      ARG  22 -16.161   6.408  14.441
  140   HH22  ARG  22          2HH2      ARG  22 -17.463   6.140  13.330
  141    HA   PRO  23           HA       PRO  23  -9.828   0.983  14.037
  142    HB2  PRO  23           2HB      PRO  23  -9.154  -1.125  12.406
  143    HB3  PRO  23           1HB      PRO  23 -10.814  -0.543  12.617
  144    HG2  PRO  23           2HG      PRO  23  -8.983  -0.185  10.293
  145    HG3  PRO  23           1HG      PRO  23 -10.753  -0.185  10.336
  146    HD2  PRO  23           2HD      PRO  23  -9.087   2.103  10.185
  147    HD3  PRO  23           1HD      PRO  23 -10.829   2.098  10.532
  148    H    GLY  24           H        GLY  24  -7.957  -1.068  14.009
  149    HA2  GLY  24           2HA      GLY  24  -5.442   0.453  14.313
  150    HA3  GLY  24           1HA      GLY  24  -5.734  -1.186  14.896
  151    H    ALA  25           H        ALA  25  -6.570  -0.261  11.626
  152    HA   ALA  25           HA       ALA  25  -4.896  -2.365  10.531
  153    HB1  ALA  25           1HB      ALA  25  -5.617  -1.020   8.333
  154    HB2  ALA  25           2HB      ALA  25  -6.784  -0.316   9.450
  155    HB3  ALA  25           3HB      ALA  25  -6.754  -2.059   9.191
  156    H    GLN  26           H        GLN  26  -2.981  -2.112   9.276
  157    HA   GLN  26           HA       GLN  26  -1.440   0.303   9.960
  158    HB2  GLN  26           2HB      GLN  26  -0.846  -2.439   9.376
  159    HB3  GLN  26           1HB      GLN  26   0.031  -1.416   8.236
  160    HG2  GLN  26           2HG      GLN  26   1.474  -1.551  10.105
  161    HG3  GLN  26           1HG      GLN  26   0.659   0.002  10.291
  162   HE21  GLN  26          1HE2      GLN  26   0.373  -3.431  11.342
  163   HE22  GLN  26          2HE2      GLN  26  -0.343  -3.066  12.838
  164    H    CYS  27           H        CYS  27  -3.504  -0.536   7.479
  165    HA   CYS  27           HA       CYS  27  -2.713   1.726   5.871
  166    HB2  CYS  27           2HB      CYS  27  -2.261   0.206   3.802
  167    HB3  CYS  27           1HB      CYS  27  -0.955   0.470   4.958
  168    H    GLY  28           H        GLY  28  -4.657   2.437   5.175
  169    HA2  GLY  28           2HA      GLY  28  -6.896   0.549   4.903
  170    HA3  GLY  28           1HA      GLY  28  -7.005   2.301   4.788
  171    H    GLU  29           H        GLU  29  -4.587   2.162   2.933
  172    HA   GLU  29           HA       GLU  29  -5.781   0.873   0.560
  173    HB2  GLU  29           2HB      GLU  29  -5.924   2.861  -0.714
  174    HB3  GLU  29           1HB      GLU  29  -6.664   3.262   0.827
  175    HG2  GLU  29           2HG      GLU  29  -5.235   5.078   0.529
  176    HG3  GLU  29           1HG      GLU  29  -4.228   3.992   1.489
  177    H    GLY  30           H        GLY  30  -4.208   0.293  -0.961
  178    HA2  GLY  30           2HA      GLY  30  -1.747   1.336  -1.535
  179    HA3  GLY  30           1HA      GLY  30  -1.429   0.455  -0.041
  180    H    LEU  31           H        LEU  31  -0.230  -0.259  -2.501
  181    HA   LEU  31           HA       LEU  31  -1.719  -2.527  -3.621
  182    HB2  LEU  31           2HB      LEU  31   1.116  -1.545  -4.072
  183    HB3  LEU  31           1HB      LEU  31   0.351  -2.851  -4.976
  184    HG   LEU  31           HG       LEU  31  -0.741  -0.031  -4.810
  185   HD11  LEU  31          1HD1      LEU  31   1.429  -1.111  -6.355
  186   HD12  LEU  31          2HD1      LEU  31   0.765   0.522  -6.387
  187   HD13  LEU  31          3HD1      LEU  31   0.092  -0.724  -7.437
  188   HD21  LEU  31          3HD2      LEU  31  -2.563  -1.382  -5.352
  189   HD22  LEU  31          1HD2      LEU  31  -1.563  -2.577  -6.177
  190   HD23  LEU  31          2HD2      LEU  31  -1.917  -1.035  -6.955
  191    H    CYS  32           H        CYS  32   0.801  -1.978  -1.243
  192    HA   CYS  32           HA       CYS  32   1.224  -4.915  -1.004
  193    HB2  CYS  32           2HB      CYS  32   2.723  -2.791   0.531
  194    HB3  CYS  32           1HB      CYS  32   3.234  -4.435   0.145
  195    H    CYS  33           H        CYS  33  -1.218  -3.432  -0.045
  196    HA   CYS  33           HA       CYS  33  -0.921  -3.935   2.884
  197    HB2  CYS  33           2HB      CYS  33  -1.691  -1.652   2.215
  198    HB3  CYS  33           1HB      CYS  33  -3.107  -2.384   1.463
  199    H    GLU  34           H        GLU  34  -1.610  -5.944   3.407
  200    HA   GLU  34           HA       GLU  34  -3.943  -7.070   1.919
  201    HB2  GLU  34           2HB      GLU  34  -1.415  -8.183   2.634
  202    HB3  GLU  34           1HB      GLU  34  -2.654  -9.031   3.562
  203    HG2  GLU  34           2HG      GLU  34  -3.937  -9.083   1.273
  204    HG3  GLU  34           1HG      GLU  34  -2.336  -8.817   0.584
  205    H    GLN  35           H        GLN  35  -5.815  -7.316   3.067
  206    HA   GLN  35           HA       GLN  35  -7.278  -7.327   4.906
  207    HB2  GLN  35           2HB      GLN  35  -4.836  -8.180   6.491
  208    HB3  GLN  35           1HB      GLN  35  -6.527  -8.452   6.914
  209    HG2  GLN  35           2HG      GLN  35  -6.776  -9.819   4.829
  210    HG3  GLN  35           1HG      GLN  35  -5.043  -9.640   4.553
  211   HE21  GLN  35          1HE2      GLN  35  -4.939 -12.063   4.795
  212   HE22  GLN  35          2HE2      GLN  35  -4.917 -12.736   6.353
  213    H    CYS  36           H        CYS  36  -5.774  -4.949   4.159
  214    HA   CYS  36           HA       CYS  36  -5.467  -2.768   4.948
  215    HB2  CYS  36           2HB      CYS  36  -7.139  -4.003   7.108
  216    HB3  CYS  36           1HB      CYS  36  -6.369  -2.452   7.407
  217    H    LYS  37           H        LYS  37  -3.640  -5.189   5.667
  218    HA   LYS  37           HA       LYS  37  -2.162  -3.787   7.863
  219    HB2  LYS  37           2HB      LYS  37  -2.746  -6.631   7.351
  220    HB3  LYS  37           1HB      LYS  37  -1.059  -6.297   7.746
  221    HG2  LYS  37           2HG      LYS  37  -3.111  -4.932   9.414
  222    HG3  LYS  37           1HG      LYS  37  -2.930  -6.673   9.645
  223    HD2  LYS  37           2HD      LYS  37  -0.393  -6.201   9.775
  224    HD3  LYS  37           1HD      LYS  37  -0.853  -4.512  10.001
  225    HE2  LYS  37           2HE      LYS  37  -0.750  -5.273  12.209
  226    HE3  LYS  37           1HE      LYS  37  -2.462  -5.479  11.837
  227    HZ1  LYS  37           3HZ      LYS  37  -0.642  -7.685  11.219
  228    HZ2  LYS  37           1HZ      LYS  37  -2.265  -7.727  11.711
  229    HZ3  LYS  37           2HZ      LYS  37  -1.041  -7.420  12.849
  230    H    PHE  38           H        PHE  38   0.299  -4.287   7.685
  231    HA   PHE  38           HA       PHE  38   1.139  -3.423   5.029
  232    HB2  PHE  38           2HB      PHE  38   2.540  -4.007   7.624
  233    HB3  PHE  38           1HB      PHE  38   3.476  -3.813   6.145
  234    HD1  PHE  38           1HD      PHE  38   1.886  -1.766   4.705
  235    HD2  PHE  38           2HD      PHE  38   2.964  -2.043   8.855
  236    HE1  PHE  38           1HE      PHE  38   1.703   0.694   4.917
  237    HE2  PHE  38           2HE      PHE  38   2.783   0.420   9.065
  238    HZ   PHE  38           HZ       PHE  38   2.150   1.790   7.096
  239    H    SER  39           H        SER  39   1.472  -4.835   3.384
  240    HA   SER  39           HA       SER  39   1.417  -7.662   3.686
  241    HB2  SER  39           2HB      SER  39   2.492  -5.885   1.485
  242    HB3  SER  39           1HB      SER  39   2.494  -7.642   1.363
  243    HG   SER  39           HG       SER  39   0.156  -6.243   2.081
  244    H    ARG  40           H        ARG  40   3.328  -9.122   3.129
  245    HA   ARG  40           HA       ARG  40   5.521  -8.494   4.918
  246    HB2  ARG  40           2HB      ARG  40   5.734 -10.679   2.880
  247    HB3  ARG  40           1HB      ARG  40   6.211 -10.684   4.578
  248    HG2  ARG  40           2HG      ARG  40   3.683 -10.489   5.088
  249    HG3  ARG  40           1HG      ARG  40   3.445 -10.976   3.410
  250    HD2  ARG  40           2HD      ARG  40   3.733 -13.118   4.026
  251    HD3  ARG  40           1HD      ARG  40   5.390 -12.731   4.491
  252    HE   ARG  40           HE       ARG  40   4.686 -12.635   6.763
  253   HH11  ARG  40          1HH2      ARG  40   2.016 -12.276   4.649
  254   HH12  ARG  40          2HH2      ARG  40   0.843 -12.804   5.806
  255   HH21  ARG  40          1HH1      ARG  40   3.197 -13.557   8.241
  256   HH22  ARG  40          2HH1      ARG  40   1.511 -13.530   7.843
  257    H    ALA  41           H        ALA  41   7.850  -8.656   4.088
  258    HA   ALA  41           HA       ALA  41   8.229  -6.663   2.014
  259    HB1  ALA  41           1HB      ALA  41   9.765  -7.446   4.086
  260    HB2  ALA  41           2HB      ALA  41  10.441  -6.674   2.651
  261    HB3  ALA  41           3HB      ALA  41  10.494  -8.430   2.817
  262    H    GLY  42           H        GLY  42   9.444  -7.016   0.071
  263    HA2  GLY  42           2HA      GLY  42   9.882  -8.125  -1.905
  264    HA3  GLY  42           1HA      GLY  42   9.799  -9.652  -1.072
  265    H    LYS  43           H        LYS  43   7.242  -7.227  -1.057
  266    HA   LYS  43           HA       LYS  43   5.379  -9.248  -2.137
  267    HB2  LYS  43           2HB      LYS  43   4.412  -8.054  -0.358
  268    HB3  LYS  43           1HB      LYS  43   5.079  -6.521  -0.901
  269    HG2  LYS  43           2HG      LYS  43   2.715  -6.504  -1.392
  270    HG3  LYS  43           1HG      LYS  43   3.571  -6.671  -2.922
  271    HD2  LYS  43           2HD      LYS  43   2.264  -8.478  -3.287
  272    HD3  LYS  43           1HD      LYS  43   3.262  -9.296  -2.084
  273    HE2  LYS  43           2HE      LYS  43   1.430  -9.504  -0.791
  274    HE3  LYS  43           1HE      LYS  43   1.408  -7.749  -0.621
  275    HZ1  LYS  43           3HZ      LYS  43  -0.238  -7.536  -2.111
  276    HZ2  LYS  43           1HZ      LYS  43  -0.566  -9.154  -1.726
  277    HZ3  LYS  43           2HZ      LYS  43   0.342  -8.780  -3.112
  278    H    ILE  44           H        ILE  44   5.183  -9.435  -4.311
  279    HA   ILE  44           HA       ILE  44   6.179  -7.513  -6.185
  280    HB   ILE  44           HB       ILE  44   5.945  -9.803  -6.885
  281   HG12  ILE  44          2HG1      ILE  44   4.377  -9.544  -8.867
  282   HG13  ILE  44          1HG1      ILE  44   3.924  -7.972  -8.208
  283   HG21  ILE  44          1HG2      ILE  44   3.171  -9.425  -5.832
  284   HG22  ILE  44          2HG2      ILE  44   4.273 -10.783  -5.620
  285   HG23  ILE  44          3HG2      ILE  44   3.416 -10.574  -7.148
  286   HD11  ILE  44          3HD1      ILE  44   5.925  -8.230  -9.964
  287   HD12  ILE  44          1HD1      ILE  44   6.838  -8.556  -8.491
  288   HD13  ILE  44          2HD1      ILE  44   5.975  -7.028  -8.674
  289    H    CYS  45           H        CYS  45   5.240  -5.497  -5.586
  290    HA   CYS  45           HA       CYS  45   2.339  -5.157  -5.530
  291    HB2  CYS  45           2HB      CYS  45   2.983  -2.687  -5.455
  292    HB3  CYS  45           1HB      CYS  45   3.581  -3.681  -4.134
  293    H    ARG  46           H        ARG  46   4.743  -5.193  -7.989
  294    HA   ARG  46           HA       ARG  46   2.689  -4.502  -9.980
  295    HB2  ARG  46           2HB      ARG  46   3.557  -2.290  -9.484
  296    HB3  ARG  46           1HB      ARG  46   5.217  -2.864  -9.649
  297    HG2  ARG  46           2HG      ARG  46   4.910  -3.300 -12.004
  298    HG3  ARG  46           1HG      ARG  46   3.180  -2.977 -11.889
  299    HD2  ARG  46           2HD      ARG  46   4.885  -0.785 -10.903
  300    HD3  ARG  46           1HD      ARG  46   5.053  -1.116 -12.628
  301    HE   ARG  46           HE       ARG  46   2.705   0.017 -11.327
  302   HH11  ARG  46          1HH2      ARG  46   4.087   0.020 -14.230
  303   HH12  ARG  46          2HH2      ARG  46   2.698  -0.427 -15.163
  304   HH21  ARG  46          1HH1      ARG  46   0.819  -1.372 -12.408
  305   HH22  ARG  46          2HH1      ARG  46   0.849  -1.215 -14.132
  306    H    ILE  47           H        ILE  47   3.053  -5.587 -11.887
  307    HA   ILE  47           HA       ILE  47   5.295  -7.474 -11.963
  308    HB   ILE  47           HB       ILE  47   3.082  -8.181 -12.761
  309   HG12  ILE  47          2HG1      ILE  47   3.754  -8.998 -15.016
  310   HG13  ILE  47          1HG1      ILE  47   5.122  -7.884 -14.990
  311   HG21  ILE  47          1HG2      ILE  47   2.212  -6.038 -13.507
  312   HG22  ILE  47          2HG2      ILE  47   2.197  -7.153 -14.875
  313   HG23  ILE  47          3HG2      ILE  47   3.457  -5.925 -14.751
  314   HD11  ILE  47          3HD1      ILE  47   6.178  -9.033 -13.217
  315   HD12  ILE  47          1HD1      ILE  47   5.557 -10.322 -14.249
  316   HD13  ILE  47          2HD1      ILE  47   4.696  -9.883 -12.774
  317    H    ALA  48           H        ALA  48   7.044  -7.371 -13.437
  318    HA   ALA  48           HA       ALA  48   7.705  -4.693 -14.367
  319    HB1  ALA  48           1HB      ALA  48   9.078  -7.301 -14.163
  320    HB2  ALA  48           2HB      ALA  48   9.706  -5.677 -13.889
  321    HB3  ALA  48           3HB      ALA  48   9.583  -6.310 -15.531
  322    H    ARG  49           H        ARG  49   6.813  -3.896 -16.200
  323    HA   ARG  49           HA       ARG  49   5.799  -5.701 -18.278
  324    HB2  ARG  49           2HB      ARG  49   5.985  -2.673 -18.304
  325    HB3  ARG  49           1HB      ARG  49   4.974  -3.680 -19.344
  326    HG2  ARG  49           2HG      ARG  49   3.345  -3.670 -17.795
  327    HG3  ARG  49           1HG      ARG  49   4.445  -4.399 -16.625
  328    HD2  ARG  49           2HD      ARG  49   3.687  -2.318 -15.680
  329    HD3  ARG  49           1HD      ARG  49   5.361  -2.082 -16.183
  330    HE   ARG  49           HE       ARG  49   4.338  -0.250 -17.315
  331   HH11  ARG  49          1HH2      ARG  49   1.779  -2.310 -17.085
  332   HH12  ARG  49          2HH2      ARG  49   1.210  -2.119 -18.710
  333   HH21  ARG  49          1HH1      ARG  49   4.026  -0.398 -19.773
  334   HH22  ARG  49          2HH1      ARG  49   2.482  -1.035 -20.231
  335    H    GLY  50           H        GLY  50   7.686  -6.690 -19.127
  336    HA2  GLY  50           2HA      GLY  50   8.945  -6.154 -21.326
  337    HA3  GLY  50           1HA      GLY  50   9.662  -4.846 -20.394
  338    H    ASP  51           H        ASP  51  11.112  -5.388 -18.689
  339    HA   ASP  51           HA       ASP  51  11.756  -8.050 -17.885
  340    HB2  ASP  51           2HB      ASP  51  13.032  -7.060 -20.364
  341    HB3  ASP  51           1HB      ASP  51  14.134  -7.754 -19.175
  342    H    TRP  52           H        TRP  52  11.611  -6.399 -16.039
  343    HA   TRP  52           HA       TRP  52  14.345  -5.286 -15.554
  344    HB2  TRP  52           2HB      TRP  52  12.209  -3.908 -14.094
  345    HB3  TRP  52           1HB      TRP  52  13.545  -3.233 -15.022
  346    HD1  TRP  52           HD       TRP  52   9.914  -4.218 -15.277
  347    HE1  TRP  52           1HE      TRP  52   8.958  -3.414 -17.529
  348    HE3  TRP  52           3HE      TRP  52  14.214  -2.740 -17.549
  349    HZ2  TRP  52           2HZ      TRP  52   9.908  -2.285 -19.983
  350    HZ3  TRP  52           3HZ      TRP  52  14.174  -1.801 -19.846
  351    HH2  TRP  52           HH       TRP  52  12.023  -1.573 -21.064
  352    H    ASN  53           H        ASN  53  13.541  -4.424 -12.862
  353    HA   ASN  53           HA       ASN  53  13.652  -7.093 -11.567
  354    HB2  ASN  53           2HB      ASN  53  14.265  -4.285 -10.631
  355    HB3  ASN  53           1HB      ASN  53  14.137  -5.633  -9.501
  356   HD21  ASN  53          1HD2      ASN  53  16.371  -3.950 -11.354
  357   HD22  ASN  53          2HD2      ASN  53  17.562  -5.151 -11.489
  358    H    ASP  54           H        ASP  54  11.769  -7.933 -10.812
  359    HA   ASP  54           HA       ASP  54   9.250  -6.793 -10.866
  360    HB2  ASP  54           2HB      ASP  54   8.840  -8.303  -8.739
  361    HB3  ASP  54           1HB      ASP  54   9.215  -9.049 -10.292
  362    H    ASP  55           H        ASP  55   7.890  -5.838  -9.176
  363    HA   ASP  55           HA       ASP  55   9.445  -3.940  -7.518
  364    HB2  ASP  55           2HB      ASP  55   7.382  -3.400  -9.073
  365    HB3  ASP  55           1HB      ASP  55   6.450  -3.932  -7.674
  366    H    ARG  56           H        ARG  56  10.095  -5.139  -5.747
  367    HA   ARG  56           HA       ARG  56   8.091  -6.705  -4.208
  368    HB2  ARG  56           2HB      ARG  56  10.992  -6.694  -4.557
  369    HB3  ARG  56           1HB      ARG  56  10.524  -6.782  -2.862
  370    HG2  ARG  56           2HG      ARG  56  10.417  -9.044  -3.403
  371    HG3  ARG  56           1HG      ARG  56   8.778  -8.564  -3.840
  372    HD2  ARG  56           2HD      ARG  56   9.300  -9.501  -5.830
  373    HD3  ARG  56           1HD      ARG  56  10.064  -7.941  -6.092
  374    HE   ARG  56           HE       ARG  56  12.177  -8.999  -5.939
  375   HH11  ARG  56          1HH1      ARG  56   9.840 -11.327  -6.170
  376   HH12  ARG  56          2HH1      ARG  56  10.722 -12.579  -5.360
  377   HH21  ARG  56          1HH2      ARG  56  13.246 -10.464  -4.271
  378   HH22  ARG  56          2HH2      ARG  56  12.649 -12.091  -4.286
  379    H    CYS  57           H        CYS  57   7.079  -5.844  -2.498
  380    HA   CYS  57           HA       CYS  57   7.647  -3.132  -1.623
  381    HB2  CYS  57           2HB      CYS  57   5.938  -5.114  -0.120
  382    HB3  CYS  57           1HB      CYS  57   5.795  -3.361  -0.154
  383    H    THR  58           H        THR  58   8.337  -2.521   0.531
  384    HA   THR  58           HA       THR  58  10.500  -4.160   1.541
  385    HB   THR  58           HB       THR  58  10.819  -2.384   3.177
  386    HG1  THR  58           1HG      THR  58   8.961  -1.661   3.869
  387   HG21  THR  58          3HG2      THR  58  10.130  -1.548   0.365
  388   HG22  THR  58          1HG2      THR  58  11.723  -1.778   1.084
  389   HG23  THR  58          2HG2      THR  58  10.743  -0.384   1.540
  390    H    GLY  59           H        GLY  59   7.182  -4.298   2.025
  391    HA2  GLY  59           2HA      GLY  59   6.114  -5.931   3.424
  392    HA3  GLY  59           1HA      GLY  59   7.587  -6.031   4.388
  393    H    GLN  60           H        GLN  60   7.751  -3.045   4.529
  394    HA   GLN  60           HA       GLN  60   5.649  -2.670   6.614
  395    HB2  GLN  60           2HB      GLN  60   8.379  -1.395   6.266
  396    HB3  GLN  60           1HB      GLN  60   7.207  -0.884   7.480
  397    HG2  GLN  60           2HG      GLN  60   7.405  -3.714   7.659
  398    HG3  GLN  60           1HG      GLN  60   9.051  -3.083   7.595
  399   HE21  GLN  60          1HE2      GLN  60   9.786  -2.854   9.711
  400   HE22  GLN  60          2HE2      GLN  60   8.883  -2.197  10.989
  401    H    SER  61           H        SER  61   6.393  -1.836   3.473
  402    HA   SER  61           HA       SER  61   5.169   0.878   3.726
  403    HB2  SER  61           2HB      SER  61   7.212   0.980   2.489
  404    HB3  SER  61           1HB      SER  61   6.791  -0.444   1.542
  405    HG   SER  61           HG       SER  61   5.769   2.178   1.413
  406    H    ALA  62           H        ALA  62   3.126   1.216   2.960
  407    HA   ALA  62           HA       ALA  62   1.706  -1.094   1.771
  408    HB1  ALA  62           1HB      ALA  62   0.556   0.019   3.591
  409    HB2  ALA  62           2HB      ALA  62  -0.318   0.368   2.100
  410    HB3  ALA  62           3HB      ALA  62   0.744   1.587   2.806
  411    H    ASP  63           H        ASP  63   2.607   2.249   0.999
  412    HA   ASP  63           HA       ASP  63   1.308   2.089  -1.639
  413    HB2  ASP  63           2HB      ASP  63   2.846   4.187  -0.129
  414    HB3  ASP  63           1HB      ASP  63   2.643   4.348  -1.874
  415    H    CYS  64           H        CYS  64   2.383   0.564  -2.879
  416    HA   CYS  64           HA       CYS  64   5.164   0.048  -2.886
  417    HB2  CYS  64           2HB      CYS  64   3.655  -1.483  -3.984
  418    HB3  CYS  64           1HB      CYS  64   3.107  -0.225  -5.092
  419    HA   PRO  65           HA       PRO  65   6.611   3.738  -4.791
  420    HB2  PRO  65           2HB      PRO  65   9.238   2.982  -4.722
  421    HB3  PRO  65           1HB      PRO  65   8.383   3.623  -3.319
  422    HG2  PRO  65           2HG      PRO  65   9.262   0.845  -3.895
  423    HG3  PRO  65           1HG      PRO  65   8.903   1.609  -2.336
  424    HD2  PRO  65           2HD      PRO  65   7.210  -0.157  -3.787
  425    HD3  PRO  65           1HD      PRO  65   6.776   0.789  -2.347
  426    H    ARG  66           H        ARG  66   8.429   4.061  -6.638
  427    HA   ARG  66           HA       ARG  66   8.252   1.851  -8.624
  428    HB2  ARG  66           2HB      ARG  66   7.739   3.578 -10.391
  429    HB3  ARG  66           1HB      ARG  66   6.431   3.320  -9.237
  430    HG2  ARG  66           2HG      ARG  66   7.701   5.270  -7.928
  431    HG3  ARG  66           1HG      ARG  66   8.236   5.677  -9.559
  432    HD2  ARG  66           2HD      ARG  66   6.088   6.161 -10.290
  433    HD3  ARG  66           1HD      ARG  66   5.334   5.084  -9.116
  434    HE   ARG  66           HE       ARG  66   6.605   7.641  -8.236
  435   HH11  ARG  66          1HH2      ARG  66   4.767   5.172  -7.084
  436   HH12  ARG  66          2HH2      ARG  66   3.426   6.134  -6.559
  437   HH21  ARG  66          1HH1      ARG  66   4.533   9.014  -8.142
  438   HH22  ARG  66          2HH1      ARG  66   3.294   8.311  -7.157
  439    H    TYR  67           H        TYR  67  10.281   1.447  -9.335
  440    HA   TYR  67           HA       TYR  67  12.364   3.524  -8.966
  441    HB2  TYR  67           2HB      TYR  67  12.974   0.803 -10.057
  442    HB3  TYR  67           1HB      TYR  67  13.915   1.801  -8.949
  443    HD1  TYR  67           1HD      TYR  67  12.532   2.385  -6.674
  444    HD2  TYR  67           2HD      TYR  67  11.995  -1.098  -9.132
  445    HE1  TYR  67           1HE      TYR  67  11.543   1.176  -4.749
  446    HE2  TYR  67           2HE      TYR  67  11.008  -2.306  -7.205
  447    HH   TYR  67           HH       TYR  67  10.476  -0.672  -4.093
  448    H    HIS  68           H        HIS  68  11.220   1.319 -11.550
  449    HA   HIS  68           HA       HIS  68  12.781   2.511 -13.629
  450    HB2  HIS  68           2HB      HIS  68  11.637   0.296 -13.808
  451    HB3  HIS  68           1HB      HIS  68  10.088   1.136 -13.885
  452    HD1  HIS  68           1HD      HIS  68  13.436   1.614 -15.682
  453    HD2  HIS  68           2HD      HIS  68   9.361   1.362 -16.530
  454    HE1  HIS  68           1HE      HIS  68  13.204   1.912 -18.186
  Start of MODEL   14
    1    H    GLY   1           1HT      GLY   1   2.095  14.514   8.513
    2    HA2  GLY   1           1HA      GLY   1   2.911  16.572   6.606
    3    HA3  GLY   1           2HA      GLY   1   3.105  14.886   6.127
    4    H    LYS   2           H        LYS   2   1.390  15.172   4.547
    5    HA   LYS   2           HA       LYS   2  -1.214  16.118   5.085
    6    HB2  LYS   2           2HB      LYS   2  -0.566  13.781   3.269
    7    HB3  LYS   2           1HB      LYS   2  -1.913  14.911   3.124
    8    HG2  LYS   2           2HG      LYS   2  -0.642  16.318   1.920
    9    HG3  LYS   2           1HG      LYS   2   0.540  16.401   3.227
   10    HD2  LYS   2           2HD      LYS   2   1.855  14.707   2.331
   11    HD3  LYS   2           1HD      LYS   2   0.505  13.980   1.458
   12    HE2  LYS   2           2HE      LYS   2   1.134  15.104  -0.387
   13    HE3  LYS   2           1HE      LYS   2   0.802  16.618   0.454
   14    HZ1  LYS   2           3HZ      LYS   2   3.043  16.712  -0.195
   15    HZ2  LYS   2           1HZ      LYS   2   3.357  15.128   0.325
   16    HZ3  LYS   2           2HZ      LYS   2   3.076  16.355   1.467
   17    H    GLU   3           H        GLU   3  -3.063  15.150   5.942
   18    HA   GLU   3           HA       GLU   3  -2.598  12.582   7.395
   19    HB2  GLU   3           2HB      GLU   3  -4.260  15.012   7.914
   20    HB3  GLU   3           1HB      GLU   3  -4.872  13.461   8.490
   21    HG2  GLU   3           2HG      GLU   3  -2.125  13.507   9.147
   22    HG3  GLU   3           1HG      GLU   3  -2.761  15.091   9.591
   23    H    CYS   4           H        CYS   4  -2.995  11.639   5.114
   24    HA   CYS   4           HA       CYS   4  -5.859  10.916   4.974
   25    HB2  CYS   4           2HB      CYS   4  -4.385  12.482   2.932
   26    HB3  CYS   4           1HB      CYS   4  -5.369  11.154   2.319
   27    H    ASP   5           H        ASP   5  -5.262   8.800   5.604
   28    HA   ASP   5           HA       ASP   5  -3.175   7.375   4.107
   29    HB2  ASP   5           2HB      ASP   5  -4.491   7.053   6.621
   30    HB3  ASP   5           1HB      ASP   5  -4.788   5.597   5.671
   31    H    CYS   6           H        CYS   6  -6.325   8.188   3.461
   32    HA   CYS   6           HA       CYS   6  -6.541   5.984   1.489
   33    HB2  CYS   6           2HB      CYS   6  -8.769   6.740   3.404
   34    HB3  CYS   6           1HB      CYS   6  -8.889   5.566   2.094
   35    H    SER   7           H        SER   7  -7.925   6.563  -0.312
   36    HA   SER   7           HA       SER   7  -8.147   9.500  -0.646
   37    HB2  SER   7           2HB      SER   7  -7.484   7.354  -2.370
   38    HB3  SER   7           1HB      SER   7  -9.020   7.997  -2.946
   39    HG   SER   7           HG       SER   7  -8.069   9.822  -3.452
   40    H    SER   8           H        SER   8 -10.080   7.152   0.578
   41    HA   SER   8           HA       SER   8 -12.548   8.424  -0.527
   42    HB2  SER   8           2HB      SER   8 -12.393   5.674   0.719
   43    HB3  SER   8           1HB      SER   8 -13.709   6.356  -0.233
   44    HG   SER   8           HG       SER   8 -11.899   6.560  -1.891
   45    HA   PRO   9           HA       PRO   9 -12.966   9.706   3.725
   46    HB2  PRO   9           2HB      PRO   9 -15.274  11.147   3.336
   47    HB3  PRO   9           1HB      PRO   9 -13.663  11.752   2.913
   48    HG2  PRO   9           2HG      PRO   9 -15.824  10.760   1.118
   49    HG3  PRO   9           1HG      PRO   9 -14.514  11.901   0.772
   50    HD2  PRO   9           2HD      PRO   9 -14.584   9.168   0.019
   51    HD3  PRO   9           1HD      PRO   9 -13.165  10.235  -0.043
   52    H    GLU  10           H        GLU  10 -15.148   7.798   1.855
   53    HA   GLU  10           HA       GLU  10 -16.841   7.224   4.239
   54    HB2  GLU  10           2HB      GLU  10 -17.720   7.756   1.795
   55    HB3  GLU  10           1HB      GLU  10 -17.376   6.045   1.537
   56    HG2  GLU  10           2HG      GLU  10 -19.295   5.510   2.577
   57    HG3  GLU  10           1HG      GLU  10 -18.696   6.275   4.050
   58    H    ASN  11           H        ASN  11 -14.000   6.206   3.384
   59    HA   ASN  11           HA       ASN  11 -14.315   3.363   2.975
   60    HB2  ASN  11           2HB      ASN  11 -12.248   4.603   2.378
   61    HB3  ASN  11           1HB      ASN  11 -11.955   4.916   4.089
   62   HD21  ASN  11          1HD2      ASN  11 -10.946   2.911   1.672
   63   HD22  ASN  11          2HD2      ASN  11 -10.558   1.531   2.580
   64    HA   PRO  12           HA       PRO  12 -15.256   2.292   7.158
   65    HB2  PRO  12           2HB      PRO  12 -14.807  -0.412   6.919
   66    HB3  PRO  12           1HB      PRO  12 -16.259   0.399   6.307
   67    HG2  PRO  12           2HG      PRO  12 -13.910  -0.644   4.792
   68    HG3  PRO  12           1HG      PRO  12 -15.584  -0.432   4.257
   69    HD2  PRO  12           2HD      PRO  12 -13.428   1.288   3.644
   70    HD3  PRO  12           1HD      PRO  12 -15.151   1.663   3.428
   71    H    CYS  13           H        CYS  13 -12.297   0.927   5.690
   72    HA   CYS  13           HA       CYS  13 -11.052   0.482   8.290
   73    HB2  CYS  13           2HB      CYS  13 -10.471  -0.140   5.510
   74    HB3  CYS  13           1HB      CYS  13  -9.037   0.470   6.340
   75    H    CYS  14           H        CYS  14 -11.674   3.236   6.556
   76    HA   CYS  14           HA       CYS  14  -9.297   4.597   7.754
   77    HB2  CYS  14           2HB      CYS  14 -10.762   5.628   5.337
   78    HB3  CYS  14           1HB      CYS  14  -9.134   6.019   5.890
   79    H    ASP  15           H        ASP  15  -9.724   6.869   8.357
   80    HA   ASP  15           HA       ASP  15 -12.539   7.193   9.290
   81    HB2  ASP  15           2HB      ASP  15 -10.422   7.181  10.864
   82    HB3  ASP  15           1HB      ASP  15 -10.247   8.843  10.305
   83    H    ALA  16           H        ALA  16 -13.706   8.955   8.607
   84    HA   ALA  16           HA       ALA  16 -12.658  10.527   6.391
   85    HB1  ALA  16           1HB      ALA  16 -14.838  11.032   5.993
   86    HB2  ALA  16           2HB      ALA  16 -15.141  11.460   7.676
   87    HB3  ALA  16           3HB      ALA  16 -15.176   9.769   7.177
   88    H    ALA  17           H        ALA  17 -13.709  11.303   9.724
   89    HA   ALA  17           HA       ALA  17 -13.204  14.057   9.716
   90    HB1  ALA  17           1HB      ALA  17 -14.176  12.945  11.661
   91    HB2  ALA  17           2HB      ALA  17 -12.721  13.812  12.155
   92    HB3  ALA  17           3HB      ALA  17 -12.674  12.062  11.940
   93    H    THR  18           H        THR  18 -10.887  11.407  10.282
   94    HA   THR  18           HA       THR  18  -8.676  13.402  10.151
   95    HB   THR  18           HB       THR  18  -7.308  11.811  11.247
   96    HG1  THR  18           1HG      THR  18  -8.187   9.608  11.487
   97   HG21  THR  18          3HG2      THR  18  -9.519  12.681  12.464
   98   HG22  THR  18          1HG2      THR  18  -8.412  11.559  13.254
   99   HG23  THR  18          2HG2      THR  18  -9.882  10.956  12.489
  100    H    CYS  19           H        CYS  19 -10.378  11.370   8.131
  101    HA   CYS  19           HA       CYS  19  -9.922  10.468   6.009
  102    HB2  CYS  19           2HB      CYS  19  -9.322  12.836   5.584
  103    HB3  CYS  19           1HB      CYS  19  -7.678  12.509   6.128
  104    H    LYS  20           H        LYS  20  -8.388   9.516   8.535
  105    HA   LYS  20           HA       LYS  20  -6.334   7.983   6.993
  106    HB2  LYS  20           2HB      LYS  20  -6.040   9.245   9.727
  107    HB3  LYS  20           1HB      LYS  20  -4.925   8.035   9.091
  108    HG2  LYS  20           2HG      LYS  20  -4.489   9.510   7.134
  109    HG3  LYS  20           1HG      LYS  20  -5.541  10.733   7.848
  110    HD2  LYS  20           2HD      LYS  20  -3.706  11.508   8.910
  111    HD3  LYS  20           1HD      LYS  20  -3.804  10.063   9.918
  112    HE2  LYS  20           2HE      LYS  20  -2.218   8.901   8.628
  113    HE3  LYS  20           1HE      LYS  20  -2.433   9.966   7.238
  114    HZ1  LYS  20           3HZ      LYS  20  -0.488  10.174   9.138
  115    HZ2  LYS  20           1HZ      LYS  20  -1.596  11.379   9.578
  116    HZ3  LYS  20           2HZ      LYS  20  -0.923  11.374   8.018
  117    H    LEU  21           H        LEU  21  -5.681   5.947   8.202
  118    HA   LEU  21           HA       LEU  21  -7.763   4.188   8.597
  119    HB2  LEU  21           2HB      LEU  21  -5.011   4.283   9.798
  120    HB3  LEU  21           1HB      LEU  21  -6.132   2.989  10.232
  121    HG   LEU  21           HG       LEU  21  -6.119   3.452   7.364
  122   HD11  LEU  21          1HD1      LEU  21  -3.896   3.911   7.167
  123   HD12  LEU  21          2HD1      LEU  21  -3.714   2.185   7.462
  124   HD13  LEU  21          3HD1      LEU  21  -3.533   3.324   8.791
  125   HD21  LEU  21          3HD2      LEU  21  -6.702   1.408   9.045
  126   HD22  LEU  21          1HD2      LEU  21  -5.068   0.945   8.569
  127   HD23  LEU  21          2HD2      LEU  21  -6.315   1.167   7.342
  128    H    ARG  22           H        ARG  22  -9.366   3.986  10.056
  129    HA   ARG  22           HA       ARG  22  -9.363   5.721  12.428
  130    HB2  ARG  22           2HB      ARG  22 -11.349   4.844  10.757
  131    HB3  ARG  22           1HB      ARG  22 -11.548   3.769  12.142
  132    HG2  ARG  22           2HG      ARG  22 -11.101   6.648  12.742
  133    HG3  ARG  22           1HG      ARG  22 -12.667   6.214  12.054
  134    HD2  ARG  22           2HD      ARG  22 -13.293   4.997  13.897
  135    HD3  ARG  22           1HD      ARG  22 -11.643   4.483  14.248
  136    HE   ARG  22           HE       ARG  22 -11.321   6.931  15.032
  137   HH11  ARG  22          1HH2      ARG  22 -14.317   7.409  14.378
  138   HH12  ARG  22          2HH2      ARG  22 -14.987   7.367  15.975
  139   HH21  ARG  22          1HH1      ARG  22 -12.169   5.934  17.404
  140   HH22  ARG  22          2HH1      ARG  22 -13.771   6.532  17.689
  141    HA   PRO  23           HA       PRO  23  -9.479   1.452  14.565
  142    HB2  PRO  23           2HB      PRO  23  -9.108  -0.773  12.992
  143    HB3  PRO  23           1HB      PRO  23 -10.697  -0.069  13.339
  144    HG2  PRO  23           2HG      PRO  23  -9.113   0.035  10.823
  145    HG3  PRO  23           1HG      PRO  23 -10.862   0.192  11.055
  146    HD2  PRO  23           2HD      PRO  23  -9.019   2.310  10.617
  147    HD3  PRO  23           1HD      PRO  23 -10.722   2.478  11.091
  148    H    GLY  24           H        GLY  24  -7.767  -0.739  14.441
  149    HA2  GLY  24           2HA      GLY  24  -5.142   0.608  14.500
  150    HA3  GLY  24           1HA      GLY  24  -5.491  -1.005  15.121
  151    H    ALA  25           H        ALA  25  -6.622  -0.206  11.937
  152    HA   ALA  25           HA       ALA  25  -5.052  -2.347  10.772
  153    HB1  ALA  25           1HB      ALA  25  -7.030  -0.335   9.779
  154    HB2  ALA  25           2HB      ALA  25  -7.032  -2.091   9.604
  155    HB3  ALA  25           3HB      ALA  25  -5.974  -1.106   8.595
  156    H    GLN  26           H        GLN  26  -3.226  -2.167   9.419
  157    HA   GLN  26           HA       GLN  26  -1.651   0.285   9.791
  158    HB2  GLN  26           2HB      GLN  26  -1.080  -2.462   9.333
  159    HB3  GLN  26           1HB      GLN  26  -0.425  -1.564   7.963
  160    HG2  GLN  26           2HG      GLN  26   1.348  -1.246   9.369
  161    HG3  GLN  26           1HG      GLN  26   0.340   0.057   9.999
  162   HE21  GLN  26          1HE2      GLN  26   2.261  -2.268  11.170
  163   HE22  GLN  26          2HE2      GLN  26   1.403  -2.734  12.557
  164    H    CYS  27           H        CYS  27  -3.927  -0.782   7.545
  165    HA   CYS  27           HA       CYS  27  -3.451   1.464   5.801
  166    HB2  CYS  27           2HB      CYS  27  -1.737   0.426   4.675
  167    HB3  CYS  27           1HB      CYS  27  -2.298  -1.191   5.071
  168    H    GLY  28           H        GLY  28  -5.365   1.950   4.831
  169    HA2  GLY  28           2HA      GLY  28  -7.593   0.041   5.123
  170    HA3  GLY  28           1HA      GLY  28  -7.736   1.723   4.619
  171    H    GLU  29           H        GLU  29  -5.583   1.520   2.700
  172    HA   GLU  29           HA       GLU  29  -6.511  -0.492   0.753
  173    HB2  GLU  29           2HB      GLU  29  -7.073   1.116  -0.916
  174    HB3  GLU  29           1HB      GLU  29  -7.923   1.611   0.539
  175    HG2  GLU  29           2HG      GLU  29  -6.959   3.631   0.247
  176    HG3  GLU  29           1HG      GLU  29  -5.467   2.863   0.792
  177    H    GLY  30           H        GLY  30  -4.907  -0.865  -0.904
  178    HA2  GLY  30           2HA      GLY  30  -2.681   0.616  -1.582
  179    HA3  GLY  30           1HA      GLY  30  -2.197  -0.157  -0.071
  180    H    LEU  31           H        LEU  31  -0.854  -0.748  -2.434
  181    HA   LEU  31           HA       LEU  31  -1.839  -2.992  -3.887
  182    HB2  LEU  31           2HB      LEU  31   0.275  -1.434  -4.244
  183    HB3  LEU  31           1HB      LEU  31   1.089  -2.697  -3.327
  184    HG   LEU  31           HG       LEU  31   1.172  -3.083  -5.785
  185   HD11  LEU  31          1HD1      LEU  31   0.628  -5.418  -5.662
  186   HD12  LEU  31          2HD1      LEU  31  -0.575  -5.135  -4.405
  187   HD13  LEU  31          3HD1      LEU  31   1.140  -4.942  -4.044
  188   HD21  LEU  31          3HD2      LEU  31  -1.532  -2.304  -5.621
  189   HD22  LEU  31          1HD2      LEU  31  -1.559  -4.015  -6.050
  190   HD23  LEU  31          2HD2      LEU  31  -0.679  -2.867  -7.058
  191    H    CYS  32           H        CYS  32   0.393  -2.875  -1.092
  192    HA   CYS  32           HA       CYS  32  -0.074  -5.795  -0.736
  193    HB2  CYS  32           2HB      CYS  32   2.085  -3.971   0.365
  194    HB3  CYS  32           1HB      CYS  32   1.950  -5.695   0.719
  195    H    CYS  33           H        CYS  33  -2.268  -4.860   0.099
  196    HA   CYS  33           HA       CYS  33  -1.981  -4.440   3.043
  197    HB2  CYS  33           2HB      CYS  33  -3.938  -3.155   1.126
  198    HB3  CYS  33           1HB      CYS  33  -4.140  -3.124   2.874
  199    H    GLU  34           H        GLU  34  -2.428  -6.550   3.673
  200    HA   GLU  34           HA       GLU  34  -4.876  -7.833   2.565
  201    HB2  GLU  34           2HB      GLU  34  -2.968  -9.282   2.426
  202    HB3  GLU  34           1HB      GLU  34  -2.495  -8.922   4.088
  203    HG2  GLU  34           2HG      GLU  34  -4.208 -10.219   4.999
  204    HG3  GLU  34           1HG      GLU  34  -5.203 -10.104   3.547
  205    H    GLN  35           H        GLN  35  -6.681  -7.736   3.799
  206    HA   GLN  35           HA       GLN  35  -8.055  -7.520   5.683
  207    HB2  GLN  35           2HB      GLN  35  -6.736  -9.513   6.443
  208    HB3  GLN  35           1HB      GLN  35  -5.589  -8.412   7.205
  209    HG2  GLN  35           2HG      GLN  35  -8.145  -7.575   8.063
  210    HG3  GLN  35           1HG      GLN  35  -8.141  -9.334   8.195
  211   HE21  GLN  35          1HE2      GLN  35  -5.552  -9.941   8.926
  212   HE22  GLN  35          2HE2      GLN  35  -5.147  -9.185  10.390
  213    H    CYS  36           H        CYS  36  -6.546  -5.257   4.702
  214    HA   CYS  36           HA       CYS  36  -6.081  -3.052   5.338
  215    HB2  CYS  36           2HB      CYS  36  -7.645  -4.048   7.720
  216    HB3  CYS  36           1HB      CYS  36  -6.975  -2.416   7.676
  217    H    LYS  37           H        LYS  37  -4.087  -5.105   5.748
  218    HA   LYS  37           HA       LYS  37  -2.544  -3.769   7.919
  219    HB2  LYS  37           2HB      LYS  37  -3.393  -6.574   7.802
  220    HB3  LYS  37           1HB      LYS  37  -1.649  -6.390   7.997
  221    HG2  LYS  37           2HG      LYS  37  -1.855  -5.271  10.029
  222    HG3  LYS  37           1HG      LYS  37  -3.492  -4.718   9.673
  223    HD2  LYS  37           2HD      LYS  37  -4.157  -7.207   9.749
  224    HD3  LYS  37           1HD      LYS  37  -2.592  -7.473  10.518
  225    HE2  LYS  37           2HE      LYS  37  -4.437  -5.337  11.562
  226    HE3  LYS  37           1HE      LYS  37  -4.679  -7.021  12.028
  227    HZ1  LYS  37           3HZ      LYS  37  -2.340  -5.289  12.527
  228    HZ2  LYS  37           1HZ      LYS  37  -2.204  -6.979  12.579
  229    HZ3  LYS  37           2HZ      LYS  37  -3.260  -6.179  13.643
  230    H    PHE  38           H        PHE  38  -0.141  -4.348   7.679
  231    HA   PHE  38           HA       PHE  38   0.615  -3.947   4.887
  232    HB2  PHE  38           2HB      PHE  38   2.115  -4.149   7.492
  233    HB3  PHE  38           1HB      PHE  38   2.977  -4.163   5.958
  234    HD1  PHE  38           2HD      PHE  38   0.069  -2.311   5.374
  235    HD2  PHE  38           1HD      PHE  38   3.859  -2.015   7.381
  236    HE1  PHE  38           2HE      PHE  38  -0.056   0.155   5.255
  237    HE2  PHE  38           1HE      PHE  38   3.720   0.456   7.261
  238    HZ   PHE  38           HZ       PHE  38   1.763   1.543   6.200
  239    H    SER  39           H        SER  39   1.046  -5.550   3.469
  240    HA   SER  39           HA       SER  39   0.882  -8.317   4.157
  241    HB2  SER  39           2HB      SER  39   2.364  -7.262   1.744
  242    HB3  SER  39           1HB      SER  39   1.434  -8.750   1.890
  243    HG   SER  39           HG       SER  39   0.081  -7.371   0.886
  244    H    ARG  40           H        ARG  40   3.533  -8.691   2.413
  245    HA   ARG  40           HA       ARG  40   5.414  -8.361   4.705
  246    HB2  ARG  40           2HB      ARG  40   5.106 -10.795   2.918
  247    HB3  ARG  40           1HB      ARG  40   6.400 -10.572   4.097
  248    HG2  ARG  40           2HG      ARG  40   5.040 -11.032   5.861
  249    HG3  ARG  40           1HG      ARG  40   3.686 -10.137   5.171
  250    HD2  ARG  40           2HD      ARG  40   2.829 -12.259   4.948
  251    HD3  ARG  40           1HD      ARG  40   3.742 -12.191   3.440
  252    HE   ARG  40           HE       ARG  40   5.566 -13.426   4.632
  253   HH11  ARG  40          1HH1      ARG  40   2.434 -14.400   4.866
  254   HH12  ARG  40          2HH1      ARG  40   2.614 -15.337   6.311
  255   HH21  ARG  40          1HH2      ARG  40   5.802 -14.161   6.995
  256   HH22  ARG  40          2HH2      ARG  40   4.519 -15.201   7.516
  257    H    ALA  41           H        ALA  41   7.723  -8.378   3.969
  258    HA   ALA  41           HA       ALA  41   8.048  -6.705   1.632
  259    HB1  ALA  41           1HB      ALA  41   9.541  -7.036   3.837
  260    HB2  ALA  41           2HB      ALA  41  10.237  -6.464   2.321
  261    HB3  ALA  41           3HB      ALA  41  10.390  -8.161   2.776
  262    H    GLY  42           H        GLY  42   9.543  -7.315  -0.183
  263    HA2  GLY  42           2HA      GLY  42  10.204  -8.779  -1.903
  264    HA3  GLY  42           1HA      GLY  42   9.985 -10.116  -0.773
  265    H    LYS  43           H        LYS  43   7.329  -7.929  -1.163
  266    HA   LYS  43           HA       LYS  43   5.804 -10.113  -2.484
  267    HB2  LYS  43           2HB      LYS  43   4.537  -9.302  -0.694
  268    HB3  LYS  43           1HB      LYS  43   5.051  -7.641  -0.952
  269    HG2  LYS  43           2HG      LYS  43   2.725  -7.859  -1.657
  270    HG3  LYS  43           1HG      LYS  43   3.725  -7.608  -3.079
  271    HD2  LYS  43           2HD      LYS  43   3.151  -9.609  -3.938
  272    HD3  LYS  43           1HD      LYS  43   3.531 -10.433  -2.426
  273    HE2  LYS  43           2HE      LYS  43   1.155 -10.719  -2.960
  274    HE3  LYS  43           1HE      LYS  43   1.332  -9.729  -1.510
  275    HZ1  LYS  43           3HZ      LYS  43   0.492  -7.945  -2.532
  276    HZ2  LYS  43           1HZ      LYS  43  -0.126  -9.047  -3.664
  277    HZ3  LYS  43           2HZ      LYS  43   1.335  -8.238  -3.979
  278    H    ILE  44           H        ILE  44   5.647 -10.071  -4.662
  279    HA   ILE  44           HA       ILE  44   6.526  -7.897  -6.267
  280    HB   ILE  44           HB       ILE  44   5.348 -10.532  -6.682
  281   HG12  ILE  44          2HG1      ILE  44   7.671  -9.802  -7.203
  282   HG13  ILE  44          1HG1      ILE  44   6.849 -10.490  -8.605
  283   HG21  ILE  44          1HG2      ILE  44   3.473  -9.621  -7.774
  284   HG22  ILE  44          2HG2      ILE  44   4.616  -9.858  -9.095
  285   HG23  ILE  44          3HG2      ILE  44   4.388  -8.252  -8.405
  286   HD11  ILE  44          3HD1      ILE  44   7.322  -8.585  -9.714
  287   HD12  ILE  44          1HD1      ILE  44   7.906  -7.812  -8.241
  288   HD13  ILE  44          2HD1      ILE  44   6.190  -7.761  -8.642
  289    H    CYS  45           H        CYS  45   5.556  -5.945  -5.795
  290    HA   CYS  45           HA       CYS  45   2.631  -5.712  -5.592
  291    HB2  CYS  45           2HB      CYS  45   3.197  -3.205  -5.569
  292    HB3  CYS  45           1HB      CYS  45   3.788  -4.160  -4.210
  293    H    ARG  46           H        ARG  46   4.986  -5.706  -8.041
  294    HA   ARG  46           HA       ARG  46   2.962  -5.182 -10.085
  295    HB2  ARG  46           2HB      ARG  46   4.979  -3.134  -9.315
  296    HB3  ARG  46           1HB      ARG  46   4.753  -3.399 -11.044
  297    HG2  ARG  46           2HG      ARG  46   2.157  -3.355 -10.005
  298    HG3  ARG  46           1HG      ARG  46   2.997  -2.065  -9.145
  299    HD2  ARG  46           2HD      ARG  46   2.575  -0.814 -10.989
  300    HD3  ARG  46           1HD      ARG  46   3.894  -1.722 -11.727
  301    HE   ARG  46           HE       ARG  46   2.078  -3.326 -12.535
  302   HH11  ARG  46          1HH1      ARG  46   0.084  -1.488 -10.920
  303   HH12  ARG  46          2HH1      ARG  46  -0.725  -0.723 -12.248
  304   HH21  ARG  46          1HH2      ARG  46   1.625  -1.722 -14.595
  305   HH22  ARG  46          2HH2      ARG  46   0.149  -0.857 -14.330
  306    H    ILE  47           H        ILE  47   3.748  -5.784 -12.212
  307    HA   ILE  47           HA       ILE  47   6.268  -7.387 -12.081
  308    HB   ILE  47           HB       ILE  47   4.232  -8.721 -12.522
  309   HG12  ILE  47          2HG1      ILE  47   5.003  -9.640 -14.792
  310   HG13  ILE  47          1HG1      ILE  47   6.222  -8.365 -14.773
  311   HG21  ILE  47          1HG2      ILE  47   3.950  -7.345 -15.177
  312   HG22  ILE  47          2HG2      ILE  47   3.179  -6.643 -13.755
  313   HG23  ILE  47          3HG2      ILE  47   2.756  -8.275 -14.271
  314   HD11  ILE  47          3HD1      ILE  47   5.928 -10.720 -12.923
  315   HD12  ILE  47          1HD1      ILE  47   6.771  -9.268 -12.383
  316   HD13  ILE  47          2HD1      ILE  47   7.361 -10.161 -13.785
  317    H    ALA  48           H        ALA  48   7.742  -5.813 -12.757
  318    HA   ALA  48           HA       ALA  48   7.248  -3.976 -14.913
  319    HB1  ALA  48           1HB      ALA  48   9.991  -4.929 -14.096
  320    HB2  ALA  48           2HB      ALA  48   9.051  -3.853 -13.062
  321    HB3  ALA  48           3HB      ALA  48   9.512  -3.338 -14.684
  322    H    ARG  49           H        ARG  49   8.024  -4.052 -17.070
  323    HA   ARG  49           HA       ARG  49   8.981  -6.716 -18.017
  324    HB2  ARG  49           2HB      ARG  49   6.941  -5.020 -19.485
  325    HB3  ARG  49           1HB      ARG  49   7.473  -6.650 -19.898
  326    HG2  ARG  49           2HG      ARG  49   6.098  -7.617 -18.371
  327    HG3  ARG  49           1HG      ARG  49   6.437  -6.386 -17.154
  328    HD2  ARG  49           2HD      ARG  49   4.438  -5.451 -17.594
  329    HD3  ARG  49           1HD      ARG  49   5.002  -5.092 -19.226
  330    HE   ARG  49           HE       ARG  49   4.225  -7.746 -19.374
  331   HH11  ARG  49          1HH1      ARG  49   2.236  -7.315 -17.268
  332   HH12  ARG  49          2HH1      ARG  49   0.872  -6.682 -18.127
  333   HH21  ARG  49          1HH2      ARG  49   2.703  -5.843 -20.950
  334   HH22  ARG  49          2HH2      ARG  49   1.137  -5.849 -20.212
  335    H    GLY  50           H        GLY  50  10.730  -6.526 -19.358
  336    HA2  GLY  50           2HA      GLY  50  11.457  -5.026 -21.400
  337    HA3  GLY  50           1HA      GLY  50  11.520  -3.774 -20.162
  338    H    ASP  51           H        ASP  51  13.234  -3.784 -18.694
  339    HA   ASP  51           HA       ASP  51  15.081  -6.060 -18.579
  340    HB2  ASP  51           2HB      ASP  51  15.524  -4.021 -20.501
  341    HB3  ASP  51           1HB      ASP  51  16.707  -3.772 -19.216
  342    H    TRP  52           H        TRP  52  13.540  -4.780 -16.569
  343    HA   TRP  52           HA       TRP  52  15.744  -3.633 -14.915
  344    HB2  TRP  52           2HB      TRP  52  13.647  -2.360 -13.820
  345    HB3  TRP  52           1HB      TRP  52  14.575  -1.667 -15.148
  346    HD1  TRP  52           HD       TRP  52  11.707  -4.275 -15.024
  347    HE1  TRP  52           1HE      TRP  52   9.937  -3.590 -16.771
  348    HE3  TRP  52           3HE      TRP  52  13.843   0.003 -16.814
  349    HZ2  TRP  52           2HZ      TRP  52   9.488  -1.502 -18.674
  350    HZ3  TRP  52           3HZ      TRP  52  12.724   1.320 -18.592
  351    HH2  TRP  52           HH       TRP  52  10.551   0.573 -19.523
  352    H    ASN  53           H        ASN  53  14.851  -3.611 -12.482
  353    HA   ASN  53           HA       ASN  53  14.232  -6.406 -11.891
  354    HB2  ASN  53           2HB      ASN  53  14.479  -4.031 -10.017
  355    HB3  ASN  53           1HB      ASN  53  14.477  -5.731  -9.545
  356   HD21  ASN  53          1HD2      ASN  53  16.578  -3.225 -10.021
  357   HD22  ASN  53          2HD2      ASN  53  17.958  -4.089 -10.500
  358    H    ASP  54           H        ASP  54  12.418  -6.949 -10.352
  359    HA   ASP  54           HA       ASP  54   9.943  -5.669 -11.297
  360    HB2  ASP  54           2HB      ASP  54  10.392  -7.975  -9.376
  361    HB3  ASP  54           1HB      ASP  54   8.823  -7.458  -9.993
  362    H    ASP  55           H        ASP  55   8.212  -5.460  -9.376
  363    HA   ASP  55           HA       ASP  55   9.483  -3.650  -7.378
  364    HB2  ASP  55           2HB      ASP  55   6.532  -3.889  -8.004
  365    HB3  ASP  55           1HB      ASP  55   7.364  -2.559  -7.199
  366    H    ARG  56           H        ARG  56   9.627  -4.369  -5.303
  367    HA   ARG  56           HA       ARG  56   7.754  -6.538  -4.443
  368    HB2  ARG  56           2HB      ARG  56  10.682  -6.232  -3.724
  369    HB3  ARG  56           1HB      ARG  56   9.600  -7.487  -3.115
  370    HG2  ARG  56           2HG      ARG  56   9.310  -7.543  -5.913
  371    HG3  ARG  56           1HG      ARG  56  11.043  -7.392  -5.623
  372    HD2  ARG  56           2HD      ARG  56  10.973  -9.312  -4.092
  373    HD3  ARG  56           1HD      ARG  56   9.232  -9.455  -4.334
  374    HE   ARG  56           HE       ARG  56  10.116  -9.670  -6.886
  375   HH11  ARG  56          1HH1      ARG  56   9.338 -12.103  -5.274
  376   HH12  ARG  56          2HH1      ARG  56  10.758 -13.084  -5.414
  377   HH21  ARG  56          1HH2      ARG  56  12.776 -10.476  -6.491
  378   HH22  ARG  56          2HH2      ARG  56  12.706 -12.163  -6.102
  379    H    CYS  57           H        CYS  57   6.456  -5.751  -2.847
  380    HA   CYS  57           HA       CYS  57   6.837  -3.339  -1.435
  381    HB2  CYS  57           2HB      CYS  57   5.345  -5.868  -0.742
  382    HB3  CYS  57           1HB      CYS  57   5.382  -4.505   0.370
  383    H    THR  58           H        THR  58   7.675  -2.947   0.714
  384    HA   THR  58           HA       THR  58   9.932  -4.733   1.378
  385    HB   THR  58           HB       THR  58  10.892  -2.927   2.438
  386    HG1  THR  58           1HG      THR  58   9.829  -1.906   3.920
  387   HG21  THR  58          3HG2      THR  58   8.826  -1.408   0.837
  388   HG22  THR  58          1HG2      THR  58  10.169  -2.271   0.088
  389   HG23  THR  58          2HG2      THR  58  10.487  -0.929   1.187
  390    H    GLY  59           H        GLY  59   6.779  -4.835   2.107
  391    HA2  GLY  59           2HA      GLY  59   5.792  -6.233   3.780
  392    HA3  GLY  59           1HA      GLY  59   7.309  -6.185   4.680
  393    H    GLN  60           H        GLN  60   7.581  -3.294   4.600
  394    HA   GLN  60           HA       GLN  60   5.520  -2.622   6.634
  395    HB2  GLN  60           2HB      GLN  60   8.005  -1.025   5.981
  396    HB3  GLN  60           1HB      GLN  60   7.045  -0.986   7.461
  397    HG2  GLN  60           2HG      GLN  60   7.861  -3.683   7.053
  398    HG3  GLN  60           1HG      GLN  60   9.286  -2.666   6.842
  399   HE21  GLN  60          1HE2      GLN  60   9.949  -1.306   8.684
  400   HE22  GLN  60          2HE2      GLN  60   9.388  -1.636  10.252
  401    H    SER  61           H        SER  61   5.983  -2.259   3.372
  402    HA   SER  61           HA       SER  61   4.735   0.459   3.343
  403    HB2  SER  61           2HB      SER  61   6.125  -1.066   1.121
  404    HB3  SER  61           1HB      SER  61   5.438   0.548   0.973
  405    HG   SER  61           HG       SER  61   7.332  -0.092   2.968
  406    H    ALA  62           H        ALA  62   2.573   0.481   2.975
  407    HA   ALA  62           HA       ALA  62   1.131  -1.908   2.184
  408    HB1  ALA  62           1HB      ALA  62  -0.355  -0.653   3.369
  409    HB2  ALA  62           2HB      ALA  62  -0.655   0.145   1.825
  410    HB3  ALA  62           3HB      ALA  62   0.471   0.856   2.982
  411    H    ASP  63           H        ASP  63   1.710   1.235   0.578
  412    HA   ASP  63           HA       ASP  63   0.655   0.199  -1.960
  413    HB2  ASP  63           2HB      ASP  63   1.877   2.821  -1.088
  414    HB3  ASP  63           1HB      ASP  63   1.551   2.479  -2.787
  415    H    CYS  64           H        CYS  64   2.300   1.029  -3.891
  416    HA   CYS  64           HA       CYS  64   4.963  -0.161  -3.266
  417    HB2  CYS  64           2HB      CYS  64   3.620  -1.858  -4.392
  418    HB3  CYS  64           1HB      CYS  64   3.220  -0.726  -5.682
  419    HA   PRO  65           HA       PRO  65   6.206   3.604  -5.158
  420    HB2  PRO  65           2HB      PRO  65   8.880   3.128  -4.826
  421    HB3  PRO  65           1HB      PRO  65   7.834   3.717  -3.534
  422    HG2  PRO  65           2HG      PRO  65   9.020   1.019  -3.935
  423    HG3  PRO  65           1HG      PRO  65   8.481   1.796  -2.436
  424    HD2  PRO  65           2HD      PRO  65   7.067  -0.175  -3.895
  425    HD3  PRO  65           1HD      PRO  65   6.420   0.823  -2.577
  426    H    ARG  66           H        ARG  66   7.194   4.223  -7.163
  427    HA   ARG  66           HA       ARG  66   7.482   2.003  -9.094
  428    HB2  ARG  66           2HB      ARG  66   7.561   5.001  -9.555
  429    HB3  ARG  66           1HB      ARG  66   7.435   3.754 -10.797
  430    HG2  ARG  66           2HG      ARG  66   5.200   4.352 -10.530
  431    HG3  ARG  66           1HG      ARG  66   5.329   2.998  -9.408
  432    HD2  ARG  66           2HD      ARG  66   5.367   4.388  -7.527
  433    HD3  ARG  66           1HD      ARG  66   5.904   5.790  -8.452
  434    HE   ARG  66           HE       ARG  66   3.118   4.759  -8.344
  435   HH11  ARG  66          1HH1      ARG  66   4.558   6.127 -10.867
  436   HH12  ARG  66          2HH1      ARG  66   3.805   7.683 -10.769
  437   HH21  ARG  66          1HH2      ARG  66   2.525   7.160  -7.589
  438   HH22  ARG  66          2HH2      ARG  66   2.653   8.268  -8.913
  439    H    TYR  67           H        TYR  67   9.356   2.071 -10.628
  440    HA   TYR  67           HA       TYR  67  11.800   3.175  -9.300
  441    HB2  TYR  67           2HB      TYR  67  11.576   0.559 -10.822
  442    HB3  TYR  67           1HB      TYR  67  13.026   1.189 -10.040
  443    HD1  TYR  67           2HD      TYR  67  12.990   1.574  -7.520
  444    HD2  TYR  67           1HD      TYR  67   9.958  -0.658  -9.587
  445    HE1  TYR  67           2HE      TYR  67  12.285   0.547  -5.376
  446    HE2  TYR  67           1HE      TYR  67   9.254  -1.686  -7.443
  447    HH   TYR  67           HH       TYR  67  11.043  -1.088  -4.445
  448    H    HIS  68           H        HIS  68  10.386   2.091 -12.396
  449    HA   HIS  68           HA       HIS  68  12.014   4.208 -13.730
  450    HB2  HIS  68           2HB      HIS  68  11.925   1.290 -14.299
  451    HB3  HIS  68           1HB      HIS  68  11.903   2.365 -15.698
  452    HD1  HIS  68           1HD      HIS  68  14.278   0.580 -13.894
  453    HD2  HIS  68           2HD      HIS  68  14.063   4.595 -14.996
  454    HE1  HIS  68           1HE      HIS  68  16.642   1.480 -13.785
  Start of MODEL   15
    1    H    GLY   1           1HT      GLY   1   3.606  17.011   4.353
    2    HA2  GLY   1           1HA      GLY   1   2.630  17.428   7.120
    3    HA3  GLY   1           2HA      GLY   1   2.495  18.651   5.856
    4    H    LYS   2           H        LYS   2   2.089  15.094   5.794
    5    HA   LYS   2           HA       LYS   2  -0.397  15.473   4.240
    6    HB2  LYS   2           2HB      LYS   2   1.639  13.527   4.260
    7    HB3  LYS   2           1HB      LYS   2   0.203  12.718   4.890
    8    HG2  LYS   2           2HG      LYS   2  -0.309  12.457   2.682
    9    HG3  LYS   2           1HG      LYS   2  -0.884  14.119   2.825
   10    HD2  LYS   2           2HD      LYS   2   0.846  14.958   1.606
   11    HD3  LYS   2           1HD      LYS   2   2.017  13.851   2.326
   12    HE2  LYS   2           2HE      LYS   2   0.676  12.041   0.929
   13    HE3  LYS   2           1HE      LYS   2   0.232  13.442  -0.046
   14    HZ1  LYS   2           3HZ      LYS   2   2.454  13.890  -0.540
   15    HZ2  LYS   2           1HZ      LYS   2   2.332  12.206  -0.687
   16    HZ3  LYS   2           2HZ      LYS   2   3.039  12.887   0.700
   17    H    GLU   3           H        GLU   3  -2.097  13.589   4.928
   18    HA   GLU   3           HA       GLU   3  -2.365  13.078   7.755
   19    HB2  GLU   3           2HB      GLU   3  -4.260  14.582   8.212
   20    HB3  GLU   3           1HB      GLU   3  -2.823  15.510   7.784
   21    HG2  GLU   3           2HG      GLU   3  -4.233  14.855   5.374
   22    HG3  GLU   3           1HG      GLU   3  -5.375  15.561   6.518
   23    H    CYS   4           H        CYS   4  -2.679  11.820   5.058
   24    HA   CYS   4           HA       CYS   4  -5.356  10.647   5.593
   25    HB2  CYS   4           2HB      CYS   4  -5.681  12.285   3.779
   26    HB3  CYS   4           1HB      CYS   4  -4.383  11.528   2.856
   27    H    ASP   5           H        ASP   5  -5.431   8.436   5.199
   28    HA   ASP   5           HA       ASP   5  -2.871   7.198   4.274
   29    HB2  ASP   5           2HB      ASP   5  -3.836   6.917   6.746
   30    HB3  ASP   5           1HB      ASP   5  -4.821   5.681   5.964
   31    H    CYS   6           H        CYS   6  -6.285   7.450   3.814
   32    HA   CYS   6           HA       CYS   6  -6.116   5.315   1.724
   33    HB2  CYS   6           2HB      CYS   6  -8.354   4.629   2.206
   34    HB3  CYS   6           1HB      CYS   6  -7.545   4.746   3.768
   35    H    SER   7           H        SER   7  -6.766   5.964  -0.303
   36    HA   SER   7           HA       SER   7  -7.522   8.791  -0.631
   37    HB2  SER   7           2HB      SER   7  -7.439   8.077  -3.124
   38    HB3  SER   7           1HB      SER   7  -5.926   8.109  -2.225
   39    HG   SER   7           HG       SER   7  -7.429   5.762  -2.161
   40    H    SER   8           H        SER   8  -9.355   6.499   0.418
   41    HA   SER   8           HA       SER   8 -11.649   7.248  -1.332
   42    HB2  SER   8           2HB      SER   8 -11.327   4.477  -0.177
   43    HB3  SER   8           1HB      SER   8 -12.464   5.013  -1.410
   44    HG   SER   8           HG       SER   8 -10.304   5.623  -2.503
   45    HA   PRO   9           HA       PRO   9 -13.237   8.142   2.738
   46    HB2  PRO   9           2HB      PRO   9 -15.629   9.173   1.862
   47    HB3  PRO   9           1HB      PRO   9 -14.108  10.080   1.837
   48    HG2  PRO   9           2HG      PRO   9 -15.588   8.839  -0.433
   49    HG3  PRO   9           1HG      PRO   9 -14.477  10.219  -0.439
   50    HD2  PRO   9           2HD      PRO   9 -13.852   7.580  -1.258
   51    HD3  PRO   9           1HD      PRO   9 -12.685   8.885  -0.954
   52    H    GLU  10           H        GLU  10 -14.724   6.129   0.307
   53    HA   GLU  10           HA       GLU  10 -16.918   5.185   1.968
   54    HB2  GLU  10           2HB      GLU  10 -17.260   3.531   0.208
   55    HB3  GLU  10           1HB      GLU  10 -16.937   5.098  -0.535
   56    HG2  GLU  10           2HG      GLU  10 -14.401   4.017  -0.199
   57    HG3  GLU  10           1HG      GLU  10 -15.377   2.625  -0.668
   58    H    ASN  11           H        ASN  11 -13.646   4.765   2.228
   59    HA   ASN  11           HA       ASN  11 -13.756   1.928   3.044
   60    HB2  ASN  11           2HB      ASN  11 -11.790   2.427   1.833
   61    HB3  ASN  11           1HB      ASN  11 -11.552   3.953   2.683
   62   HD21  ASN  11          1HD2      ASN  11  -9.390   3.325   3.389
   63   HD22  ASN  11          2HD2      ASN  11  -9.163   2.154   4.596
   64    HA   PRO  12           HA       PRO  12 -14.472   3.408   7.214
   65    HB2  PRO  12           2HB      PRO  12 -14.897   0.913   8.281
   66    HB3  PRO  12           1HB      PRO  12 -16.129   1.816   7.384
   67    HG2  PRO  12           2HG      PRO  12 -14.525  -0.539   6.512
   68    HG3  PRO  12           1HG      PRO  12 -16.119  -0.001   5.960
   69    HD2  PRO  12           2HD      PRO  12 -13.664   0.387   4.595
   70    HD3  PRO  12           1HD      PRO  12 -15.210   1.176   4.215
   71    H    CYS  13           H        CYS  13 -12.021   1.230   6.087
   72    HA   CYS  13           HA       CYS  13 -10.723   0.745   8.620
   73    HB2  CYS  13           2HB      CYS  13 -10.167   0.243   5.775
   74    HB3  CYS  13           1HB      CYS  13  -8.721   0.535   6.743
   75    H    CYS  14           H        CYS  14 -11.116   3.582   6.900
   76    HA   CYS  14           HA       CYS  14  -8.746   4.753   8.270
   77    HB2  CYS  14           2HB      CYS  14  -8.252   6.138   6.325
   78    HB3  CYS  14           1HB      CYS  14  -8.220   4.436   5.861
   79    H    ASP  15           H        ASP  15  -9.412   6.321   9.607
   80    HA   ASP  15           HA       ASP  15 -12.033   7.287   9.847
   81    HB2  ASP  15           2HB      ASP  15  -9.823   7.642  11.313
   82    HB3  ASP  15           1HB      ASP  15  -9.791   9.171  10.440
   83    H    ALA  16           H        ALA  16 -13.138   8.174   8.151
   84    HA   ALA  16           HA       ALA  16 -11.944   9.596   5.981
   85    HB1  ALA  16           1HB      ALA  16 -14.052   8.954   5.353
   86    HB2  ALA  16           2HB      ALA  16 -14.484  10.549   5.968
   87    HB3  ALA  16           3HB      ALA  16 -14.698   9.124   6.985
   88    H    ALA  17           H        ALA  17 -13.154  10.622   9.118
   89    HA   ALA  17           HA       ALA  17 -13.403  13.391   8.738
   90    HB1  ALA  17           1HB      ALA  17 -13.531  11.767  10.907
   91    HB2  ALA  17           2HB      ALA  17 -13.431  13.524  11.026
   92    HB3  ALA  17           3HB      ALA  17 -11.975  12.545  11.201
   93    H    THR  18           H        THR  18 -10.449  11.562   9.585
   94    HA   THR  18           HA       THR  18  -8.848  13.975   8.891
   95    HB   THR  18           HB       THR  18  -8.204  13.103  11.015
   96    HG1  THR  18           1HG      THR  18  -6.153  11.853  10.205
   97   HG21  THR  18          3HG2      THR  18  -8.705  10.503   9.669
   98   HG22  THR  18          1HG2      THR  18  -9.041  10.996  11.329
   99   HG23  THR  18          2HG2      THR  18  -7.407  10.526  10.861
  100    H    CYS  19           H        CYS  19  -9.808  10.925   7.676
  101    HA   CYS  19           HA       CYS  19  -9.380  10.031   5.526
  102    HB2  CYS  19           2HB      CYS  19  -8.636  12.509   5.044
  103    HB3  CYS  19           1HB      CYS  19  -7.009  11.844   5.181
  104    H    LYS  20           H        LYS  20  -7.777   9.668   8.242
  105    HA   LYS  20           HA       LYS  20  -5.529   8.117   7.014
  106    HB2  LYS  20           2HB      LYS  20  -5.808   9.110   9.865
  107    HB3  LYS  20           1HB      LYS  20  -4.426   8.240   9.201
  108    HG2  LYS  20           2HG      LYS  20  -3.950  10.059   7.657
  109    HG3  LYS  20           1HG      LYS  20  -5.416  10.909   8.151
  110    HD2  LYS  20           2HD      LYS  20  -3.653  11.949   9.368
  111    HD3  LYS  20           1HD      LYS  20  -4.449  10.881  10.524
  112    HE2  LYS  20           2HE      LYS  20  -2.668   9.130   9.630
  113    HE3  LYS  20           1HE      LYS  20  -1.776  10.591   9.209
  114    HZ1  LYS  20           3HZ      LYS  20  -1.106  10.549  11.320
  115    HZ2  LYS  20           1HZ      LYS  20  -2.310   9.451  11.792
  116    HZ3  LYS  20           2HZ      LYS  20  -2.661  11.111  11.712
  117    H    LEU  21           H        LEU  21  -4.939   6.380   9.053
  118    HA   LEU  21           HA       LEU  21  -7.062   4.415   8.786
  119    HB2  LEU  21           2HB      LEU  21  -4.301   4.486   9.789
  120    HB3  LEU  21           1HB      LEU  21  -5.359   3.398  10.690
  121    HG   LEU  21           HG       LEU  21  -5.653   3.284   7.749
  122   HD11  LEU  21          1HD1      LEU  21  -3.046   3.332   8.789
  123   HD12  LEU  21          2HD1      LEU  21  -3.536   2.743   7.200
  124   HD13  LEU  21          3HD1      LEU  21  -3.413   1.622   8.556
  125   HD21  LEU  21          3HD2      LEU  21  -6.788   1.518   8.625
  126   HD22  LEU  21          1HD2      LEU  21  -5.879   1.567  10.135
  127   HD23  LEU  21          2HD2      LEU  21  -5.203   0.750   8.725
  128    H    ARG  22           H        ARG  22  -8.839   4.357  10.077
  129    HA   ARG  22           HA       ARG  22  -8.836   5.845  12.610
  130    HB2  ARG  22           2HB      ARG  22 -10.815   6.083  11.264
  131    HB3  ARG  22           1HB      ARG  22 -11.012   4.340  11.137
  132    HG2  ARG  22           2HG      ARG  22 -10.847   5.022  13.912
  133    HG3  ARG  22           1HG      ARG  22 -12.040   6.073  13.151
  134    HD2  ARG  22           2HD      ARG  22 -12.372   3.415  12.124
  135    HD3  ARG  22           1HD      ARG  22 -12.342   3.341  13.885
  136    HE   ARG  22           HE       ARG  22 -14.363   4.745  12.246
  137   HH11  ARG  22          1HH1      ARG  22 -12.985   5.763  15.013
  138   HH12  ARG  22          2HH1      ARG  22 -14.350   5.517  16.051
  139   HH21  ARG  22          1HH2      ARG  22 -16.133   3.683  13.711
  140   HH22  ARG  22          2HH2      ARG  22 -16.132   4.339  15.315
  141    HA   PRO  23           HA       PRO  23  -9.511   1.418  14.267
  142    HB2  PRO  23           2HB      PRO  23  -9.001  -0.674  12.560
  143    HB3  PRO  23           1HB      PRO  23 -10.598   0.072  12.743
  144    HG2  PRO  23           2HG      PRO  23  -8.661   0.319  10.497
  145    HG3  PRO  23           1HG      PRO  23 -10.419   0.532  10.490
  146    HD2  PRO  23           2HD      PRO  23  -8.469   2.600  10.513
  147    HD3  PRO  23           1HD      PRO  23 -10.216   2.792  10.757
  148    H    GLY  24           H        GLY  24  -7.893  -0.756  14.353
  149    HA2  GLY  24           2HA      GLY  24  -5.208   0.447  14.642
  150    HA3  GLY  24           1HA      GLY  24  -5.713  -1.118  15.282
  151    H    ALA  25           H        ALA  25  -6.536  -0.382  12.003
  152    HA   ALA  25           HA       ALA  25  -4.949  -2.626  11.041
  153    HB1  ALA  25           1HB      ALA  25  -6.710  -2.541   9.616
  154    HB2  ALA  25           2HB      ALA  25  -5.816  -1.262   8.794
  155    HB3  ALA  25           3HB      ALA  25  -7.039  -0.850   9.995
  156    H    GLN  26           H        GLN  26  -2.993  -2.537   9.962
  157    HA   GLN  26           HA       GLN  26  -1.408  -0.124  10.201
  158    HB2  GLN  26           2HB      GLN  26  -0.987  -2.911   9.465
  159    HB3  GLN  26           1HB      GLN  26  -0.101  -1.819   8.400
  160    HG2  GLN  26           2HG      GLN  26   1.441  -1.573  10.018
  161    HG3  GLN  26           1HG      GLN  26   0.212  -0.790  11.012
  162   HE21  GLN  26          1HE2      GLN  26   0.762  -1.763  13.039
  163   HE22  GLN  26          2HE2      GLN  26   0.650  -3.432  13.320
  164    H    CYS  27           H        CYS  27  -3.769  -1.014   8.002
  165    HA   CYS  27           HA       CYS  27  -3.140   1.179   6.219
  166    HB2  CYS  27           2HB      CYS  27  -2.741  -0.152   4.195
  167    HB3  CYS  27           1HB      CYS  27  -1.504  -0.488   5.406
  168    H    GLY  28           H        GLY  28  -4.971   1.754   5.072
  169    HA2  GLY  28           2HA      GLY  28  -7.371   0.055   5.517
  170    HA3  GLY  28           1HA      GLY  28  -7.399   1.763   5.083
  171    H    GLU  29           H        GLU  29  -5.426   1.582   3.021
  172    HA   GLU  29           HA       GLU  29  -6.511  -0.356   1.079
  173    HB2  GLU  29           2HB      GLU  29  -7.222   1.274  -0.492
  174    HB3  GLU  29           1HB      GLU  29  -7.910   1.787   1.042
  175    HG2  GLU  29           2HG      GLU  29  -6.941   3.787   0.634
  176    HG3  GLU  29           1HG      GLU  29  -5.423   2.995   1.057
  177    H    GLY  30           H        GLY  30  -5.182  -0.258  -0.995
  178    HA2  GLY  30           2HA      GLY  30  -2.966   1.074  -1.684
  179    HA3  GLY  30           1HA      GLY  30  -2.353   0.224  -0.266
  180    H    LEU  31           H        LEU  31  -0.963  -0.528  -2.294
  181    HA   LEU  31           HA       LEU  31  -2.219  -2.637  -3.897
  182    HB2  LEU  31           2HB      LEU  31   0.673  -1.770  -3.603
  183    HB3  LEU  31           1HB      LEU  31   0.107  -2.985  -4.748
  184    HG   LEU  31           HG       LEU  31  -1.605  -0.890  -5.235
  185   HD11  LEU  31          1HD1      LEU  31  -0.352   1.144  -5.302
  186   HD12  LEU  31          2HD1      LEU  31   1.153   0.306  -4.923
  187   HD13  LEU  31          3HD1      LEU  31  -0.097   0.474  -3.690
  188   HD21  LEU  31          3HD2      LEU  31  -0.751  -1.138  -7.326
  189   HD22  LEU  31          1HD2      LEU  31   0.238  -2.411  -6.610
  190   HD23  LEU  31          2HD2      LEU  31   0.890  -0.782  -6.789
  191    H    CYS  32           H        CYS  32  -0.018  -2.432  -1.119
  192    HA   CYS  32           HA       CYS  32  -0.103  -5.409  -0.939
  193    HB2  CYS  32           2HB      CYS  32   1.961  -3.418  -0.473
  194    HB3  CYS  32           1HB      CYS  32   1.742  -4.458   0.936
  195    H    CYS  33           H        CYS  33  -2.210  -3.435   0.028
  196    HA   CYS  33           HA       CYS  33  -2.007  -3.852   2.957
  197    HB2  CYS  33           2HB      CYS  33  -2.752  -1.635   2.177
  198    HB3  CYS  33           1HB      CYS  33  -4.106  -2.379   1.334
  199    H    GLU  34           H        GLU  34  -2.485  -5.983   3.369
  200    HA   GLU  34           HA       GLU  34  -4.930  -7.140   2.119
  201    HB2  GLU  34           2HB      GLU  34  -2.732  -8.375   1.929
  202    HB3  GLU  34           1HB      GLU  34  -2.759  -8.567   3.682
  203    HG2  GLU  34           2HG      GLU  34  -4.917  -9.746   3.528
  204    HG3  GLU  34           1HG      GLU  34  -4.902  -9.550   1.776
  205    H    GLN  35           H        GLN  35  -6.715  -7.367   3.387
  206    HA   GLN  35           HA       GLN  35  -8.055  -7.403   5.311
  207    HB2  GLN  35           2HB      GLN  35  -5.876  -9.098   5.823
  208    HB3  GLN  35           1HB      GLN  35  -5.995  -8.068   7.250
  209    HG2  GLN  35           2HG      GLN  35  -8.303  -8.672   7.587
  210    HG3  GLN  35           1HG      GLN  35  -8.365  -9.510   6.036
  211   HE21  GLN  35          1HE2      GLN  35  -9.081 -11.104   8.110
  212   HE22  GLN  35          2HE2      GLN  35  -7.832 -12.164   8.556
  213    H    CYS  36           H        CYS  36  -6.629  -4.987   4.528
  214    HA   CYS  36           HA       CYS  36  -6.268  -2.832   5.369
  215    HB2  CYS  36           2HB      CYS  36  -7.791  -4.129   7.624
  216    HB3  CYS  36           1HB      CYS  36  -7.152  -2.493   7.793
  217    H    LYS  37           H        LYS  37  -4.374  -5.186   5.842
  218    HA   LYS  37           HA       LYS  37  -2.711  -3.811   7.907
  219    HB2  LYS  37           2HB      LYS  37  -3.656  -6.600   7.833
  220    HB3  LYS  37           1HB      LYS  37  -1.917  -6.440   8.083
  221    HG2  LYS  37           2HG      LYS  37  -2.179  -5.568  10.161
  222    HG3  LYS  37           1HG      LYS  37  -3.521  -4.539   9.656
  223    HD2  LYS  37           2HD      LYS  37  -4.964  -5.968  10.619
  224    HD3  LYS  37           1HD      LYS  37  -4.424  -7.235   9.516
  225    HE2  LYS  37           2HE      LYS  37  -2.794  -8.025  11.029
  226    HE3  LYS  37           1HE      LYS  37  -2.837  -6.543  11.984
  227    HZ1  LYS  37           3HZ      LYS  37  -5.406  -7.466  12.036
  228    HZ2  LYS  37           1HZ      LYS  37  -4.269  -7.603  13.288
  229    HZ3  LYS  37           2HZ      LYS  37  -4.471  -8.878  12.181
  230    H    PHE  38           H        PHE  38  -0.341  -4.469   7.659
  231    HA   PHE  38           HA       PHE  38   0.399  -4.196   4.849
  232    HB2  PHE  38           2HB      PHE  38   2.052  -4.530   7.367
  233    HB3  PHE  38           1HB      PHE  38   2.745  -4.278   5.765
  234    HD1  PHE  38           2HD      PHE  38   0.615  -2.374   4.692
  235    HD2  PHE  38           1HD      PHE  38   2.732  -2.504   8.429
  236    HE1  PHE  38           2HE      PHE  38   0.307   0.071   4.954
  237    HE2  PHE  38           1HE      PHE  38   2.426  -0.057   8.686
  238    HZ   PHE  38           HZ       PHE  38   1.213   1.231   6.949
  239    H    SER  39           H        SER  39   0.800  -5.860   3.480
  240    HA   SER  39           HA       SER  39   0.569  -8.602   4.291
  241    HB2  SER  39           2HB      SER  39   1.977  -7.649   1.788
  242    HB3  SER  39           1HB      SER  39   1.087  -9.150   2.029
  243    HG   SER  39           HG       SER  39   0.194  -6.643   1.387
  244    H    ARG  40           H        ARG  40   2.964  -9.486   2.665
  245    HA   ARG  40           HA       ARG  40   4.983  -9.093   4.834
  246    HB2  ARG  40           2HB      ARG  40   5.988 -11.231   3.929
  247    HB3  ARG  40           1HB      ARG  40   4.383 -11.421   4.636
  248    HG2  ARG  40           2HG      ARG  40   3.385 -11.273   2.368
  249    HG3  ARG  40           1HG      ARG  40   5.005 -11.145   1.680
  250    HD2  ARG  40           2HD      ARG  40   5.253 -13.380   1.746
  251    HD3  ARG  40           1HD      ARG  40   4.902 -13.396   3.473
  252    HE   ARG  40           HE       ARG  40   2.726 -14.129   2.951
  253   HH11  ARG  40          1HH1      ARG  40   3.615 -15.319   0.413
  254   HH12  ARG  40          2HH1      ARG  40   2.615 -14.532  -0.762
  255   HH21  ARG  40          1HH2      ARG  40   1.689 -11.952   1.361
  256   HH22  ARG  40          2HH2      ARG  40   1.525 -12.626  -0.225
  257    H    ALA  41           H        ALA  41   7.285  -9.048   4.064
  258    HA   ALA  41           HA       ALA  41   7.575  -7.156   1.894
  259    HB1  ALA  41           1HB      ALA  41   9.763  -6.962   2.588
  260    HB2  ALA  41           2HB      ALA  41   9.940  -8.696   2.855
  261    HB3  ALA  41           3HB      ALA  41   9.095  -7.703   4.042
  262    H    GLY  42           H        GLY  42   9.178  -7.615   0.069
  263    HA2  GLY  42           2HA      GLY  42   9.823  -8.915  -1.784
  264    HA3  GLY  42           1HA      GLY  42   9.498 -10.352  -0.817
  265    H    LYS  43           H        LYS  43   7.050  -7.872  -1.210
  266    HA   LYS  43           HA       LYS  43   5.409  -9.886  -2.672
  267    HB2  LYS  43           2HB      LYS  43   4.250  -9.025  -0.775
  268    HB3  LYS  43           1HB      LYS  43   4.686  -7.363  -1.173
  269    HG2  LYS  43           2HG      LYS  43   2.301  -8.068  -1.784
  270    HG3  LYS  43           1HG      LYS  43   3.243  -7.328  -3.070
  271    HD2  LYS  43           2HD      LYS  43   3.286  -9.236  -4.298
  272    HD3  LYS  43           1HD      LYS  43   3.560 -10.250  -2.881
  273    HE2  LYS  43           2HE      LYS  43   0.902  -9.046  -3.707
  274    HE3  LYS  43           1HE      LYS  43   1.363 -10.739  -3.881
  275    HZ1  LYS  43           3HZ      LYS  43   0.718  -9.225  -1.458
  276    HZ2  LYS  43           1HZ      LYS  43   1.850 -10.482  -1.337
  277    HZ3  LYS  43           2HZ      LYS  43   0.277 -10.807  -1.896
  278    H    ILE  44           H        ILE  44   5.420  -9.732  -4.830
  279    HA   ILE  44           HA       ILE  44   6.392  -7.521  -6.327
  280    HB   ILE  44           HB       ILE  44   6.244  -9.778  -7.261
  281   HG12  ILE  44          2HG1      ILE  44   5.219  -9.198  -9.438
  282   HG13  ILE  44          1HG1      ILE  44   4.442  -7.799  -8.693
  283   HG21  ILE  44          1HG2      ILE  44   4.384 -11.009  -6.974
  284   HG22  ILE  44          2HG2      ILE  44   3.454  -9.852  -7.927
  285   HG23  ILE  44          3HG2      ILE  44   3.613  -9.633  -6.185
  286   HD11  ILE  44          3HD1      ILE  44   6.391  -6.603  -8.579
  287   HD12  ILE  44          1HD1      ILE  44   6.837  -7.646  -9.929
  288   HD13  ILE  44          2HD1      ILE  44   7.377  -8.038  -8.296
  289    H    CYS  45           H        CYS  45   5.196  -5.716  -5.257
  290    HA   CYS  45           HA       CYS  45   2.331  -5.459  -5.498
  291    HB2  CYS  45           2HB      CYS  45   2.859  -2.971  -5.222
  292    HB3  CYS  45           1HB      CYS  45   3.368  -4.028  -3.911
  293    H    ARG  46           H        ARG  46   4.889  -5.210  -7.744
  294    HA   ARG  46           HA       ARG  46   3.009  -4.516  -9.878
  295    HB2  ARG  46           2HB      ARG  46   4.927  -2.534  -8.766
  296    HB3  ARG  46           1HB      ARG  46   4.824  -2.625 -10.524
  297    HG2  ARG  46           2HG      ARG  46   2.220  -2.610 -10.057
  298    HG3  ARG  46           1HG      ARG  46   2.712  -1.852  -8.543
  299    HD2  ARG  46           2HD      ARG  46   4.238  -0.534 -10.465
  300    HD3  ARG  46           1HD      ARG  46   2.667  -0.734 -11.241
  301    HE   ARG  46           HE       ARG  46   3.241   1.041  -9.032
  302   HH11  ARG  46          1HH2      ARG  46   0.879  -0.822 -10.705
  303   HH12  ARG  46          2HH2      ARG  46  -0.467  -0.094  -9.893
  304   HH21  ARG  46          1HH1      ARG  46   1.502   1.895  -7.847
  305   HH22  ARG  46          2HH1      ARG  46  -0.114   1.444  -8.276
  306    H    ILE  47           H        ILE  47   3.621  -5.701 -11.619
  307    HA   ILE  47           HA       ILE  47   6.357  -6.833 -11.663
  308    HB   ILE  47           HB       ILE  47   4.382  -8.313 -12.038
  309   HG12  ILE  47          2HG1      ILE  47   5.307  -8.959 -14.519
  310   HG13  ILE  47          1HG1      ILE  47   6.631  -7.950 -13.934
  311   HG21  ILE  47          1HG2      ILE  47   3.951  -7.430 -14.791
  312   HG22  ILE  47          2HG2      ILE  47   3.498  -6.198 -13.614
  313   HG23  ILE  47          3HG2      ILE  47   2.768  -7.802 -13.537
  314   HD11  ILE  47          3HD1      ILE  47   5.461 -10.344 -12.484
  315   HD12  ILE  47          1HD1      ILE  47   6.772  -9.327 -11.886
  316   HD13  ILE  47          2HD1      ILE  47   7.007 -10.309 -13.331
  317    H    ALA  48           H        ALA  48   7.724  -5.244 -12.455
  318    HA   ALA  48           HA       ALA  48   7.025  -3.385 -14.525
  319    HB1  ALA  48           1HB      ALA  48   9.342  -2.776 -14.536
  320    HB2  ALA  48           2HB      ALA  48   9.822  -4.340 -13.877
  321    HB3  ALA  48           3HB      ALA  48   8.950  -3.188 -12.866
  322    H    ARG  49           H        ARG  49   7.746  -3.383 -16.750
  323    HA   ARG  49           HA       ARG  49   8.535  -6.058 -17.814
  324    HB2  ARG  49           2HB      ARG  49   6.443  -4.258 -19.070
  325    HB3  ARG  49           1HB      ARG  49   6.918  -5.868 -19.611
  326    HG2  ARG  49           2HG      ARG  49   5.426  -6.799 -18.212
  327    HG3  ARG  49           1HG      ARG  49   6.210  -6.018 -16.839
  328    HD2  ARG  49           2HD      ARG  49   4.425  -4.360 -18.574
  329    HD3  ARG  49           1HD      ARG  49   3.677  -5.486 -17.442
  330    HE   ARG  49           HE       ARG  49   5.619  -4.063 -15.980
  331   HH11  ARG  49          1HH1      ARG  49   3.513  -2.723 -18.232
  332   HH12  ARG  49          2HH1      ARG  49   2.712  -1.670 -17.116
  333   HH21  ARG  49          1HH2      ARG  49   4.260  -3.024 -14.322
  334   HH22  ARG  49          2HH2      ARG  49   3.135  -1.839 -14.900
  335    H    GLY  50           H        GLY  50  10.330  -5.848 -19.052
  336    HA2  GLY  50           2HA      GLY  50  10.971  -4.427 -21.203
  337    HA3  GLY  50           1HA      GLY  50  11.085  -3.140 -20.006
  338    H    ASP  51           H        ASP  51  12.866  -3.092 -18.642
  339    HA   ASP  51           HA       ASP  51  14.705  -5.383 -18.515
  340    HB2  ASP  51           2HB      ASP  51  15.089  -3.457 -20.518
  341    HB3  ASP  51           1HB      ASP  51  16.238  -3.024 -19.251
  342    H    TRP  52           H        TRP  52  13.207  -4.111 -16.504
  343    HA   TRP  52           HA       TRP  52  15.400  -2.875 -14.898
  344    HB2  TRP  52           2HB      TRP  52  13.220  -1.693 -13.801
  345    HB3  TRP  52           1HB      TRP  52  14.171  -0.950 -15.086
  346    HD1  TRP  52           HD       TRP  52  11.366  -3.630 -15.063
  347    HE1  TRP  52           1HE      TRP  52   9.652  -3.004 -16.883
  348    HE3  TRP  52           3HE      TRP  52  13.472   0.681 -16.812
  349    HZ2  TRP  52           2HZ      TRP  52   9.230  -0.948 -18.827
  350    HZ3  TRP  52           3HZ      TRP  52  12.393   1.953 -18.646
  351    HH2  TRP  52           HH       TRP  52  10.277   1.144 -19.655
  352    H    ASN  53           H        ASN  53  14.315  -2.759 -12.451
  353    HA   ASN  53           HA       ASN  53  13.854  -5.604 -11.819
  354    HB2  ASN  53           2HB      ASN  53  14.356  -3.145 -10.128
  355    HB3  ASN  53           1HB      ASN  53  13.959  -4.713  -9.424
  356   HD21  ASN  53          1HD2      ASN  53  16.235  -3.397 -11.913
  357   HD22  ASN  53          2HD2      ASN  53  17.542  -4.367 -11.434
  358    H    ASP  54           H        ASP  54  12.093  -6.126 -10.197
  359    HA   ASP  54           HA       ASP  54   9.588  -4.838 -11.082
  360    HB2  ASP  54           2HB      ASP  54   9.560  -6.989  -9.021
  361    HB3  ASP  54           1HB      ASP  54   8.520  -6.766 -10.426
  362    H    ASP  55           H        ASP  55   8.026  -5.225  -8.770
  363    HA   ASP  55           HA       ASP  55   9.302  -3.327  -6.840
  364    HB2  ASP  55           2HB      ASP  55   6.340  -3.438  -7.429
  365    HB3  ASP  55           1HB      ASP  55   7.239  -2.167  -6.599
  366    H    ARG  56           H        ARG  56   9.609  -4.370  -4.935
  367    HA   ARG  56           HA       ARG  56   7.620  -6.462  -4.145
  368    HB2  ARG  56           2HB      ARG  56  10.482  -6.226  -3.195
  369    HB3  ARG  56           1HB      ARG  56   9.382  -7.583  -2.963
  370    HG2  ARG  56           2HG      ARG  56   9.841  -6.745  -5.773
  371    HG3  ARG  56           1HG      ARG  56  11.206  -7.505  -4.954
  372    HD2  ARG  56           2HD      ARG  56   9.724  -9.395  -4.301
  373    HD3  ARG  56           1HD      ARG  56   8.411  -8.651  -5.215
  374    HE   ARG  56           HE       ARG  56   9.520  -9.269  -7.240
  375   HH11  ARG  56          1HH1      ARG  56  10.538 -11.143  -4.735
  376   HH12  ARG  56          2HH1      ARG  56  12.082 -11.557  -5.397
  377   HH21  ARG  56          1HH2      ARG  56  11.891  -9.249  -7.978
  378   HH22  ARG  56          2HH2      ARG  56  12.849 -10.486  -7.236
  379    H    CYS  57           H        CYS  57   6.378  -5.906  -2.416
  380    HA   CYS  57           HA       CYS  57   6.747  -3.481  -0.946
  381    HB2  CYS  57           2HB      CYS  57   5.287  -5.912   0.104
  382    HB3  CYS  57           1HB      CYS  57   4.962  -4.217   0.456
  383    H    THR  58           H        THR  58   7.416  -3.232   1.279
  384    HA   THR  58           HA       THR  58   9.604  -5.077   2.003
  385    HB   THR  58           HB       THR  58  10.457  -3.353   3.305
  386    HG1  THR  58           1HG      THR  58   7.916  -2.135   3.465
  387   HG21  THR  58          3HG2      THR  58   9.527  -2.652   0.797
  388   HG22  THR  58          1HG2      THR  58  10.637  -1.697   1.778
  389   HG23  THR  58          2HG2      THR  58   8.908  -1.357   1.822
  390    H    GLY  59           H        GLY  59   6.535  -5.514   2.343
  391    HA2  GLY  59           2HA      GLY  59   5.274  -6.775   3.880
  392    HA3  GLY  59           1HA      GLY  59   6.748  -6.984   4.828
  393    H    GLN  60           H        GLN  60   6.101  -3.734   4.093
  394    HA   GLN  60           HA       GLN  60   4.525  -3.302   6.570
  395    HB2  GLN  60           2HB      GLN  60   7.347  -2.437   6.085
  396    HB3  GLN  60           1HB      GLN  60   6.276  -1.327   6.940
  397    HG2  GLN  60           2HG      GLN  60   6.400  -4.217   7.760
  398    HG3  GLN  60           1HG      GLN  60   7.636  -3.089   8.318
  399   HE21  GLN  60          1HE2      GLN  60   6.822  -1.119   9.525
  400   HE22  GLN  60          2HE2      GLN  60   5.370  -1.238  10.395
  401    H    SER  61           H        SER  61   5.961  -1.957   3.610
  402    HA   SER  61           HA       SER  61   4.202   0.406   3.756
  403    HB2  SER  61           2HB      SER  61   6.260   0.978   2.803
  404    HB3  SER  61           1HB      SER  61   6.374  -0.532   1.903
  405    HG   SER  61           HG       SER  61   4.881   0.215   0.472
  406    H    ALA  62           H        ALA  62   2.144   0.322   3.009
  407    HA   ALA  62           HA       ALA  62   1.303  -1.929   1.301
  408    HB1  ALA  62           1HB      ALA  62   0.014  -0.050   3.117
  409    HB2  ALA  62           2HB      ALA  62  -0.549  -1.623   2.557
  410    HB3  ALA  62           3HB      ALA  62  -0.859  -0.182   1.591
  411    H    ASP  63           H        ASP  63   1.943   1.508   1.043
  412    HA   ASP  63           HA       ASP  63   0.728   1.694  -1.628
  413    HB2  ASP  63           2HB      ASP  63   2.376   3.627   0.027
  414    HB3  ASP  63           1HB      ASP  63   1.750   4.006  -1.578
  415    H    CYS  64           H        CYS  64   1.919   0.236  -2.922
  416    HA   CYS  64           HA       CYS  64   4.751  -0.015  -2.923
  417    HB2  CYS  64           2HB      CYS  64   3.227  -1.623  -4.032
  418    HB3  CYS  64           1HB      CYS  64   2.852  -0.413  -5.254
  419    HA   PRO  65           HA       PRO  65   5.806   3.856  -4.709
  420    HB2  PRO  65           2HB      PRO  65   8.496   3.355  -4.700
  421    HB3  PRO  65           1HB      PRO  65   7.602   3.866  -3.269
  422    HG2  PRO  65           2HG      PRO  65   8.723   1.200  -3.953
  423    HG3  PRO  65           1HG      PRO  65   8.336   1.880  -2.364
  424    HD2  PRO  65           2HD      PRO  65   6.778   0.005  -3.811
  425    HD3  PRO  65           1HD      PRO  65   6.280   0.896  -2.358
  426    H    ARG  66           H        ARG  66   7.544   4.447  -6.551
  427    HA   ARG  66           HA       ARG  66   6.927   2.642  -8.830
  428    HB2  ARG  66           2HB      ARG  66   6.799   5.383  -8.588
  429    HB3  ARG  66           1HB      ARG  66   8.356   5.156  -9.385
  430    HG2  ARG  66           2HG      ARG  66   7.390   4.074 -11.237
  431    HG3  ARG  66           1HG      ARG  66   5.908   3.695 -10.359
  432    HD2  ARG  66           2HD      ARG  66   5.040   5.820 -10.629
  433    HD3  ARG  66           1HD      ARG  66   6.633   6.576 -10.697
  434    HE   ARG  66           HE       ARG  66   6.813   5.572 -13.027
  435   HH11  ARG  66          1HH1      ARG  66   4.320   7.472 -12.071
  436   HH12  ARG  66          2HH1      ARG  66   3.185   6.958 -13.272
  437   HH21  ARG  66          1HH2      ARG  66   5.114   4.283 -14.335
  438   HH22  ARG  66          2HH2      ARG  66   3.634   5.155 -14.554
  439    H    TYR  67           H        TYR  67   8.721   2.328 -10.450
  440    HA   TYR  67           HA       TYR  67  11.472   2.699  -9.610
  441    HB2  TYR  67           2HB      TYR  67  10.067   0.179  -8.964
  442    HB3  TYR  67           1HB      TYR  67  11.616  -0.026  -9.784
  443    HD1  TYR  67           2HD      TYR  67  13.199   2.230  -8.829
  444    HD2  TYR  67           1HD      TYR  67  10.439  -0.273  -6.691
  445    HE1  TYR  67           2HE      TYR  67  14.390   2.725  -6.712
  446    HE2  TYR  67           1HE      TYR  67  11.631   0.221  -4.574
  447    HH   TYR  67           HH       TYR  67  14.597   1.325  -4.350
  448    H    HIS  68           H        HIS  68   9.811   3.205 -11.953
  449    HA   HIS  68           HA       HIS  68  10.052   3.086 -14.285
  450    HB2  HIS  68           2HB      HIS  68  12.481   1.348 -13.935
  451    HB3  HIS  68           1HB      HIS  68  12.173   2.596 -15.142
  452    HD1  HIS  68           1HD      HIS  68  14.770   2.761 -13.535
  453    HD2  HIS  68           2HD      HIS  68  11.238   4.623 -12.339
  454    HE1  HIS  68           1HE      HIS  68  15.443   4.643 -11.980
  Start of MODEL   16
    1    H    GLY   1           1HT      GLY   1   5.667  13.710  10.394
    2    HA2  GLY   1           1HA      GLY   1   3.852  11.603  10.575
    3    HA3  GLY   1           2HA      GLY   1   3.653  13.258  11.148
    4    H    LYS   2           H        LYS   2   3.153  11.115   8.378
    5    HA   LYS   2           HA       LYS   2   1.917  13.019   6.645
    6    HB2  LYS   2           2HB      LYS   2   1.625  10.020   6.923
    7    HB3  LYS   2           1HB      LYS   2   0.767  10.938   5.685
    8    HG2  LYS   2           2HG      LYS   2   3.750  11.214   6.033
    9    HG3  LYS   2           1HG      LYS   2   3.064   9.917   5.054
   10    HD2  LYS   2           2HD      LYS   2   1.712  11.779   3.876
   11    HD3  LYS   2           1HD      LYS   2   2.855  12.896   4.624
   12    HE2  LYS   2           2HE      LYS   2   4.342  12.447   3.000
   13    HE3  LYS   2           1HE      LYS   2   4.363  10.757   3.500
   14    HZ1  LYS   2           3HZ      LYS   2   3.702  11.150   1.143
   15    HZ2  LYS   2           1HZ      LYS   2   2.293  11.904   1.713
   16    HZ3  LYS   2           2HZ      LYS   2   2.574  10.263   2.054
   17    H    GLU   3           H        GLU   3  -0.592  12.466   6.047
   18    HA   GLU   3           HA       GLU   3  -2.183  12.245   8.542
   19    HB2  GLU   3           2HB      GLU   3  -3.510  14.310   7.543
   20    HB3  GLU   3           1HB      GLU   3  -2.091  14.569   8.559
   21    HG2  GLU   3           2HG      GLU   3  -1.472  14.179   5.705
   22    HG3  GLU   3           1HG      GLU   3  -2.414  15.629   6.047
   23    H    CYS   4           H        CYS   4  -1.691  10.957   5.712
   24    HA   CYS   4           HA       CYS   4  -4.589  10.469   5.251
   25    HB2  CYS   4           2HB      CYS   4  -2.718  11.750   3.409
   26    HB3  CYS   4           1HB      CYS   4  -3.458  10.312   2.709
   27    H    ASP   5           H        ASP   5  -4.513   8.369   6.057
   28    HA   ASP   5           HA       ASP   5  -2.377   6.540   5.171
   29    HB2  ASP   5           2HB      ASP   5  -3.648   6.659   7.512
   30    HB3  ASP   5           1HB      ASP   5  -4.778   5.589   6.683
   31    H    CYS   6           H        CYS   6  -5.087   7.704   3.752
   32    HA   CYS   6           HA       CYS   6  -5.345   5.289   2.054
   33    HB2  CYS   6           2HB      CYS   6  -7.874   5.617   2.104
   34    HB3  CYS   6           1HB      CYS   6  -7.167   4.950   3.576
   35    H    SER   7           H        SER   7  -6.183   5.811  -0.072
   36    HA   SER   7           HA       SER   7  -5.858   8.700  -0.721
   37    HB2  SER   7           2HB      SER   7  -4.808   8.008  -2.598
   38    HB3  SER   7           1HB      SER   7  -4.841   6.385  -1.918
   39    HG   SER   7           HG       SER   7  -5.831   6.729  -4.071
   40    H    SER   8           H        SER   8  -8.189   6.121  -0.636
   41    HA   SER   8           HA       SER   8 -10.111   7.748  -2.219
   42    HB2  SER   8           2HB      SER   8 -10.075   4.863  -1.334
   43    HB3  SER   8           1HB      SER   8 -11.546   5.622  -1.937
   44    HG   SER   8           HG       SER   8 -10.680   5.783  -3.890
   45    HA   PRO   9           HA       PRO   9 -11.974   8.975   1.610
   46    HB2  PRO   9           2HB      PRO   9 -14.149  10.232   0.496
   47    HB3  PRO   9           1HB      PRO   9 -12.527  10.943   0.543
   48    HG2  PRO   9           2HG      PRO   9 -13.988   9.757  -1.769
   49    HG3  PRO   9           1HG      PRO   9 -12.710  10.983  -1.759
   50    HD2  PRO   9           2HD      PRO   9 -12.380   8.236  -2.381
   51    HD3  PRO   9           1HD      PRO   9 -11.078   9.405  -2.070
   52    H    GLU  10           H        GLU  10 -13.223   6.699  -0.586
   53    HA   GLU  10           HA       GLU  10 -15.659   6.218   1.059
   54    HB2  GLU  10           2HB      GLU  10 -14.984   5.871  -1.738
   55    HB3  GLU  10           1HB      GLU  10 -15.562   4.355  -1.046
   56    HG2  GLU  10           2HG      GLU  10 -17.651   5.167  -1.304
   57    HG3  GLU  10           1HG      GLU  10 -17.281   6.279   0.014
   58    H    ASN  11           H        ASN  11 -12.636   5.474   1.521
   59    HA   ASN  11           HA       ASN  11 -12.734   2.555   1.619
   60    HB2  ASN  11           2HB      ASN  11 -10.641   4.020   1.308
   61    HB3  ASN  11           1HB      ASN  11 -10.736   4.312   3.045
   62   HD21  ASN  11          1HD2      ASN  11  -9.968   1.911   0.596
   63   HD22  ASN  11          2HD2      ASN  11  -9.430   0.713   1.670
   64    HA   PRO  12           HA       PRO  12 -14.735   2.606   5.604
   65    HB2  PRO  12           2HB      PRO  12 -14.831  -0.127   5.881
   66    HB3  PRO  12           1HB      PRO  12 -15.961   0.794   4.874
   67    HG2  PRO  12           2HG      PRO  12 -13.684  -0.934   4.035
   68    HG3  PRO  12           1HG      PRO  12 -15.156  -0.508   3.146
   69    HD2  PRO  12           2HD      PRO  12 -12.585   0.627   2.757
   70    HD3  PRO  12           1HD      PRO  12 -14.115   1.244   2.099
   71    H    CYS  13           H        CYS  13 -11.762   0.867   4.855
   72    HA   CYS  13           HA       CYS  13 -11.070   0.243   7.595
   73    HB2  CYS  13           2HB      CYS  13 -10.196  -0.773   5.340
   74    HB3  CYS  13           1HB      CYS  13  -9.047   0.564   5.401
   75    H    CYS  14           H        CYS  14 -10.446   2.947   5.412
   76    HA   CYS  14           HA       CYS  14  -8.925   4.275   7.613
   77    HB2  CYS  14           2HB      CYS  14  -7.547   4.163   5.671
   78    HB3  CYS  14           1HB      CYS  14  -8.875   4.630   4.613
   79    H    ASP  15           H        ASP  15  -9.814   5.993   8.571
   80    HA   ASP  15           HA       ASP  15 -12.506   6.779   8.115
   81    HB2  ASP  15           2HB      ASP  15 -10.765   7.179  10.121
   82    HB3  ASP  15           1HB      ASP  15 -10.613   8.739   9.316
   83    H    ALA  16           H        ALA  16 -13.360   8.134   6.610
   84    HA   ALA  16           HA       ALA  16 -11.691   9.340   4.582
   85    HB1  ALA  16           1HB      ALA  16 -13.677   9.876   3.506
   86    HB2  ALA  16           2HB      ALA  16 -14.522  10.219   5.016
   87    HB3  ALA  16           3HB      ALA  16 -14.223   8.549   4.532
   88    H    ALA  17           H        ALA  17 -13.408  10.578   7.431
   89    HA   ALA  17           HA       ALA  17 -13.040  13.351   6.944
   90    HB1  ALA  17           1HB      ALA  17 -14.466  12.411   8.764
   91    HB2  ALA  17           2HB      ALA  17 -13.351  13.646   9.350
   92    HB3  ALA  17           3HB      ALA  17 -13.005  11.939   9.629
   93    H    THR  18           H        THR  18 -11.041  11.235   9.045
   94    HA   THR  18           HA       THR  18  -8.891  13.234   9.021
   95    HB   THR  18           HB       THR  18  -7.808  11.858  10.625
   96    HG1  THR  18           1HG      THR  18  -8.223   9.704  10.819
   97   HG21  THR  18          3HG2      THR  18 -10.796  11.459  10.939
   98   HG22  THR  18          1HG2      THR  18  -9.881  12.870  11.469
   99   HG23  THR  18          2HG2      THR  18  -9.607  11.303  12.231
  100    H    CYS  19           H        CYS  19  -9.860  10.715   6.983
  101    HA   CYS  19           HA       CYS  19  -8.796   9.695   5.152
  102    HB2  CYS  19           2HB      CYS  19  -8.192  12.046   4.631
  103    HB3  CYS  19           1HB      CYS  19  -6.749  11.886   5.631
  104    H    LYS  20           H        LYS  20  -8.158   8.909   7.972
  105    HA   LYS  20           HA       LYS  20  -5.590   7.512   7.357
  106    HB2  LYS  20           2HB      LYS  20  -6.313   9.113   9.795
  107    HB3  LYS  20           1HB      LYS  20  -5.203   7.751   9.940
  108    HG2  LYS  20           2HG      LYS  20  -4.189   9.028   7.747
  109    HG3  LYS  20           1HG      LYS  20  -4.796  10.393   8.682
  110    HD2  LYS  20           2HD      LYS  20  -2.764  10.221   9.716
  111    HD3  LYS  20           1HD      LYS  20  -3.594   8.980  10.655
  112    HE2  LYS  20           2HE      LYS  20  -2.418   8.110   8.067
  113    HE3  LYS  20           1HE      LYS  20  -1.278   8.507   9.354
  114    HZ1  LYS  20           3HZ      LYS  20  -2.256   6.125   9.171
  115    HZ2  LYS  20           1HZ      LYS  20  -3.596   6.805   9.956
  116    HZ3  LYS  20           2HZ      LYS  20  -2.068   6.848  10.698
  117    H    LEU  21           H        LEU  21  -5.302   5.596   8.930
  118    HA   LEU  21           HA       LEU  21  -7.589   3.890   8.774
  119    HB2  LEU  21           2HB      LEU  21  -4.894   3.750  10.027
  120    HB3  LEU  21           1HB      LEU  21  -6.120   2.652  10.662
  121    HG   LEU  21           HG       LEU  21  -5.652   2.931   7.694
  122   HD11  LEU  21          1HD1      LEU  21  -3.692   1.841   7.853
  123   HD12  LEU  21          2HD1      LEU  21  -4.493   0.528   8.715
  124   HD13  LEU  21          3HD1      LEU  21  -3.810   1.885   9.612
  125   HD21  LEU  21          3HD2      LEU  21  -7.585   1.712   7.923
  126   HD22  LEU  21          1HD2      LEU  21  -7.163   1.150   9.540
  127   HD23  LEU  21          2HD2      LEU  21  -6.431   0.395   8.124
  128    H    ARG  22           H        ARG  22  -9.387   3.922  10.039
  129    HA   ARG  22           HA       ARG  22  -9.398   5.559  12.459
  130    HB2  ARG  22           2HB      ARG  22 -11.346   5.587  10.967
  131    HB3  ARG  22           1HB      ARG  22 -11.602   3.869  11.246
  132    HG2  ARG  22           2HG      ARG  22 -13.083   5.200  12.685
  133    HG3  ARG  22           1HG      ARG  22 -11.913   4.309  13.659
  134    HD2  ARG  22           2HD      ARG  22 -10.753   6.208  14.259
  135    HD3  ARG  22           1HD      ARG  22 -11.149   7.050  12.760
  136    HE   ARG  22           HE       ARG  22 -13.030   7.937  13.860
  137   HH11  ARG  22          1HH1      ARG  22 -11.412   6.588  16.299
  138   HH12  ARG  22          2HH1      ARG  22 -12.772   5.995  17.194
  139   HH21  ARG  22          1HH2      ARG  22 -15.029   6.503  14.610
  140   HH22  ARG  22          2HH2      ARG  22 -14.820   5.945  16.237
  141    HA   PRO  23           HA       PRO  23 -10.029   1.290  14.497
  142    HB2  PRO  23           2HB      PRO  23  -9.549  -0.939  12.965
  143    HB3  PRO  23           1HB      PRO  23 -11.143  -0.177  13.104
  144    HG2  PRO  23           2HG      PRO  23  -9.234  -0.121  10.821
  145    HG3  PRO  23           1HG      PRO  23 -10.992   0.088  10.818
  146    HD2  PRO  23           2HD      PRO  23  -9.051   2.156  10.636
  147    HD3  PRO  23           1HD      PRO  23 -10.795   2.360  10.893
  148    H    GLY  24           H        GLY  24  -8.375  -0.977  14.497
  149    HA2  GLY  24           2HA      GLY  24  -5.708   0.283  14.787
  150    HA3  GLY  24           1HA      GLY  24  -6.178  -1.291  15.430
  151    H    ALA  25           H        ALA  25  -7.075  -0.550  12.181
  152    HA   ALA  25           HA       ALA  25  -5.643  -2.806  11.110
  153    HB1  ALA  25           1HB      ALA  25  -7.436  -2.359   9.755
  154    HB2  ALA  25           2HB      ALA  25  -6.255  -1.368   8.897
  155    HB3  ALA  25           3HB      ALA  25  -7.360  -0.623  10.051
  156    H    GLN  26           H        GLN  26  -3.705  -2.867   9.937
  157    HA   GLN  26           HA       GLN  26  -1.784  -0.763  10.484
  158    HB2  GLN  26           2HB      GLN  26  -1.438  -2.981   8.464
  159    HB3  GLN  26           1HB      GLN  26  -0.202  -2.192   9.432
  160    HG2  GLN  26           2HG      GLN  26  -2.125  -3.268  11.233
  161    HG3  GLN  26           1HG      GLN  26  -1.724  -4.530  10.069
  162   HE21  GLN  26          1HE2      GLN  26  -0.118  -2.118  12.213
  163   HE22  GLN  26          2HE2      GLN  26   1.253  -3.075  12.507
  164    H    CYS  27           H        CYS  27  -3.762  -1.700   7.740
  165    HA   CYS  27           HA       CYS  27  -3.027   0.837   6.387
  166    HB2  CYS  27           2HB      CYS  27  -2.779  -0.453   4.232
  167    HB3  CYS  27           1HB      CYS  27  -1.490  -0.736   5.404
  168    H    GLY  28           H        GLY  28  -4.775   1.697   5.266
  169    HA2  GLY  28           2HA      GLY  28  -7.285   0.120   5.450
  170    HA3  GLY  28           1HA      GLY  28  -7.205   1.872   5.267
  171    H    GLU  29           H        GLU  29  -5.202   1.821   3.166
  172    HA   GLU  29           HA       GLU  29  -6.484   0.301   0.975
  173    HB2  GLU  29           2HB      GLU  29  -7.698   2.474   1.115
  174    HB3  GLU  29           1HB      GLU  29  -6.165   3.314   0.882
  175    HG2  GLU  29           2HG      GLU  29  -5.945   1.817  -1.245
  176    HG3  GLU  29           1HG      GLU  29  -7.684   1.591  -1.062
  177    H    GLY  30           H        GLY  30  -5.044  -0.062  -0.767
  178    HA2  GLY  30           2HA      GLY  30  -2.753   1.257  -1.517
  179    HA3  GLY  30           1HA      GLY  30  -2.217   0.316  -0.125
  180    H    LEU  31           H        LEU  31  -0.860  -0.584  -2.056
  181    HA   LEU  31           HA       LEU  31  -2.363  -2.580  -3.656
  182    HB2  LEU  31           2HB      LEU  31   0.313  -1.286  -3.815
  183    HB3  LEU  31           1HB      LEU  31   0.203  -2.942  -4.411
  184    HG   LEU  31           HG       LEU  31  -1.967  -1.091  -5.240
  185   HD11  LEU  31          1HD1      LEU  31  -0.310   0.472  -5.717
  186   HD12  LEU  31          2HD1      LEU  31  -0.320  -0.473  -7.206
  187   HD13  LEU  31          3HD1      LEU  31   0.919  -0.764  -5.986
  188   HD21  LEU  31          3HD2      LEU  31  -0.551  -3.517  -6.181
  189   HD22  LEU  31          1HD2      LEU  31  -1.047  -2.396  -7.450
  190   HD23  LEU  31          2HD2      LEU  31  -2.249  -3.070  -6.349
  191    H    CYS  32           H        CYS  32  -0.007  -2.380  -1.042
  192    HA   CYS  32           HA       CYS  32   0.076  -5.359  -0.940
  193    HB2  CYS  32           2HB      CYS  32   1.801  -3.501   0.693
  194    HB3  CYS  32           1HB      CYS  32   2.120  -5.172   0.226
  195    H    CYS  33           H        CYS  33  -2.194  -3.664   0.036
  196    HA   CYS  33           HA       CYS  33  -1.959  -4.150   2.963
  197    HB2  CYS  33           2HB      CYS  33  -2.714  -1.901   2.304
  198    HB3  CYS  33           1HB      CYS  33  -4.069  -2.606   1.429
  199    H    GLU  34           H        GLU  34  -2.546  -6.202   3.443
  200    HA   GLU  34           HA       GLU  34  -4.980  -7.310   2.103
  201    HB2  GLU  34           2HB      GLU  34  -2.588  -8.712   3.335
  202    HB3  GLU  34           1HB      GLU  34  -4.026  -9.545   2.749
  203    HG2  GLU  34           2HG      GLU  34  -2.641  -7.619   0.920
  204    HG3  GLU  34           1HG      GLU  34  -1.929  -9.214   1.164
  205    H    GLN  35           H        GLN  35  -6.730  -7.503   3.425
  206    HA   GLN  35           HA       GLN  35  -8.006  -7.675   5.388
  207    HB2  GLN  35           2HB      GLN  35  -5.840  -9.451   5.701
  208    HB3  GLN  35           1HB      GLN  35  -5.932  -8.549   7.214
  209    HG2  GLN  35           2HG      GLN  35  -8.567  -9.337   6.212
  210    HG3  GLN  35           1HG      GLN  35  -7.521 -10.720   6.534
  211   HE21  GLN  35          1HE2      GLN  35  -7.720 -11.445   8.650
  212   HE22  GLN  35          2HE2      GLN  35  -8.050 -10.463   9.995
  213    H    CYS  36           H        CYS  36  -6.422  -5.274   4.734
  214    HA   CYS  36           HA       CYS  36  -5.935  -3.205   5.704
  215    HB2  CYS  36           2HB      CYS  36  -7.595  -4.497   7.865
  216    HB3  CYS  36           1HB      CYS  36  -6.861  -2.919   8.091
  217    H    LYS  37           H        LYS  37  -4.009  -5.356   5.880
  218    HA   LYS  37           HA       LYS  37  -2.539  -4.451   8.307
  219    HB2  LYS  37           2HB      LYS  37  -3.144  -7.211   7.368
  220    HB3  LYS  37           1HB      LYS  37  -1.508  -6.922   7.964
  221    HG2  LYS  37           2HG      LYS  37  -2.261  -6.992  10.081
  222    HG3  LYS  37           1HG      LYS  37  -3.336  -5.635   9.745
  223    HD2  LYS  37           2HD      LYS  37  -4.963  -7.295   8.742
  224    HD3  LYS  37           1HD      LYS  37  -3.930  -8.580   9.368
  225    HE2  LYS  37           2HE      LYS  37  -4.472  -8.138  11.568
  226    HE3  LYS  37           1HE      LYS  37  -4.760  -6.424  11.262
  227    HZ1  LYS  37           3HZ      LYS  37  -6.523  -8.677  10.466
  228    HZ2  LYS  37           1HZ      LYS  37  -6.786  -7.053  10.057
  229    HZ3  LYS  37           2HZ      LYS  37  -6.833  -7.535  11.685
  230    H    PHE  38           H        PHE  38  -0.201  -4.416   7.996
  231    HA   PHE  38           HA       PHE  38   0.537  -3.713   5.261
  232    HB2  PHE  38           2HB      PHE  38   1.950  -3.774   7.912
  233    HB3  PHE  38           1HB      PHE  38   2.889  -3.618   6.428
  234    HD1  PHE  38           1HD      PHE  38   1.543  -1.924   4.664
  235    HD2  PHE  38           2HD      PHE  38   1.549  -1.733   8.955
  236    HE1  PHE  38           1HE      PHE  38   0.988   0.491   4.558
  237    HE2  PHE  38           2HE      PHE  38   0.992   0.681   8.849
  238    HZ   PHE  38           HZ       PHE  38   0.712   1.793   6.650
  239    H    SER  39           H        SER  39   1.095  -5.245   3.776
  240    HA   SER  39           HA       SER  39   1.558  -7.986   4.421
  241    HB2  SER  39           2HB      SER  39   2.221  -6.309   1.993
  242    HB3  SER  39           1HB      SER  39   2.659  -8.013   2.083
  243    HG   SER  39           HG       SER  39   0.217  -6.825   1.717
  244    H    ARG  40           H        ARG  40   3.880  -8.931   3.530
  245    HA   ARG  40           HA       ARG  40   5.827  -7.729   5.386
  246    HB2  ARG  40           2HB      ARG  40   5.341 -10.295   4.893
  247    HB3  ARG  40           1HB      ARG  40   6.510 -10.036   3.599
  248    HG2  ARG  40           2HG      ARG  40   7.486  -8.802   6.005
  249    HG3  ARG  40           1HG      ARG  40   7.051 -10.478   6.347
  250    HD2  ARG  40           2HD      ARG  40   8.609  -9.841   3.861
  251    HD3  ARG  40           1HD      ARG  40   9.447  -9.923   5.411
  252    HE   ARG  40           HE       ARG  40   7.781 -12.212   4.452
  253   HH11  ARG  40          1HH1      ARG  40   9.190 -12.327   7.104
  254   HH12  ARG  40          2HH1      ARG  40  10.643 -13.179   6.700
  255   HH21  ARG  40          1HH2      ARG  40  10.314 -12.663   3.288
  256   HH22  ARG  40          2HH2      ARG  40  11.280 -13.368   4.541
  257    H    ALA  41           H        ALA  41   8.179  -7.603   4.497
  258    HA   ALA  41           HA       ALA  41   8.149  -5.767   2.234
  259    HB1  ALA  41           1HB      ALA  41   9.830  -6.178   4.399
  260    HB2  ALA  41           2HB      ALA  41  10.177  -5.132   3.022
  261    HB3  ALA  41           3HB      ALA  41  10.776  -6.791   3.042
  262    H    GLY  42           H        GLY  42   9.717  -6.121   0.373
  263    HA2  GLY  42           2HA      GLY  42  10.479  -7.439  -1.423
  264    HA3  GLY  42           1HA      GLY  42  10.451  -8.828  -0.335
  265    H    LYS  43           H        LYS  43   7.576  -6.928  -0.568
  266    HA   LYS  43           HA       LYS  43   6.201  -9.228  -1.839
  267    HB2  LYS  43           2HB      LYS  43   5.058  -8.397   0.078
  268    HB3  LYS  43           1HB      LYS  43   5.247  -6.728  -0.439
  269    HG2  LYS  43           2HG      LYS  43   3.064  -7.052  -1.101
  270    HG3  LYS  43           1HG      LYS  43   3.861  -7.633  -2.553
  271    HD2  LYS  43           2HD      LYS  43   3.057  -9.708  -2.237
  272    HD3  LYS  43           1HD      LYS  43   3.719  -9.756  -0.603
  273    HE2  LYS  43           2HE      LYS  43   1.744  -9.101   0.365
  274    HE3  LYS  43           1HE      LYS  43   1.288  -8.087  -1.004
  275    HZ1  LYS  43           3HZ      LYS  43   0.901 -10.170  -2.272
  276    HZ2  LYS  43           1HZ      LYS  43  -0.153  -9.961  -0.959
  277    HZ3  LYS  43           2HZ      LYS  43   1.148 -11.046  -0.838
  278    H    ILE  44           H        ILE  44   5.772  -9.225  -3.986
  279    HA   ILE  44           HA       ILE  44   6.466  -7.007  -5.673
  280    HB   ILE  44           HB       ILE  44   5.308  -9.709  -6.017
  281   HG12  ILE  44          2HG1      ILE  44   7.689  -9.112  -6.382
  282   HG13  ILE  44          1HG1      ILE  44   6.938  -9.734  -7.854
  283   HG21  ILE  44          1HG2      ILE  44   4.506  -7.395  -7.753
  284   HG22  ILE  44          2HG2      ILE  44   3.572  -8.817  -7.287
  285   HG23  ILE  44          3HG2      ILE  44   4.833  -8.954  -8.512
  286   HD11  ILE  44          3HD1      ILE  44   8.097  -7.119  -7.359
  287   HD12  ILE  44          1HD1      ILE  44   6.420  -6.977  -7.887
  288   HD13  ILE  44          2HD1      ILE  44   7.590  -7.839  -8.886
  289    H    CYS  45           H        CYS  45   5.367  -5.147  -5.732
  290    HA   CYS  45           HA       CYS  45   2.425  -5.198  -5.262
  291    HB2  CYS  45           2HB      CYS  45   3.307  -2.515  -5.560
  292    HB3  CYS  45           1HB      CYS  45   2.760  -3.298  -4.085
  293    H    ARG  46           H        ARG  46   4.708  -5.132  -7.708
  294    HA   ARG  46           HA       ARG  46   2.659  -4.553  -9.706
  295    HB2  ARG  46           2HB      ARG  46   4.140  -2.391  -8.824
  296    HB3  ARG  46           1HB      ARG  46   5.043  -2.923 -10.243
  297    HG2  ARG  46           2HG      ARG  46   3.509  -1.600 -11.321
  298    HG3  ARG  46           1HG      ARG  46   2.550  -3.078 -11.247
  299    HD2  ARG  46           2HD      ARG  46   1.008  -1.719 -10.254
  300    HD3  ARG  46           1HD      ARG  46   1.984  -2.004  -8.813
  301    HE   ARG  46           HE       ARG  46   2.853   0.274 -10.451
  302   HH11  ARG  46          1HH1      ARG  46   0.048   0.835  -9.528
  303   HH12  ARG  46          2HH1      ARG  46   0.321   1.598  -7.997
  304   HH21  ARG  46          1HH2      ARG  46   3.605   0.513  -7.743
  305   HH22  ARG  46          2HH2      ARG  46   2.335   1.416  -6.988
  306    H    ILE  47           H        ILE  47   3.912  -4.598 -11.990
  307    HA   ILE  47           HA       ILE  47   6.052  -6.675 -11.794
  308    HB   ILE  47           HB       ILE  47   3.801  -7.651 -12.386
  309   HG12  ILE  47          2HG1      ILE  47   5.565  -7.871 -14.804
  310   HG13  ILE  47          1HG1      ILE  47   6.195  -8.396 -13.241
  311   HG21  ILE  47          1HG2      ILE  47   3.628  -5.387 -13.995
  312   HG22  ILE  47          2HG2      ILE  47   2.545  -6.777 -14.052
  313   HG23  ILE  47          3HG2      ILE  47   3.926  -6.691 -15.145
  314   HD11  ILE  47          3HD1      ILE  47   3.570  -9.433 -13.420
  315   HD12  ILE  47          1HD1      ILE  47   5.083 -10.335 -13.498
  316   HD13  ILE  47          2HD1      ILE  47   4.330  -9.746 -14.980
  317    H    ALA  48           H        ALA  48   7.777  -6.317 -13.153
  318    HA   ALA  48           HA       ALA  48   7.754  -3.818 -14.716
  319    HB1  ALA  48           1HB      ALA  48   9.826  -5.717 -13.720
  320    HB2  ALA  48           2HB      ALA  48   9.823  -3.954 -13.713
  321    HB3  ALA  48           3HB      ALA  48  10.202  -4.829 -15.197
  322    H    ARG  49           H        ARG  49   6.837  -3.987 -16.715
  323    HA   ARG  49           HA       ARG  49   6.704  -6.475 -18.180
  324    HB2  ARG  49           2HB      ARG  49   6.096  -4.822 -20.114
  325    HB3  ARG  49           1HB      ARG  49   4.989  -4.976 -18.751
  326    HG2  ARG  49           2HG      ARG  49   7.091  -2.985 -18.295
  327    HG3  ARG  49           1HG      ARG  49   6.061  -2.600 -19.675
  328    HD2  ARG  49           2HD      ARG  49   4.626  -3.572 -17.279
  329    HD3  ARG  49           1HD      ARG  49   5.416  -2.006 -17.092
  330    HE   ARG  49           HE       ARG  49   3.717  -1.121 -18.447
  331   HH11  ARG  49          1HH1      ARG  49   2.365  -3.917 -18.069
  332   HH12  ARG  49          2HH1      ARG  49   1.926  -4.252 -19.710
  333   HH21  ARG  49          1HH2      ARG  49   3.957  -1.777 -21.039
  334   HH22  ARG  49          2HH2      ARG  49   2.827  -3.041 -21.391
  335    H    GLY  50           H        GLY  50   8.923  -7.150 -18.263
  336    HA2  GLY  50           2HA      GLY  50  10.448  -7.165 -20.375
  337    HA3  GLY  50           1HA      GLY  50  10.710  -5.474 -19.964
  338    H    ASP  51           H        ASP  51  11.755  -5.011 -17.925
  339    HA   ASP  51           HA       ASP  51  12.692  -6.779 -15.999
  340    HB2  ASP  51           2HB      ASP  51  13.979  -7.236 -18.546
  341    HB3  ASP  51           1HB      ASP  51  15.167  -6.710 -17.353
  342    H    TRP  52           H        TRP  52  12.300  -4.596 -15.083
  343    HA   TRP  52           HA       TRP  52  14.751  -2.903 -15.305
  344    HB2  TRP  52           2HB      TRP  52  12.340  -1.452 -14.482
  345    HB3  TRP  52           1HB      TRP  52  13.560  -1.017 -15.674
  346    HD1  TRP  52           HD       TRP  52  10.194  -2.718 -15.309
  347    HE1  TRP  52           1HE      TRP  52   9.216  -3.167 -17.652
  348    HE3  TRP  52           3HE      TRP  52  14.234  -1.530 -18.184
  349    HZ2  TRP  52           2HZ      TRP  52  10.045  -3.042 -20.388
  350    HZ3  TRP  52           3HZ      TRP  52  14.118  -1.705 -20.655
  351    HH2  TRP  52           HH       TRP  52  12.031  -2.461 -21.758
  352    H    ASN  53           H        ASN  53  11.905  -2.703 -13.210
  353    HA   ASN  53           HA       ASN  53  13.525  -3.582 -10.896
  354    HB2  ASN  53           2HB      ASN  53  13.238  -0.857 -11.487
  355    HB3  ASN  53           1HB      ASN  53  12.057  -1.167 -10.214
  356   HD21  ASN  53          1HD2      ASN  53  14.893   0.152 -10.248
  357   HD22  ASN  53          2HD2      ASN  53  15.684  -0.603  -8.950
  358    H    ASP  54           H        ASP  54  12.232  -5.055  -9.912
  359    HA   ASP  54           HA       ASP  54   9.349  -5.065 -10.327
  360    HB2  ASP  54           2HB      ASP  54  10.703  -6.685  -8.189
  361    HB3  ASP  54           1HB      ASP  54   9.361  -7.132  -9.242
  362    H    ASP  55           H        ASP  55   7.803  -4.216  -8.988
  363    HA   ASP  55           HA       ASP  55   8.624  -2.417  -6.865
  364    HB2  ASP  55           2HB      ASP  55   6.008  -3.302  -8.036
  365    HB3  ASP  55           1HB      ASP  55   6.012  -2.457  -6.487
  366    H    ARG  56           H        ARG  56   9.413  -3.331  -5.016
  367    HA   ARG  56           HA       ARG  56   7.977  -5.694  -3.880
  368    HB2  ARG  56           2HB      ARG  56  10.715  -4.571  -3.210
  369    HB3  ARG  56           1HB      ARG  56  10.007  -6.036  -2.533
  370    HG2  ARG  56           2HG      ARG  56  10.018  -5.924  -5.483
  371    HG3  ARG  56           1HG      ARG  56  11.616  -5.998  -4.742
  372    HD2  ARG  56           2HD      ARG  56  10.745  -7.936  -3.340
  373    HD3  ARG  56           1HD      ARG  56   9.327  -7.945  -4.389
  374    HE   ARG  56           HE       ARG  56  10.676  -9.180  -5.864
  375   HH11  ARG  56          1HH2      ARG  56  12.822  -8.063  -3.589
  376   HH12  ARG  56          2HH2      ARG  56  14.163  -7.866  -4.667
  377   HH21  ARG  56          1HH1      ARG  56  12.279  -8.390  -7.532
  378   HH22  ARG  56          2HH1      ARG  56  13.857  -8.052  -6.899
  379    H    CYS  57           H        CYS  57   6.558  -5.197  -2.292
  380    HA   CYS  57           HA       CYS  57   6.309  -2.619  -1.113
  381    HB2  CYS  57           2HB      CYS  57   5.452  -5.116   0.338
  382    HB3  CYS  57           1HB      CYS  57   4.660  -3.548   0.288
  383    H    THR  58           H        THR  58   7.095  -1.786   0.839
  384    HA   THR  58           HA       THR  58   9.614  -2.873   1.774
  385    HB   THR  58           HB       THR  58   9.441  -1.000   3.462
  386    HG1  THR  58           1HG      THR  58   7.659   0.170   3.539
  387   HG21  THR  58          3HG2      THR  58  10.108  -0.914   0.845
  388   HG22  THR  58          1HG2      THR  58  10.175   0.499   1.896
  389   HG23  THR  58          2HG2      THR  58   8.778   0.244   0.850
  390    H    GLY  59           H        GLY  59   6.413  -3.634   2.481
  391    HA2  GLY  59           2HA      GLY  59   5.786  -5.394   3.995
  392    HA3  GLY  59           1HA      GLY  59   7.285  -5.126   4.886
  393    H    GLN  60           H        GLN  60   6.612  -2.114   4.683
  394    HA   GLN  60           HA       GLN  60   4.576  -2.099   6.876
  395    HB2  GLN  60           2HB      GLN  60   5.774  -0.214   7.871
  396    HB3  GLN  60           1HB      GLN  60   6.884  -1.570   7.667
  397    HG2  GLN  60           2HG      GLN  60   8.105  -0.505   6.054
  398    HG3  GLN  60           1HG      GLN  60   6.691   0.296   5.369
  399   HE21  GLN  60          1HE2      GLN  60   8.690   2.041   5.583
  400   HE22  GLN  60          2HE2      GLN  60   8.571   3.024   6.961
  401    H    SER  61           H        SER  61   5.348  -1.058   3.751
  402    HA   SER  61           HA       SER  61   3.580   1.332   3.966
  403    HB2  SER  61           2HB      SER  61   5.630   1.829   2.824
  404    HB3  SER  61           1HB      SER  61   5.499   0.384   1.825
  405    HG   SER  61           HG       SER  61   4.530   2.822   1.370
  406    H    ALA  62           H        ALA  62   1.669   1.467   2.742
  407    HA   ALA  62           HA       ALA  62   0.725  -1.134   1.629
  408    HB1  ALA  62           1HB      ALA  62  -0.477   0.634   3.417
  409    HB2  ALA  62           2HB      ALA  62  -1.289  -0.669   2.548
  410    HB3  ALA  62           3HB      ALA  62  -1.288   0.966   1.887
  411    H    ASP  63           H        ASP  63   1.248   2.260   0.865
  412    HA   ASP  63           HA       ASP  63   0.084   1.891  -1.836
  413    HB2  ASP  63           2HB      ASP  63   1.453   4.385  -0.827
  414    HB3  ASP  63           1HB      ASP  63   0.205   4.241  -2.066
  415    H    CYS  64           H        CYS  64   1.704   0.369  -2.594
  416    HA   CYS  64           HA       CYS  64   4.515   0.910  -2.567
  417    HB2  CYS  64           2HB      CYS  64   2.788  -1.103  -3.617
  418    HB3  CYS  64           1HB      CYS  64   3.838  -0.550  -4.922
  419    HA   PRO  65           HA       PRO  65   4.965   3.948  -5.605
  420    HB2  PRO  65           2HB      PRO  65   7.587   3.446  -6.189
  421    HB3  PRO  65           1HB      PRO  65   7.066   4.260  -4.716
  422    HG2  PRO  65           2HG      PRO  65   8.119   1.507  -5.089
  423    HG3  PRO  65           1HG      PRO  65   8.109   2.516  -3.632
  424    HD2  PRO  65           2HD      PRO  65   6.336   0.375  -4.220
  425    HD3  PRO  65           1HD      PRO  65   6.188   1.539  -2.889
  426    H    ARG  66           H        ARG  66   6.176   4.087  -7.915
  427    HA   ARG  66           HA       ARG  66   5.901   1.566  -9.444
  428    HB2  ARG  66           2HB      ARG  66   4.496   2.814 -11.164
  429    HB3  ARG  66           1HB      ARG  66   3.670   2.424  -9.655
  430    HG2  ARG  66           2HG      ARG  66   3.194   4.612  -9.429
  431    HG3  ARG  66           1HG      ARG  66   4.918   4.904  -9.202
  432    HD2  ARG  66           2HD      ARG  66   4.607   6.243 -11.042
  433    HD3  ARG  66           1HD      ARG  66   4.875   4.718 -11.887
  434    HE   ARG  66           HE       ARG  66   2.274   4.537 -11.778
  435   HH11  ARG  66          1HH2      ARG  66   3.746   6.441 -13.801
  436   HH12  ARG  66          2HH2      ARG  66   2.660   7.790 -13.761
  437   HH21  ARG  66          1HH1      ARG  66   1.007   6.718 -10.908
  438   HH22  ARG  66          2HH1      ARG  66   1.110   7.947 -12.125
  439    H    TYR  67           H        TYR  67   7.517   1.471 -10.951
  440    HA   TYR  67           HA       TYR  67   8.536   3.940 -12.187
  441    HB2  TYR  67           2HB      TYR  67  10.945   2.932 -11.506
  442    HB3  TYR  67           1HB      TYR  67  10.111   4.139 -10.529
  443    HD1  TYR  67           2HD      TYR  67   9.713   0.432 -11.010
  444    HD2  TYR  67           1HD      TYR  67  10.298   3.677  -8.255
  445    HE1  TYR  67           2HE      TYR  67   9.621  -1.162  -9.112
  446    HE2  TYR  67           1HE      TYR  67  10.208   2.081  -6.358
  447    HH   TYR  67           HH       TYR  67  10.264  -0.110  -5.796
  448    H    HIS  68           H        HIS  68   7.553   2.661 -13.983
  449    HA   HIS  68           HA       HIS  68   7.894   1.406 -15.940
  450    HB2  HIS  68           2HB      HIS  68  10.665   0.811 -14.882
  451    HB3  HIS  68           1HB      HIS  68  10.127   0.825 -16.563
  452    HD1  HIS  68           1HD      HIS  68  12.161   2.792 -14.589
  453    HD2  HIS  68           2HD      HIS  68   8.796   3.733 -16.863
  454    HE1  HIS  68           1HE      HIS  68  12.278   5.281 -15.047
  Start of MODEL   17
    1    H    GLY   1           1HT      GLY   1   2.989  16.783   4.783
    2    HA2  GLY   1           1HA      GLY   1   3.269  15.047   6.453
    3    HA3  GLY   1           2HA      GLY   1   3.065  16.269   7.708
    4    H    LYS   2           H        LYS   2   1.410  15.006   4.796
    5    HA   LYS   2           HA       LYS   2  -1.152  16.100   5.410
    6    HB2  LYS   2           2HB      LYS   2  -0.048  14.443   3.406
    7    HB3  LYS   2           1HB      LYS   2  -1.382  13.528   4.109
    8    HG2  LYS   2           2HG      LYS   2  -2.619  14.760   2.628
    9    HG3  LYS   2           1HG      LYS   2  -2.556  15.955   3.923
   10    HD2  LYS   2           2HD      LYS   2  -1.329  17.362   2.662
   11    HD3  LYS   2           1HD      LYS   2  -0.169  16.090   2.278
   12    HE2  LYS   2           2HE      LYS   2  -2.403  15.374   0.797
   13    HE3  LYS   2           1HE      LYS   2  -2.384  17.133   0.671
   14    HZ1  LYS   2           3HZ      LYS   2  -0.065  15.360   0.125
   15    HZ2  LYS   2           1HZ      LYS   2  -0.103  17.045  -0.058
   16    HZ3  LYS   2           2HZ      LYS   2  -1.057  16.061  -1.062
   17    H    GLU   3           H        GLU   3  -3.043  14.939   6.260
   18    HA   GLU   3           HA       GLU   3  -2.282  12.783   8.193
   19    HB2  GLU   3           2HB      GLU   3  -3.662  15.334   8.594
   20    HB3  GLU   3           1HB      GLU   3  -4.581  13.960   9.210
   21    HG2  GLU   3           2HG      GLU   3  -2.865  13.314  10.686
   22    HG3  GLU   3           1HG      GLU   3  -1.641  14.231   9.808
   23    H    CYS   4           H        CYS   4  -3.101  12.137   5.605
   24    HA   CYS   4           HA       CYS   4  -5.780  10.971   6.181
   25    HB2  CYS   4           2HB      CYS   4  -5.990  12.886   4.581
   26    HB3  CYS   4           1HB      CYS   4  -4.917  12.027   3.475
   27    H    ASP   5           H        ASP   5  -5.957   8.809   5.626
   28    HA   ASP   5           HA       ASP   5  -3.561   7.579   4.321
   29    HB2  ASP   5           2HB      ASP   5  -3.734   6.854   6.631
   30    HB3  ASP   5           1HB      ASP   5  -5.442   6.465   6.425
   31    H    CYS   6           H        CYS   6  -6.864   8.230   3.983
   32    HA   CYS   6           HA       CYS   6  -7.007   6.331   1.703
   33    HB2  CYS   6           2HB      CYS   6  -8.971   6.495   3.996
   34    HB3  CYS   6           1HB      CYS   6  -9.420   5.835   2.423
   35    H    SER   7           H        SER   7  -8.105   7.210  -0.045
   36    HA   SER   7           HA       SER   7  -8.958  10.030   0.246
   37    HB2  SER   7           2HB      SER   7  -7.468   9.447  -1.628
   38    HB3  SER   7           1HB      SER   7  -8.652   8.284  -2.218
   39    HG   SER   7           HG       SER   7  -8.517  10.894  -2.686
   40    H    SER   8           H        SER   8 -10.620   7.895   1.378
   41    HA   SER   8           HA       SER   8 -13.090   8.448  -0.191
   42    HB2  SER   8           2HB      SER   8 -11.953   6.016  -0.332
   43    HB3  SER   8           1HB      SER   8 -12.875   5.800   1.153
   44    HG   SER   8           HG       SER   8 -13.773   5.630  -1.279
   45    HA   PRO   9           HA       PRO   9 -14.297   9.568   3.953
   46    HB2  PRO   9           2HB      PRO   9 -16.800  10.472   3.259
   47    HB3  PRO   9           1HB      PRO   9 -15.320  11.420   3.029
   48    HG2  PRO   9           2HG      PRO   9 -16.971   9.998   0.996
   49    HG3  PRO   9           1HG      PRO   9 -15.909  11.401   0.796
   50    HD2  PRO   9           2HD      PRO   9 -15.288   8.729   0.084
   51    HD3  PRO   9           1HD      PRO   9 -14.138  10.081   0.185
   52    H    GLU  10           H        GLU  10 -15.573   7.134   1.959
   53    HA   GLU  10           HA       GLU  10 -17.445   6.217   4.099
   54    HB2  GLU  10           2HB      GLU  10 -18.079   4.592   2.072
   55    HB3  GLU  10           1HB      GLU  10 -18.776   6.206   2.209
   56    HG2  GLU  10           2HG      GLU  10 -17.213   7.115   0.636
   57    HG3  GLU  10           1HG      GLU  10 -16.227   5.651   0.673
   58    H    ASN  11           H        ASN  11 -14.400   5.903   3.770
   59    HA   ASN  11           HA       ASN  11 -14.099   3.005   3.406
   60    HB2  ASN  11           2HB      ASN  11 -12.344   4.651   2.688
   61    HB3  ASN  11           1HB      ASN  11 -12.063   5.024   4.389
   62   HD21  ASN  11          1HD2      ASN  11 -10.109   3.780   2.550
   63   HD22  ASN  11          2HD2      ASN  11  -9.745   2.253   3.197
   64    HA   PRO  12           HA       PRO  12 -14.907   2.369   7.752
   65    HB2  PRO  12           2HB      PRO  12 -14.681  -0.369   7.651
   66    HB3  PRO  12           1HB      PRO  12 -16.129   0.512   7.130
   67    HG2  PRO  12           2HG      PRO  12 -14.031  -0.803   5.466
   68    HG3  PRO  12           1HG      PRO  12 -15.732  -0.488   5.085
   69    HD2  PRO  12           2HD      PRO  12 -13.519   1.014   4.158
   70    HD3  PRO  12           1HD      PRO  12 -15.227   1.501   4.065
   71    H    CYS  13           H        CYS  13 -12.070   1.508   5.970
   72    HA   CYS  13           HA       CYS  13 -10.609   0.718   8.432
   73    HB2  CYS  13           2HB      CYS  13 -10.292   0.249   5.540
   74    HB3  CYS  13           1HB      CYS  13  -8.781   0.603   6.379
   75    H    CYS  14           H        CYS  14 -11.442   3.545   7.060
   76    HA   CYS  14           HA       CYS  14  -8.977   4.859   8.055
   77    HB2  CYS  14           2HB      CYS  14 -10.125   5.135   5.280
   78    HB3  CYS  14           1HB      CYS  14  -9.136   6.407   5.998
   79    H    ASP  15           H        ASP  15  -9.786   6.147   9.638
   80    HA   ASP  15           HA       ASP  15 -12.433   7.054   9.913
   81    HB2  ASP  15           2HB      ASP  15 -10.291   7.265  11.490
   82    HB3  ASP  15           1HB      ASP  15 -10.211   8.872  10.767
   83    H    ALA  16           H        ALA  16 -13.577   8.320   8.540
   84    HA   ALA  16           HA       ALA  16 -12.369   9.845   6.423
   85    HB1  ALA  16           1HB      ALA  16 -14.835   8.902   6.753
   86    HB2  ALA  16           2HB      ALA  16 -14.539  10.336   5.769
   87    HB3  ALA  16           3HB      ALA  16 -15.111  10.509   7.427
   88    H    ALA  17           H        ALA  17 -13.785  10.774   9.563
   89    HA   ALA  17           HA       ALA  17 -13.608  13.558   9.379
   90    HB1  ALA  17           1HB      ALA  17 -14.324  11.964  11.368
   91    HB2  ALA  17           2HB      ALA  17 -13.745  13.597  11.703
   92    HB3  ALA  17           3HB      ALA  17 -12.658  12.220  11.890
   93    H    THR  18           H        THR  18 -11.051  11.441  10.738
   94    HA   THR  18           HA       THR  18  -9.079  13.592  10.459
   95    HB   THR  18           HB       THR  18  -7.513  11.993  11.430
   96    HG1  THR  18           1HG      THR  18  -7.832  10.013  10.837
   97   HG21  THR  18          3HG2      THR  18  -8.930  11.285  13.461
   98   HG22  THR  18          1HG2      THR  18 -10.280  12.061  12.632
   99   HG23  THR  18          2HG2      THR  18  -8.864  13.008  13.091
  100    H    CYS  19           H        CYS  19 -10.295  11.029   8.527
  101    HA   CYS  19           HA       CYS  19  -9.775  10.491   6.290
  102    HB2  CYS  19           2HB      CYS  19  -8.884  13.021   6.451
  103    HB3  CYS  19           1HB      CYS  19  -7.332  12.202   6.284
  104    H    LYS  20           H        LYS  20  -8.147   9.679   8.957
  105    HA   LYS  20           HA       LYS  20  -6.055   8.177   7.420
  106    HB2  LYS  20           2HB      LYS  20  -5.976   9.286  10.234
  107    HB3  LYS  20           1HB      LYS  20  -4.811   8.106   9.633
  108    HG2  LYS  20           2HG      LYS  20  -5.063  10.212   7.699
  109    HG3  LYS  20           1HG      LYS  20  -4.759  10.928   9.282
  110    HD2  LYS  20           2HD      LYS  20  -3.097   8.596   8.937
  111    HD3  LYS  20           1HD      LYS  20  -2.874   9.694   7.574
  112    HE2  LYS  20           2HE      LYS  20  -1.574  10.982   8.883
  113    HE3  LYS  20           1HE      LYS  20  -2.989  11.325   9.880
  114    HZ1  LYS  20           3HZ      LYS  20  -1.464  10.405  11.350
  115    HZ2  LYS  20           1HZ      LYS  20  -0.940   9.231  10.245
  116    HZ3  LYS  20           2HZ      LYS  20  -2.472   9.092  10.967
  117    H    LEU  21           H        LEU  21  -5.395   6.099   8.544
  118    HA   LEU  21           HA       LEU  21  -7.396   4.214   8.672
  119    HB2  LEU  21           2HB      LEU  21  -4.782   4.380  10.163
  120    HB3  LEU  21           1HB      LEU  21  -5.850   2.987  10.346
  121    HG   LEU  21           HG       LEU  21  -5.497   3.733   7.546
  122   HD11  LEU  21          1HD1      LEU  21  -3.235   4.272   8.878
  123   HD12  LEU  21          2HD1      LEU  21  -3.216   3.530   7.278
  124   HD13  LEU  21          3HD1      LEU  21  -3.031   2.527   8.718
  125   HD21  LEU  21          3HD2      LEU  21  -5.544   1.345   9.299
  126   HD22  LEU  21          1HD2      LEU  21  -4.544   1.192   7.854
  127   HD23  LEU  21          2HD2      LEU  21  -6.257   1.584   7.703
  128    H    ARG  22           H        ARG  22  -9.112   3.849   9.996
  129    HA   ARG  22           HA       ARG  22  -9.407   5.460  12.433
  130    HB2  ARG  22           2HB      ARG  22 -11.228   4.583  10.633
  131    HB3  ARG  22           1HB      ARG  22 -11.371   3.312  11.847
  132    HG2  ARG  22           2HG      ARG  22 -11.567   6.281  12.408
  133    HG3  ARG  22           1HG      ARG  22 -12.932   5.171  12.312
  134    HD2  ARG  22           2HD      ARG  22 -11.522   3.817  14.108
  135    HD3  ARG  22           1HD      ARG  22 -10.819   5.405  14.420
  136    HE   ARG  22           HE       ARG  22 -13.654   5.680  14.363
  137   HH11  ARG  22          1HH1      ARG  22 -11.794   3.400  16.013
  138   HH12  ARG  22          2HH1      ARG  22 -12.339   3.851  17.594
  139   HH21  ARG  22          1HH2      ARG  22 -14.076   6.640  16.490
  140   HH22  ARG  22          2HH2      ARG  22 -13.631   5.684  17.864
  141    HA   PRO  23           HA       PRO  23  -9.237   1.117  14.399
  142    HB2  PRO  23           2HB      PRO  23  -8.619  -1.003  12.769
  143    HB3  PRO  23           1HB      PRO  23 -10.276  -0.441  13.048
  144    HG2  PRO  23           2HG      PRO  23  -8.575  -0.122  10.628
  145    HG3  PRO  23           1HG      PRO  23 -10.341  -0.099  10.769
  146    HD2  PRO  23           2HD      PRO  23  -8.627   2.162  10.516
  147    HD3  PRO  23           1HD      PRO  23 -10.366   2.184  10.870
  148    H    GLY  24           H        GLY  24  -7.334  -0.949  14.154
  149    HA2  GLY  24           2HA      GLY  24  -4.823   0.608  14.351
  150    HA3  GLY  24           1HA      GLY  24  -5.053  -1.050  14.909
  151    H    ALA  25           H        ALA  25  -6.207  -0.113  11.765
  152    HA   ALA  25           HA       ALA  25  -4.585  -2.135  10.472
  153    HB1  ALA  25           1HB      ALA  25  -5.576  -0.652   8.410
  154    HB2  ALA  25           2HB      ALA  25  -6.711  -0.226   9.692
  155    HB3  ALA  25           3HB      ALA  25  -6.492  -1.914   9.233
  156    H    GLN  26           H        GLN  26  -2.735  -1.853   9.231
  157    HA   GLN  26           HA       GLN  26  -1.240   0.631   9.650
  158    HB2  GLN  26           2HB      GLN  26  -0.638  -2.096   8.959
  159    HB3  GLN  26           1HB      GLN  26   0.077  -1.025   7.754
  160    HG2  GLN  26           2HG      GLN  26   1.761  -0.936   9.318
  161    HG3  GLN  26           1HG      GLN  26   0.740   0.349   9.963
  162   HE21  GLN  26          1HE2      GLN  26  -1.356  -1.268  11.079
  163   HE22  GLN  26          2HE2      GLN  26  -0.709  -2.159  12.370
  164    H    CYS  27           H        CYS  27  -3.283  -0.716   7.220
  165    HA   CYS  27           HA       CYS  27  -3.009   1.717   5.603
  166    HB2  CYS  27           2HB      CYS  27  -1.338   0.675   4.377
  167    HB3  CYS  27           1HB      CYS  27  -1.926  -0.941   4.734
  168    H    GLY  28           H        GLY  28  -4.971   2.171   4.637
  169    HA2  GLY  28           2HA      GLY  28  -7.167   0.262   5.142
  170    HA3  GLY  28           1HA      GLY  28  -7.358   1.934   4.621
  171    H    GLU  29           H        GLU  29  -5.324   1.641   2.535
  172    HA   GLU  29           HA       GLU  29  -6.484  -0.377   0.724
  173    HB2  GLU  29           2HB      GLU  29  -7.078   1.237  -0.955
  174    HB3  GLU  29           1HB      GLU  29  -7.860   1.723   0.540
  175    HG2  GLU  29           2HG      GLU  29  -6.834   3.713   0.420
  176    HG3  GLU  29           1HG      GLU  29  -5.272   2.901   0.519
  177    H    GLY  30           H        GLY  30  -4.992  -1.018  -0.864
  178    HA2  GLY  30           2HA      GLY  30  -2.836   0.298  -1.964
  179    HA3  GLY  30           1HA      GLY  30  -2.215  -0.230  -0.396
  180    H    LEU  31           H        LEU  31  -1.573  -1.142  -3.221
  181    HA   LEU  31           HA       LEU  31  -2.631  -3.708  -3.761
  182    HB2  LEU  31           2HB      LEU  31  -0.070  -2.308  -4.403
  183    HB3  LEU  31           1HB      LEU  31  -0.139  -4.051  -4.665
  184    HG   LEU  31           HG       LEU  31  -2.205  -2.118  -5.740
  185   HD11  LEU  31          1HD1      LEU  31   0.138  -3.390  -7.183
  186   HD12  LEU  31          2HD1      LEU  31   0.055  -1.695  -6.701
  187   HD13  LEU  31          3HD1      LEU  31  -1.076  -2.328  -7.896
  188   HD21  LEU  31          3HD2      LEU  31  -2.932  -3.995  -7.068
  189   HD22  LEU  31          1HD2      LEU  31  -2.805  -4.563  -5.403
  190   HD23  LEU  31          2HD2      LEU  31  -1.541  -4.958  -6.569
  191    H    CYS  32           H        CYS  32   0.139  -2.780  -1.727
  192    HA   CYS  32           HA       CYS  32   0.483  -5.587  -0.881
  193    HB2  CYS  32           2HB      CYS  32   1.963  -3.258   0.314
  194    HB3  CYS  32           1HB      CYS  32   2.520  -4.910   0.055
  195    H    CYS  33           H        CYS  33  -2.015  -4.252  -0.186
  196    HA   CYS  33           HA       CYS  33  -1.689  -4.089   2.779
  197    HB2  CYS  33           2HB      CYS  33  -3.832  -2.878   1.010
  198    HB3  CYS  33           1HB      CYS  33  -3.816  -2.796   2.771
  199    H    GLU  34           H        GLU  34  -2.202  -6.058   3.603
  200    HA   GLU  34           HA       GLU  34  -4.571  -7.480   2.456
  201    HB2  GLU  34           2HB      GLU  34  -2.077  -8.484   2.686
  202    HB3  GLU  34           1HB      GLU  34  -2.697  -8.896   4.286
  203    HG2  GLU  34           2HG      GLU  34  -4.388 -10.264   3.424
  204    HG3  GLU  34           1HG      GLU  34  -4.353  -9.476   1.845
  205    H    GLN  35           H        GLN  35  -6.348  -7.174   3.727
  206    HA   GLN  35           HA       GLN  35  -7.655  -7.171   5.696
  207    HB2  GLN  35           2HB      GLN  35  -5.579  -8.836   6.346
  208    HB3  GLN  35           1HB      GLN  35  -5.371  -7.550   7.535
  209    HG2  GLN  35           2HG      GLN  35  -8.133  -8.026   7.481
  210    HG3  GLN  35           1HG      GLN  35  -7.399  -9.629   7.421
  211   HE21  GLN  35          1HE2      GLN  35  -5.700 -10.081   9.146
  212   HE22  GLN  35          2HE2      GLN  35  -5.867  -9.325  10.657
  213    H    CYS  36           H        CYS  36  -6.266  -4.867   4.550
  214    HA   CYS  36           HA       CYS  36  -5.964  -2.608   5.058
  215    HB2  CYS  36           2HB      CYS  36  -7.301  -3.547   7.603
  216    HB3  CYS  36           1HB      CYS  36  -6.802  -1.870   7.364
  217    H    LYS  37           H        LYS  37  -3.934  -4.746   5.715
  218    HA   LYS  37           HA       LYS  37  -2.309  -3.089   7.600
  219    HB2  LYS  37           2HB      LYS  37  -2.452  -6.117   7.448
  220    HB3  LYS  37           1HB      LYS  37  -1.286  -5.217   8.420
  221    HG2  LYS  37           2HG      LYS  37  -3.452  -4.025   9.354
  222    HG3  LYS  37           1HG      LYS  37  -4.250  -5.495   8.795
  223    HD2  LYS  37           2HD      LYS  37  -2.031  -6.500  10.080
  224    HD3  LYS  37           1HD      LYS  37  -2.437  -5.103  11.078
  225    HE2  LYS  37           2HE      LYS  37  -4.686  -5.902  11.415
  226    HE3  LYS  37           1HE      LYS  37  -4.466  -7.184  10.224
  227    HZ1  LYS  37           3HZ      LYS  37  -4.049  -8.344  12.111
  228    HZ2  LYS  37           1HZ      LYS  37  -3.471  -6.997  12.965
  229    HZ3  LYS  37           2HZ      LYS  37  -2.476  -7.769  11.824
  230    H    PHE  38           H        PHE  38   0.121  -3.640   7.293
  231    HA   PHE  38           HA       PHE  38   0.710  -3.416   4.441
  232    HB2  PHE  38           2HB      PHE  38   2.495  -3.589   6.885
  233    HB3  PHE  38           1HB      PHE  38   3.104  -3.374   5.245
  234    HD1  PHE  38           1HD      PHE  38   0.928  -1.589   4.155
  235    HD2  PHE  38           2HD      PHE  38   3.057  -1.518   7.884
  236    HE1  PHE  38           1HE      PHE  38   0.535   0.852   4.335
  237    HE2  PHE  38           2HE      PHE  38   2.664   0.921   8.063
  238    HZ   PHE  38           HZ       PHE  38   1.402   2.109   6.290
  239    H    SER  39           H        SER  39   1.062  -5.122   3.110
  240    HA   SER  39           HA       SER  39   1.006  -7.833   4.003
  241    HB2  SER  39           2HB      SER  39   2.227  -6.813   1.420
  242    HB3  SER  39           1HB      SER  39   1.587  -8.425   1.728
  243    HG   SER  39           HG       SER  39  -0.462  -7.518   1.950
  244    H    ARG  40           H        ARG  40   3.145  -9.135   2.818
  245    HA   ARG  40           HA       ARG  40   5.357  -8.311   4.628
  246    HB2  ARG  40           2HB      ARG  40   4.680 -10.899   3.222
  247    HB3  ARG  40           1HB      ARG  40   6.251 -10.632   3.978
  248    HG2  ARG  40           2HG      ARG  40   5.353 -11.213   5.955
  249    HG3  ARG  40           1HG      ARG  40   4.313  -9.791   5.860
  250    HD2  ARG  40           2HD      ARG  40   2.599 -11.277   5.828
  251    HD3  ARG  40           1HD      ARG  40   3.056 -11.541   4.145
  252    HE   ARG  40           HE       ARG  40   4.492 -13.190   6.117
  253   HH11  ARG  40          1HH1      ARG  40   3.084 -13.163   3.119
  254   HH12  ARG  40          2HH1      ARG  40   2.316 -14.709   3.248
  255   HH21  ARG  40          1HH2      ARG  40   2.985 -15.055   6.632
  256   HH22  ARG  40          2HH2      ARG  40   2.260 -15.781   5.237
  257    H    ALA  41           H        ALA  41   7.608  -8.586   3.713
  258    HA   ALA  41           HA       ALA  41   7.840  -7.104   1.240
  259    HB1  ALA  41           1HB      ALA  41   9.883  -6.724   2.105
  260    HB2  ALA  41           2HB      ALA  41  10.296  -8.423   1.875
  261    HB3  ALA  41           3HB      ALA  41   9.557  -7.892   3.386
  262    H    GLY  42           H        GLY  42   9.357  -8.060  -0.555
  263    HA2  GLY  42           2HA      GLY  42   9.726  -9.762  -2.157
  264    HA3  GLY  42           1HA      GLY  42   9.229 -10.936  -0.941
  265    H    LYS  43           H        LYS  43   7.141  -8.226  -1.576
  266    HA   LYS  43           HA       LYS  43   5.147 -10.132  -2.710
  267    HB2  LYS  43           2HB      LYS  43   4.226  -8.928  -0.889
  268    HB3  LYS  43           1HB      LYS  43   4.942  -7.411  -1.424
  269    HG2  LYS  43           2HG      LYS  43   2.532  -7.442  -1.923
  270    HG3  LYS  43           1HG      LYS  43   3.469  -7.425  -3.414
  271    HD2  LYS  43           2HD      LYS  43   2.941  -9.614  -3.940
  272    HD3  LYS  43           1HD      LYS  43   2.732 -10.078  -2.251
  273    HE2  LYS  43           2HE      LYS  43   0.570  -9.986  -3.494
  274    HE3  LYS  43           1HE      LYS  43   0.620  -8.861  -2.137
  275    HZ1  LYS  43           3HZ      LYS  43   1.364  -7.144  -3.771
  276    HZ2  LYS  43           1HZ      LYS  43  -0.230  -7.685  -3.983
  277    HZ3  LYS  43           2HZ      LYS  43   1.000  -8.247  -5.012
  278    H    ILE  44           H        ILE  44   5.318 -10.253  -4.909
  279    HA   ILE  44           HA       ILE  44   6.308  -8.144  -6.578
  280    HB   ILE  44           HB       ILE  44   6.355 -10.435  -7.368
  281   HG12  ILE  44          2HG1      ILE  44   5.145 -10.151  -9.555
  282   HG13  ILE  44          1HG1      ILE  44   4.386  -8.702  -8.895
  283   HG21  ILE  44          1HG2      ILE  44   4.631 -11.702  -6.599
  284   HG22  ILE  44          2HG2      ILE  44   3.794 -11.150  -8.050
  285   HG23  ILE  44          3HG2      ILE  44   3.536 -10.322  -6.514
  286   HD11  ILE  44          3HD1      ILE  44   6.235  -7.468  -9.270
  287   HD12  ILE  44          1HD1      ILE  44   6.864  -8.833 -10.192
  288   HD13  ILE  44          2HD1      ILE  44   7.265  -8.663  -8.483
  289    H    CYS  45           H        CYS  45   5.081  -6.253  -5.957
  290    HA   CYS  45           HA       CYS  45   2.170  -6.241  -6.237
  291    HB2  CYS  45           2HB      CYS  45   2.481  -3.731  -5.988
  292    HB3  CYS  45           1HB      CYS  45   3.058  -4.708  -4.641
  293    H    ARG  46           H        ARG  46   4.884  -5.709  -8.336
  294    HA   ARG  46           HA       ARG  46   3.037  -5.352 -10.591
  295    HB2  ARG  46           2HB      ARG  46   3.206  -3.043  -9.982
  296    HB3  ARG  46           1HB      ARG  46   4.946  -3.169  -9.726
  297    HG2  ARG  46           2HG      ARG  46   5.393  -3.359 -12.040
  298    HG3  ARG  46           1HG      ARG  46   3.716  -3.759 -12.416
  299    HD2  ARG  46           2HD      ARG  46   2.986  -1.537 -12.072
  300    HD3  ARG  46           1HD      ARG  46   4.450  -1.102 -11.191
  301    HE   ARG  46           HE       ARG  46   5.450  -1.722 -13.655
  302   HH11  ARG  46          1HH1      ARG  46   5.193   1.130 -12.741
  303   HH12  ARG  46          2HH1      ARG  46   4.218   1.822 -13.994
  304   HH21  ARG  46          1HH2      ARG  46   3.149  -1.241 -15.220
  305   HH22  ARG  46          2HH2      ARG  46   3.061   0.480 -15.399
  306    H    ILE  47           H        ILE  47   3.900  -6.244 -12.408
  307    HA   ILE  47           HA       ILE  47   6.555  -7.472 -12.190
  308    HB   ILE  47           HB       ILE  47   4.491  -8.581 -13.206
  309   HG12  ILE  47          2HG1      ILE  47   6.530  -8.641 -15.344
  310   HG13  ILE  47          1HG1      ILE  47   7.159  -8.906 -13.718
  311   HG21  ILE  47          1HG2      ILE  47   5.220  -6.746 -15.510
  312   HG22  ILE  47          2HG2      ILE  47   3.761  -6.616 -14.527
  313   HG23  ILE  47          3HG2      ILE  47   4.010  -8.028 -15.553
  314   HD11  ILE  47          3HD1      ILE  47   6.030 -10.858 -15.278
  315   HD12  ILE  47          1HD1      ILE  47   4.657 -10.348 -14.295
  316   HD13  ILE  47          2HD1      ILE  47   6.132 -10.921 -13.518
  317    H    ALA  48           H        ALA  48   8.345  -6.934 -13.458
  318    HA   ALA  48           HA       ALA  48   8.316  -4.212 -14.594
  319    HB1  ALA  48           1HB      ALA  48  10.294  -4.491 -13.414
  320    HB2  ALA  48           2HB      ALA  48  10.830  -4.987 -15.020
  321    HB3  ALA  48           3HB      ALA  48  10.410  -6.205 -13.816
  322    H    ARG  49           H        ARG  49   9.130  -3.825 -16.800
  323    HA   ARG  49           HA       ARG  49   8.103  -5.825 -18.672
  324    HB2  ARG  49           2HB      ARG  49   9.695  -3.388 -19.465
  325    HB3  ARG  49           1HB      ARG  49   8.424  -4.212 -20.366
  326    HG2  ARG  49           2HG      ARG  49   7.921  -2.812 -17.729
  327    HG3  ARG  49           1HG      ARG  49   7.719  -2.022 -19.292
  328    HD2  ARG  49           2HD      ARG  49   6.334  -4.606 -18.532
  329    HD3  ARG  49           1HD      ARG  49   5.596  -3.014 -18.357
  330    HE   ARG  49           HE       ARG  49   5.771  -4.477 -20.806
  331   HH11  ARG  49          1HH1      ARG  49   5.536  -1.386 -19.366
  332   HH12  ARG  49          2HH1      ARG  49   5.467  -0.529 -20.870
  333   HH21  ARG  49          1HH2      ARG  49   5.975  -3.357 -22.811
  334   HH22  ARG  49          2HH2      ARG  49   5.715  -1.645 -22.819
  335    H    GLY  50           H        GLY  50  11.127  -4.991 -17.250
  336    HA2  GLY  50           2HA      GLY  50  12.678  -7.052 -17.541
  337    HA3  GLY  50           1HA      GLY  50  12.572  -6.661 -19.252
  338    H    ASP  51           H        ASP  51  14.997  -6.740 -17.838
  339    HA   ASP  51           HA       ASP  51  16.975  -5.461 -17.987
  340    HB2  ASP  51           2HB      ASP  51  15.191  -3.846 -19.362
  341    HB3  ASP  51           1HB      ASP  51  15.787  -2.804 -18.076
  342    H    TRP  52           H        TRP  52  14.307  -4.657 -15.915
  343    HA   TRP  52           HA       TRP  52  16.300  -3.884 -13.829
  344    HB2  TRP  52           2HB      TRP  52  14.445  -2.334 -12.935
  345    HB3  TRP  52           1HB      TRP  52  15.308  -1.796 -14.376
  346    HD1  TRP  52           HD       TRP  52  12.043  -3.572 -13.387
  347    HE1  TRP  52           1HE      TRP  52  10.281  -3.117 -15.209
  348    HE3  TRP  52           3HE      TRP  52  14.896  -0.994 -16.735
  349    HZ2  TRP  52           2HZ      TRP  52  10.110  -1.837 -17.751
  350    HZ3  TRP  52           3HZ      TRP  52  13.911  -0.181 -18.859
  351    HH2  TRP  52           HH       TRP  52  11.523  -0.605 -19.368
  352    H    ASN  53           H        ASN  53  15.358  -4.178 -11.581
  353    HA   ASN  53           HA       ASN  53  14.262  -6.817 -11.328
  354    HB2  ASN  53           2HB      ASN  53  15.040  -4.621  -9.509
  355    HB3  ASN  53           1HB      ASN  53  13.783  -5.690  -8.886
  356   HD21  ASN  53          1HD2      ASN  53  16.688  -6.315 -10.942
  357   HD22  ASN  53          2HD2      ASN  53  17.310  -7.536  -9.942
  358    H    ASP  54           H        ASP  54  12.171  -7.403 -10.419
  359    HA   ASP  54           HA       ASP  54   9.988  -5.843 -11.560
  360    HB2  ASP  54           2HB      ASP  54   9.667  -8.144  -9.634
  361    HB3  ASP  54           1HB      ASP  54   8.598  -7.656 -10.950
  362    H    ASP  55           H        ASP  55   7.997  -5.472 -10.041
  363    HA   ASP  55           HA       ASP  55   8.913  -3.717  -7.884
  364    HB2  ASP  55           2HB      ASP  55   6.727  -3.745  -9.579
  365    HB3  ASP  55           1HB      ASP  55   6.033  -4.256  -8.041
  366    H    ARG  56           H        ARG  56   8.976  -4.261  -5.736
  367    HA   ARG  56           HA       ARG  56   7.473  -6.672  -4.826
  368    HB2  ARG  56           2HB      ARG  56   9.963  -7.096  -5.434
  369    HB3  ARG  56           1HB      ARG  56  10.315  -6.191  -3.962
  370    HG2  ARG  56           2HG      ARG  56   9.929  -8.043  -2.764
  371    HG3  ARG  56           1HG      ARG  56   8.255  -8.024  -3.319
  372    HD2  ARG  56           2HD      ARG  56   9.138 -10.154  -3.965
  373    HD3  ARG  56           1HD      ARG  56   9.074  -9.183  -5.435
  374    HE   ARG  56           HE       ARG  56  11.617  -8.706  -4.555
  375   HH11  ARG  56          1HH1      ARG  56  10.647 -11.553  -3.372
  376   HH12  ARG  56          2HH1      ARG  56  11.594 -12.574  -4.402
  377   HH21  ARG  56          1HH2      ARG  56  12.457 -10.019  -6.584
  378   HH22  ARG  56          2HH2      ARG  56  12.619 -11.705  -6.222
  379    H    CYS  57           H        CYS  57   6.197  -5.927  -3.184
  380    HA   CYS  57           HA       CYS  57   6.594  -3.483  -1.790
  381    HB2  CYS  57           2HB      CYS  57   5.267  -5.865  -0.499
  382    HB3  CYS  57           1HB      CYS  57   4.870  -4.158  -0.322
  383    H    THR  58           H        THR  58   7.539  -3.042   0.233
  384    HA   THR  58           HA       THR  58   9.682  -4.920   1.014
  385    HB   THR  58           HB       THR  58  10.748  -3.104   1.981
  386    HG1  THR  58           1HG      THR  58   9.279  -1.210   2.545
  387   HG21  THR  58          3HG2      THR  58  10.272  -2.610  -0.422
  388   HG22  THR  58          1HG2      THR  58  10.445  -1.153   0.556
  389   HG23  THR  58          2HG2      THR  58   8.840  -1.711   0.081
  390    H    GLY  59           H        GLY  59   6.876  -5.576   1.610
  391    HA2  GLY  59           2HA      GLY  59   5.571  -6.312   3.422
  392    HA3  GLY  59           1HA      GLY  59   7.125  -6.610   4.204
  393    H    GLN  60           H        GLN  60   6.277  -3.391   3.181
  394    HA   GLN  60           HA       GLN  60   5.335  -2.629   5.874
  395    HB2  GLN  60           2HB      GLN  60   7.974  -1.803   4.680
  396    HB3  GLN  60           1HB      GLN  60   7.116  -0.713   5.770
  397    HG2  GLN  60           2HG      GLN  60   6.932  -3.004   7.193
  398    HG3  GLN  60           1HG      GLN  60   8.452  -3.303   6.349
  399   HE21  GLN  60          1HE2      GLN  60   6.854  -1.180   8.694
  400   HE22  GLN  60          2HE2      GLN  60   8.270  -0.408   9.224
  401    H    SER  61           H        SER  61   6.198  -1.637   2.574
  402    HA   SER  61           HA       SER  61   4.664   0.833   2.707
  403    HB2  SER  61           2HB      SER  61   5.425  -0.603   0.166
  404    HB3  SER  61           1HB      SER  61   5.255   1.129   0.436
  405    HG   SER  61           HG       SER  61   7.108   1.079   1.689
  406    H    ALA  62           H        ALA  62   2.582   1.206   1.861
  407    HA   ALA  62           HA       ALA  62   0.929  -1.240   1.548
  408    HB1  ALA  62           1HB      ALA  62   0.454   1.530   2.443
  409    HB2  ALA  62           2HB      ALA  62  -0.374   0.043   2.902
  410    HB3  ALA  62           3HB      ALA  62  -0.818   0.875   1.413
  411    H    ASP  63           H        ASP  63   1.226   1.947  -0.076
  412    HA   ASP  63           HA       ASP  63   0.006   0.849  -2.511
  413    HB2  ASP  63           2HB      ASP  63   1.359   3.538  -2.195
  414    HB3  ASP  63           1HB      ASP  63   0.123   3.079  -3.368
  415    H    CYS  64           H        CYS  64   1.275  -0.441  -3.771
  416    HA   CYS  64           HA       CYS  64   4.081  -0.618  -3.693
  417    HB2  CYS  64           2HB      CYS  64   2.726  -2.319  -4.798
  418    HB3  CYS  64           1HB      CYS  64   2.228  -1.164  -6.030
  419    HA   PRO  65           HA       PRO  65   5.048   3.254  -5.607
  420    HB2  PRO  65           2HB      PRO  65   7.704   3.082  -4.971
  421    HB3  PRO  65           1HB      PRO  65   6.473   3.636  -3.835
  422    HG2  PRO  65           2HG      PRO  65   7.973   1.075  -3.901
  423    HG3  PRO  65           1HG      PRO  65   7.153   1.858  -2.540
  424    HD2  PRO  65           2HD      PRO  65   6.184  -0.334  -4.078
  425    HD3  PRO  65           1HD      PRO  65   5.284   0.585  -2.854
  426    H    ARG  66           H        ARG  66   7.366   3.711  -6.961
  427    HA   ARG  66           HA       ARG  66   7.915   1.406  -8.735
  428    HB2  ARG  66           2HB      ARG  66   7.537   3.022 -10.731
  429    HB3  ARG  66           1HB      ARG  66   6.116   2.307  -9.969
  430    HG2  ARG  66           2HG      ARG  66   5.632   4.299  -8.759
  431    HG3  ARG  66           1HG      ARG  66   7.219   4.985  -9.109
  432    HD2  ARG  66           2HD      ARG  66   5.327   4.285 -11.345
  433    HD3  ARG  66           1HD      ARG  66   5.188   5.825 -10.498
  434    HE   ARG  66           HE       ARG  66   7.906   5.489 -11.259
  435   HH11  ARG  66          1HH2      ARG  66   4.768   6.308 -12.391
  436   HH12  ARG  66          2HH2      ARG  66   5.327   6.948 -13.900
  437   HH21  ARG  66          1HH1      ARG  66   8.650   6.149 -13.308
  438   HH22  ARG  66          2HH1      ARG  66   7.528   6.859 -14.419
  439    H    TYR  67           H        TYR  67  10.000   1.486  -9.553
  440    HA   TYR  67           HA       TYR  67  11.685   3.725  -8.597
  441    HB2  TYR  67           2HB      TYR  67  12.745   1.358 -10.114
  442    HB3  TYR  67           1HB      TYR  67  13.507   2.284  -8.821
  443    HD1  TYR  67           1HD      TYR  67  12.391   2.176  -6.477
  444    HD2  TYR  67           2HD      TYR  67  11.631  -0.652  -9.620
  445    HE1  TYR  67           1HE      TYR  67  11.545   0.549  -4.808
  446    HE2  TYR  67           2HE      TYR  67  10.787  -2.280  -7.949
  447    HH   TYR  67           HH       TYR  67   9.833  -1.518  -4.965
  448    H    HIS  68           H        HIS  68  11.597   1.853 -11.654
  449    HA   HIS  68           HA       HIS  68  12.293   4.381 -13.076
  450    HB2  HIS  68           2HB      HIS  68  12.404   1.563 -14.176
  451    HB3  HIS  68           1HB      HIS  68  13.177   3.007 -14.831
  452    HD1  HIS  68           1HD      HIS  68  14.730   4.219 -12.702
  453    HD2  HIS  68           2HD      HIS  68  14.308   0.075 -12.856
  454    HE1  HIS  68           1HE      HIS  68  16.636   3.254 -11.342
  Start of MODEL   18
    1    H    GLY   1           1HT      GLY   1   4.635  15.300   8.313
    2    HA2  GLY   1           1HA      GLY   1   2.653  14.730   9.361
    3    HA3  GLY   1           2HA      GLY   1   2.519  16.462   9.062
    4    H    LYS   2           H        LYS   2   1.694  13.298   7.634
    5    HA   LYS   2           HA       LYS   2  -0.468  14.624   6.080
    6    HB2  LYS   2           2HB      LYS   2   0.504  11.753   5.956
    7    HB3  LYS   2           1HB      LYS   2  -0.605  12.537   4.829
    8    HG2  LYS   2           2HG      LYS   2   1.667  14.209   4.973
    9    HG3  LYS   2           1HG      LYS   2   2.283  12.562   4.833
   10    HD2  LYS   2           2HD      LYS   2   0.885  12.173   2.861
   11    HD3  LYS   2           1HD      LYS   2   0.184  13.784   3.018
   12    HE2  LYS   2           2HE      LYS   2   3.119  13.796   2.980
   13    HE3  LYS   2           1HE      LYS   2   2.403  13.164   1.498
   14    HZ1  LYS   2           3HZ      LYS   2   1.397  15.131   1.026
   15    HZ2  LYS   2           1HZ      LYS   2   2.753  15.723   1.855
   16    HZ3  LYS   2           2HZ      LYS   2   1.259  15.596   2.655
   17    H    GLU   3           H        GLU   3  -2.479  14.613   6.947
   18    HA   GLU   3           HA       GLU   3  -3.077  12.739   9.165
   19    HB2  GLU   3           2HB      GLU   3  -4.067  15.368   8.274
   20    HB3  GLU   3           1HB      GLU   3  -5.336  14.268   8.814
   21    HG2  GLU   3           2HG      GLU   3  -4.739  15.190  10.847
   22    HG3  GLU   3           1HG      GLU   3  -3.616  13.830  10.800
   23    H    CYS   4           H        CYS   4  -2.984  12.097   6.137
   24    HA   CYS   4           HA       CYS   4  -5.615  10.708   6.144
   25    HB2  CYS   4           2HB      CYS   4  -5.547  12.768   4.610
   26    HB3  CYS   4           1HB      CYS   4  -4.417  11.846   3.619
   27    H    ASP   5           H        ASP   5  -4.972   8.625   6.404
   28    HA   ASP   5           HA       ASP   5  -2.509   7.624   5.162
   29    HB2  ASP   5           2HB      ASP   5  -3.632   6.933   7.453
   30    HB3  ASP   5           1HB      ASP   5  -4.564   5.840   6.429
   31    H    CYS   6           H        CYS   6  -5.527   8.256   3.992
   32    HA   CYS   6           HA       CYS   6  -5.281   6.091   1.946
   33    HB2  CYS   6           2HB      CYS   6  -7.744   5.991   1.837
   34    HB3  CYS   6           1HB      CYS   6  -7.180   5.607   3.462
   35    H    SER   7           H        SER   7  -6.586   6.767  -0.094
   36    HA   SER   7           HA       SER   7  -6.183   9.700  -0.519
   37    HB2  SER   7           2HB      SER   7  -5.736   7.327  -2.319
   38    HB3  SER   7           1HB      SER   7  -6.011   8.928  -2.999
   39    HG   SER   7           HG       SER   7  -4.139   8.561  -0.932
   40    H    SER   8           H        SER   8  -8.604   7.768   0.183
   41    HA   SER   8           HA       SER   8 -10.478   9.231  -1.594
   42    HB2  SER   8           2HB      SER   8 -10.320   6.232  -1.280
   43    HB3  SER   8           1HB      SER   8 -11.797   7.035  -1.805
   44    HG   SER   8           HG       SER   8 -10.597   7.938  -3.523
   45    HA   PRO   9           HA       PRO   9 -12.600   9.588   2.261
   46    HB2  PRO   9           2HB      PRO   9 -14.932  10.641   1.258
   47    HB3  PRO   9           1HB      PRO   9 -13.435  11.573   1.428
   48    HG2  PRO   9           2HG      PRO   9 -14.694  10.483  -1.043
   49    HG3  PRO   9           1HG      PRO   9 -13.613  11.873  -0.855
   50    HD2  PRO   9           2HD      PRO   9 -12.876   9.301  -1.800
   51    HD3  PRO   9           1HD      PRO   9 -11.764  10.604  -1.324
   52    H    GLU  10           H        GLU  10 -13.980   7.851  -0.477
   53    HA   GLU  10           HA       GLU  10 -16.100   6.633   1.159
   54    HB2  GLU  10           2HB      GLU  10 -15.222   5.942  -1.659
   55    HB3  GLU  10           1HB      GLU  10 -16.736   5.477  -0.883
   56    HG2  GLU  10           2HG      GLU  10 -17.589   7.657  -0.944
   57    HG3  GLU  10           1HG      GLU  10 -15.989   8.382  -1.107
   58    H    ASN  11           H        ASN  11 -13.493   6.136   2.172
   59    HA   ASN  11           HA       ASN  11 -13.082   3.262   1.484
   60    HB2  ASN  11           2HB      ASN  11 -11.076   4.617   1.170
   61    HB3  ASN  11           1HB      ASN  11 -11.227   5.270   2.802
   62   HD21  ASN  11          1HD2      ASN  11  -8.855   3.915   2.113
   63   HD22  ASN  11          2HD2      ASN  11  -8.798   2.429   2.931
   64    HA   PRO  12           HA       PRO  12 -14.850   2.569   5.514
   65    HB2  PRO  12           2HB      PRO  12 -14.614  -0.172   5.444
   66    HB3  PRO  12           1HB      PRO  12 -15.900   0.723   4.615
   67    HG2  PRO  12           2HG      PRO  12 -13.481  -0.587   3.462
   68    HG3  PRO  12           1HG      PRO  12 -15.049  -0.261   2.705
   69    HD2  PRO  12           2HD      PRO  12 -12.684   1.239   2.316
   70    HD3  PRO  12           1HD      PRO  12 -14.323   1.743   1.856
   71    H    CYS  13           H        CYS  13 -11.768   1.210   4.437
   72    HA   CYS  13           HA       CYS  13 -10.892   0.577   7.156
   73    HB2  CYS  13           2HB      CYS  13 -10.181  -0.430   4.772
   74    HB3  CYS  13           1HB      CYS  13  -8.939   0.818   4.915
   75    H    CYS  14           H        CYS  14 -11.187   3.413   5.396
   76    HA   CYS  14           HA       CYS  14  -9.019   4.693   7.011
   77    HB2  CYS  14           2HB      CYS  14  -8.345   4.817   4.709
   78    HB3  CYS  14           1HB      CYS  14  -9.960   5.305   4.198
   79    H    ASP  15           H        ASP  15 -10.055   5.751   8.639
   80    HA   ASP  15           HA       ASP  15 -12.768   6.595   8.614
   81    HB2  ASP  15           2HB      ASP  15 -10.953   6.423  10.560
   82    HB3  ASP  15           1HB      ASP  15 -10.758   8.139  10.205
   83    H    ALA  16           H        ALA  16 -13.667   8.176   7.397
   84    HA   ALA  16           HA       ALA  16 -12.046  10.055   5.898
   85    HB1  ALA  16           1HB      ALA  16 -14.272  11.024   5.250
   86    HB2  ALA  16           2HB      ALA  16 -15.039   9.892   6.364
   87    HB3  ALA  16           3HB      ALA  16 -14.155   9.287   4.962
   88    H    ALA  17           H        ALA  17 -13.883  10.176   8.903
   89    HA   ALA  17           HA       ALA  17 -14.089  12.941   9.313
   90    HB1  ALA  17           1HB      ALA  17 -14.995  11.309  10.906
   91    HB2  ALA  17           2HB      ALA  17 -13.923  12.430  11.744
   92    HB3  ALA  17           3HB      ALA  17 -13.363  10.806  11.346
   93    H    THR  18           H        THR  18 -11.280  10.823   9.803
   94    HA   THR  18           HA       THR  18  -9.614  13.282  10.161
   95    HB   THR  18           HB       THR  18  -9.291  12.022  12.124
   96    HG1  THR  18           1HG      THR  18  -7.342  12.377  10.728
   97   HG21  THR  18          3HG2      THR  18  -9.530   9.642  10.292
   98   HG22  THR  18          1HG2      THR  18 -10.502  10.042  11.708
   99   HG23  THR  18          2HG2      THR  18  -8.842   9.483  11.908
  100    H    CYS  19           H        CYS  19 -10.402  10.760   8.056
  101    HA   CYS  19           HA       CYS  19  -9.529  10.299   5.911
  102    HB2  CYS  19           2HB      CYS  19  -8.546  12.799   6.409
  103    HB3  CYS  19           1HB      CYS  19  -7.050  11.875   6.288
  104    H    LYS  20           H        LYS  20  -8.387   9.425   8.807
  105    HA   LYS  20           HA       LYS  20  -6.106   7.870   7.649
  106    HB2  LYS  20           2HB      LYS  20  -6.567   8.590  10.557
  107    HB3  LYS  20           1HB      LYS  20  -5.155   7.773   9.887
  108    HG2  LYS  20           2HG      LYS  20  -5.242  10.006   8.317
  109    HG3  LYS  20           1HG      LYS  20  -5.865  10.644   9.838
  110    HD2  LYS  20           2HD      LYS  20  -3.349   8.972   9.688
  111    HD3  LYS  20           1HD      LYS  20  -3.330  10.732   9.557
  112    HE2  LYS  20           2HE      LYS  20  -4.824  10.539  11.762
  113    HE3  LYS  20           1HE      LYS  20  -3.952   9.014  11.917
  114    HZ1  LYS  20           3HZ      LYS  20  -2.309  11.276  11.194
  115    HZ2  LYS  20           1HZ      LYS  20  -2.036  10.056  12.340
  116    HZ3  LYS  20           2HZ      LYS  20  -3.014  11.388  12.735
  117    H    LEU  21           H        LEU  21  -5.801   5.696   8.641
  118    HA   LEU  21           HA       LEU  21  -7.899   3.956   8.311
  119    HB2  LEU  21           2HB      LEU  21  -5.617   3.808  10.290
  120    HB3  LEU  21           1HB      LEU  21  -6.727   2.463  10.014
  121    HG   LEU  21           HG       LEU  21  -5.769   3.574   7.501
  122   HD11  LEU  21          1HD1      LEU  21  -3.805   4.060   9.055
  123   HD12  LEU  21          2HD1      LEU  21  -3.445   3.026   7.672
  124   HD13  LEU  21          3HD1      LEU  21  -3.661   2.315   9.271
  125   HD21  LEU  21          3HD2      LEU  21  -6.206   0.983   8.845
  126   HD22  LEU  21          1HD2      LEU  21  -4.875   0.983   7.687
  127   HD23  LEU  21          2HD2      LEU  21  -6.497   1.443   7.167
  128    H    ARG  22           H        ARG  22  -9.780   3.493   9.372
  129    HA   ARG  22           HA       ARG  22 -10.461   5.072  11.739
  130    HB2  ARG  22           2HB      ARG  22 -12.378   4.942  10.514
  131    HB3  ARG  22           1HB      ARG  22 -11.912   3.429   9.749
  132    HG2  ARG  22           2HG      ARG  22 -12.478   2.226  11.864
  133    HG3  ARG  22           1HG      ARG  22 -13.022   3.754  12.555
  134    HD2  ARG  22           2HD      ARG  22 -15.037   3.439  11.608
  135    HD3  ARG  22           1HD      ARG  22 -14.276   3.502  10.017
  136    HE   ARG  22           HE       ARG  22 -13.797   0.926  10.700
  137   HH11  ARG  22          1HH1      ARG  22 -16.399   2.292  12.251
  138   HH12  ARG  22          2HH1      ARG  22 -17.603   1.260  11.554
  139   HH21  ARG  22          1HH2      ARG  22 -15.436  -0.157   9.249
  140   HH22  ARG  22          2HH2      ARG  22 -17.057  -0.125   9.855
  141    HA   PRO  23           HA       PRO  23 -10.643   0.771  13.789
  142    HB2  PRO  23           2HB      PRO  23  -9.910  -1.411  12.287
  143    HB3  PRO  23           1HB      PRO  23 -11.572  -0.803  12.382
  144    HG2  PRO  23           2HG      PRO  23  -9.601  -0.544  10.155
  145    HG3  PRO  23           1HG      PRO  23 -11.372  -0.559  10.093
  146    HD2  PRO  23           2HD      PRO  23  -9.739   1.738   9.922
  147    HD3  PRO  23           1HD      PRO  23 -11.489   1.723  10.225
  148    H    GLY  24           H        GLY  24  -8.799  -1.339  13.857
  149    HA2  GLY  24           2HA      GLY  24  -6.286   0.147  14.318
  150    HA3  GLY  24           1HA      GLY  24  -6.628  -1.497  14.855
  151    H    ALA  25           H        ALA  25  -7.335  -0.588  11.570
  152    HA   ALA  25           HA       ALA  25  -5.573  -2.655  10.546
  153    HB1  ALA  25           1HB      ALA  25  -7.479  -2.366   9.219
  154    HB2  ALA  25           2HB      ALA  25  -6.263  -1.475   8.302
  155    HB3  ALA  25           3HB      ALA  25  -7.405  -0.606   9.325
  156    H    GLN  26           H        GLN  26  -3.549  -2.406   9.585
  157    HA   GLN  26           HA       GLN  26  -2.036  -0.037  10.246
  158    HB2  GLN  26           2HB      GLN  26  -1.526  -2.665   9.068
  159    HB3  GLN  26           1HB      GLN  26  -0.571  -1.391   8.309
  160    HG2  GLN  26           2HG      GLN  26  -0.776  -1.613  11.311
  161    HG3  GLN  26           1HG      GLN  26   0.422  -2.537  10.405
  162   HE21  GLN  26          1HE2      GLN  26   2.286  -1.424   9.666
  163   HE22  GLN  26          2HE2      GLN  26   2.529   0.242   9.874
  164    H    CYS  27           H        CYS  27  -3.147  -1.379   7.112
  165    HA   CYS  27           HA       CYS  27  -2.938   1.398   6.025
  166    HB2  CYS  27           2HB      CYS  27  -1.253   0.496   4.768
  167    HB3  CYS  27           1HB      CYS  27  -1.800  -1.153   5.028
  168    H    GLY  28           H        GLY  28  -4.822   2.142   5.197
  169    HA2  GLY  28           2HA      GLY  28  -7.143   0.350   5.108
  170    HA3  GLY  28           1HA      GLY  28  -7.166   2.090   4.817
  171    H    GLU  29           H        GLU  29  -4.915   1.859   2.872
  172    HA   GLU  29           HA       GLU  29  -6.120   0.272   0.679
  173    HB2  GLU  29           2HB      GLU  29  -7.214   2.480   0.537
  174    HB3  GLU  29           1HB      GLU  29  -5.633   3.261   0.498
  175    HG2  GLU  29           2HG      GLU  29  -5.858   1.138  -1.492
  176    HG3  GLU  29           1HG      GLU  29  -7.080   2.389  -1.716
  177    H    GLY  30           H        GLY  30  -4.563  -0.359  -0.858
  178    HA2  GLY  30           2HA      GLY  30  -2.153   0.768  -1.558
  179    HA3  GLY  30           1HA      GLY  30  -1.773  -0.042  -0.038
  180    H    LEU  31           H        LEU  31  -0.433  -0.980  -2.178
  181    HA   LEU  31           HA       LEU  31  -1.879  -3.155  -3.504
  182    HB2  LEU  31           2HB      LEU  31   0.801  -1.926  -3.656
  183    HB3  LEU  31           1HB      LEU  31   0.782  -3.667  -3.935
  184    HG   LEU  31           HG       LEU  31  -0.959  -1.640  -5.365
  185   HD11  LEU  31          1HD1      LEU  31   0.893  -1.343  -6.626
  186   HD12  LEU  31          2HD1      LEU  31   0.625  -2.986  -7.210
  187   HD13  LEU  31          3HD1      LEU  31   1.722  -2.697  -5.860
  188   HD21  LEU  31          3HD2      LEU  31  -1.008  -4.570  -5.118
  189   HD22  LEU  31          1HD2      LEU  31  -0.978  -4.010  -6.790
  190   HD23  LEU  31          2HD2      LEU  31  -2.258  -3.472  -5.703
  191    H    CYS  32           H        CYS  32   0.736  -2.929  -1.081
  192    HA   CYS  32           HA       CYS  32   0.479  -5.815  -0.517
  193    HB2  CYS  32           2HB      CYS  32   2.254  -3.769   0.841
  194    HB3  CYS  32           1HB      CYS  32   2.436  -5.525   0.867
  195    H    CYS  33           H        CYS  33  -1.877  -4.532   0.077
  196    HA   CYS  33           HA       CYS  33  -1.809  -4.401   3.062
  197    HB2  CYS  33           2HB      CYS  33  -3.641  -2.942   1.134
  198    HB3  CYS  33           1HB      CYS  33  -3.799  -2.909   2.888
  199    H    GLU  34           H        GLU  34  -2.335  -6.576   3.420
  200    HA   GLU  34           HA       GLU  34  -4.850  -7.583   2.174
  201    HB2  GLU  34           2HB      GLU  34  -2.986  -9.278   3.818
  202    HB3  GLU  34           1HB      GLU  34  -4.048  -9.761   2.497
  203    HG2  GLU  34           2HG      GLU  34  -2.607  -8.533   0.901
  204    HG3  GLU  34           1HG      GLU  34  -1.531  -8.093   2.226
  205    H    GLN  35           H        GLN  35  -6.609  -7.987   3.503
  206    HA   GLN  35           HA       GLN  35  -7.900  -7.928   5.457
  207    HB2  GLN  35           2HB      GLN  35  -6.058  -9.686   6.061
  208    HB3  GLN  35           1HB      GLN  35  -5.393  -8.393   7.060
  209    HG2  GLN  35           2HG      GLN  35  -7.185  -8.404   8.515
  210    HG3  GLN  35           1HG      GLN  35  -8.321  -8.945   7.278
  211   HE21  GLN  35          1HE2      GLN  35  -6.459 -10.000   9.943
  212   HE22  GLN  35          2HE2      GLN  35  -6.593 -11.672   9.678
  213    H    CYS  36           H        CYS  36  -6.387  -5.578   4.399
  214    HA   CYS  36           HA       CYS  36  -6.200  -3.318   4.966
  215    HB2  CYS  36           2HB      CYS  36  -7.894  -4.422   7.135
  216    HB3  CYS  36           1HB      CYS  36  -7.064  -2.920   7.488
  217    H    LYS  37           H        LYS  37  -4.191  -5.519   5.877
  218    HA   LYS  37           HA       LYS  37  -2.766  -3.717   7.787
  219    HB2  LYS  37           2HB      LYS  37  -1.998  -5.520   9.066
  220    HB3  LYS  37           1HB      LYS  37  -3.650  -5.998   8.689
  221    HG2  LYS  37           2HG      LYS  37  -2.892  -7.454   6.914
  222    HG3  LYS  37           1HG      LYS  37  -1.240  -6.857   7.063
  223    HD2  LYS  37           2HD      LYS  37  -1.543  -9.049   8.195
  224    HD3  LYS  37           1HD      LYS  37  -1.084  -7.777   9.327
  225    HE2  LYS  37           2HE      LYS  37  -2.964  -8.118  10.512
  226    HE3  LYS  37           1HE      LYS  37  -3.944  -7.803   9.080
  227    HZ1  LYS  37           3HZ      LYS  37  -4.454  -9.978   9.752
  228    HZ2  LYS  37           1HZ      LYS  37  -2.827 -10.388   9.990
  229    HZ3  LYS  37           2HZ      LYS  37  -3.422 -10.157   8.416
  230    H    PHE  38           H        PHE  38  -0.294  -4.431   7.781
  231    HA   PHE  38           HA       PHE  38   0.622  -3.993   5.046
  232    HB2  PHE  38           2HB      PHE  38   1.919  -4.240   7.742
  233    HB3  PHE  38           1HB      PHE  38   2.914  -4.355   6.296
  234    HD1  PHE  38           2HD      PHE  38   0.469  -2.311   5.085
  235    HD2  PHE  38           1HD      PHE  38   3.551  -2.232   8.083
  236    HE1  PHE  38           2HE      PHE  38   0.548   0.152   4.944
  237    HE2  PHE  38           1HE      PHE  38   3.618   0.240   7.938
  238    HZ   PHE  38           HZ       PHE  38   2.118   1.432   6.369
  239    H    SER  39           H        SER  39   1.174  -5.544   3.617
  240    HA   SER  39           HA       SER  39   0.912  -8.333   4.240
  241    HB2  SER  39           2HB      SER  39   2.436  -7.184   1.883
  242    HB3  SER  39           1HB      SER  39   1.605  -8.734   1.982
  243    HG   SER  39           HG       SER  39   0.004  -7.635   1.164
  244    H    ARG  40           H        ARG  40   3.764  -8.308   2.520
  245    HA   ARG  40           HA       ARG  40   5.465  -8.264   4.958
  246    HB2  ARG  40           2HB      ARG  40   5.023 -10.586   3.086
  247    HB3  ARG  40           1HB      ARG  40   6.554 -10.411   3.946
  248    HG2  ARG  40           2HG      ARG  40   5.343 -10.335   6.095
  249    HG3  ARG  40           1HG      ARG  40   3.811 -10.509   5.238
  250    HD2  ARG  40           2HD      ARG  40   5.630 -12.569   4.373
  251    HD3  ARG  40           1HD      ARG  40   5.523 -12.581   6.134
  252    HE   ARG  40           HE       ARG  40   2.880 -12.376   5.193
  253   HH11  ARG  40          1HH2      ARG  40   5.249 -14.606   6.055
  254   HH12  ARG  40          2HH2      ARG  40   4.426 -15.988   5.412
  255   HH21  ARG  40          1HH1      ARG  40   1.935 -14.124   3.882
  256   HH22  ARG  40          2HH1      ARG  40   2.550 -15.715   4.182
  257    H    ALA  41           H        ALA  41   7.755  -8.014   4.444
  258    HA   ALA  41           HA       ALA  41   8.213  -6.312   2.151
  259    HB1  ALA  41           1HB      ALA  41  10.315  -5.931   3.059
  260    HB2  ALA  41           2HB      ALA  41  10.480  -7.590   3.635
  261    HB3  ALA  41           3HB      ALA  41   9.443  -6.454   4.499
  262    H    GLY  42           H        GLY  42   9.977  -6.798   0.530
  263    HA2  GLY  42           2HA      GLY  42  10.917  -8.203  -1.110
  264    HA3  GLY  42           1HA      GLY  42  10.716  -9.549   0.016
  265    H    LYS  43           H        LYS  43   7.952  -7.595  -0.623
  266    HA   LYS  43           HA       LYS  43   6.693  -9.893  -2.024
  267    HB2  LYS  43           2HB      LYS  43   5.337  -9.156  -0.247
  268    HB3  LYS  43           1HB      LYS  43   5.655  -7.458  -0.584
  269    HG2  LYS  43           2HG      LYS  43   3.403  -7.948  -1.315
  270    HG3  LYS  43           1HG      LYS  43   4.397  -7.732  -2.751
  271    HD2  LYS  43           2HD      LYS  43   4.623 -10.152  -3.007
  272    HD3  LYS  43           1HD      LYS  43   3.734 -10.416  -1.506
  273    HE2  LYS  43           2HE      LYS  43   2.199  -8.695  -3.231
  274    HE3  LYS  43           1HE      LYS  43   2.663 -10.147  -4.116
  275    HZ1  LYS  43           3HZ      LYS  43   1.704 -11.515  -2.468
  276    HZ2  LYS  43           1HZ      LYS  43   0.554 -10.316  -2.811
  277    HZ3  LYS  43           2HZ      LYS  43   1.489 -10.216  -1.396
  278    H    ILE  44           H        ILE  44   6.702  -9.861  -4.206
  279    HA   ILE  44           HA       ILE  44   7.468  -7.635  -5.799
  280    HB   ILE  44           HB       ILE  44   7.559  -9.934  -6.645
  281   HG12  ILE  44          2HG1      ILE  44   6.497  -9.543  -8.856
  282   HG13  ILE  44          1HG1      ILE  44   5.604  -8.185  -8.172
  283   HG21  ILE  44          1HG2      ILE  44   5.270 -10.429  -5.428
  284   HG22  ILE  44          2HG2      ILE  44   5.694 -11.308  -6.897
  285   HG23  ILE  44          3HG2      ILE  44   4.576  -9.946  -6.975
  286   HD11  ILE  44          3HD1      ILE  44   8.313  -7.778  -7.470
  287   HD12  ILE  44          1HD1      ILE  44   7.360  -6.856  -8.632
  288   HD13  ILE  44          2HD1      ILE  44   8.308  -8.242  -9.171
  289    H    CYS  45           H        CYS  45   6.149  -5.898  -4.886
  290    HA   CYS  45           HA       CYS  45   3.252  -5.948  -5.159
  291    HB2  CYS  45           2HB      CYS  45   3.463  -3.499  -4.658
  292    HB3  CYS  45           1HB      CYS  45   4.247  -4.527  -3.462
  293    H    ARG  46           H        ARG  46   5.942  -5.013  -7.187
  294    HA   ARG  46           HA       ARG  46   3.957  -4.176  -9.258
  295    HB2  ARG  46           2HB      ARG  46   5.481  -2.344  -8.123
  296    HB3  ARG  46           1HB      ARG  46   6.709  -2.987  -9.215
  297    HG2  ARG  46           2HG      ARG  46   4.724  -2.769 -10.984
  298    HG3  ARG  46           1HG      ARG  46   4.179  -1.529  -9.853
  299    HD2  ARG  46           2HD      ARG  46   5.635  -0.129 -10.859
  300    HD3  ARG  46           1HD      ARG  46   6.922  -1.067 -10.103
  301    HE   ARG  46           HE       ARG  46   5.874  -1.983 -12.731
  302   HH11  ARG  46          1HH2      ARG  46   8.449  -2.700 -11.048
  303   HH12  ARG  46          2HH2      ARG  46   9.656  -2.013 -12.082
  304   HH21  ARG  46          1HH1      ARG  46   7.385  -0.188 -13.962
  305   HH22  ARG  46          2HH1      ARG  46   9.054  -0.590 -13.731
  306    H    ILE  47           H        ILE  47   3.994  -5.878 -10.660
  307    HA   ILE  47           HA       ILE  47   6.442  -7.385 -11.190
  308    HB   ILE  47           HB       ILE  47   4.267  -8.519 -11.281
  309   HG12  ILE  47          2HG1      ILE  47   4.559  -9.674 -13.370
  310   HG13  ILE  47          1HG1      ILE  47   5.346  -8.276 -14.103
  311   HG21  ILE  47          1HG2      ILE  47   2.485  -7.466 -12.156
  312   HG22  ILE  47          2HG2      ILE  47   3.237  -7.522 -13.751
  313   HG23  ILE  47          3HG2      ILE  47   3.522  -6.143 -12.689
  314   HD11  ILE  47          3HD1      ILE  47   6.444  -9.820 -11.735
  315   HD12  ILE  47          1HD1      ILE  47   7.244  -8.498 -12.586
  316   HD13  ILE  47          2HD1      ILE  47   6.973 -10.037 -13.403
  317    H    ALA  48           H        ALA  48   7.995  -6.617 -12.546
  318    HA   ALA  48           HA       ALA  48   7.908  -4.265 -14.013
  319    HB1  ALA  48           1HB      ALA  48   9.598  -6.637 -13.985
  320    HB2  ALA  48           2HB      ALA  48  10.044  -4.954 -14.263
  321    HB3  ALA  48           3HB      ALA  48   9.479  -5.949 -15.605
  322    H    ARG  49           H        ARG  49   6.431  -3.673 -15.511
  323    HA   ARG  49           HA       ARG  49   4.899  -5.591 -17.045
  324    HB2  ARG  49           2HB      ARG  49   5.211  -2.619 -17.562
  325    HB3  ARG  49           1HB      ARG  49   3.886  -3.656 -18.094
  326    HG2  ARG  49           2HG      ARG  49   4.583  -3.214 -15.180
  327    HG3  ARG  49           1HG      ARG  49   3.374  -2.264 -16.044
  328    HD2  ARG  49           2HD      ARG  49   3.075  -5.174 -16.378
  329    HD3  ARG  49           1HD      ARG  49   2.850  -4.613 -14.721
  330    HE   ARG  49           HE       ARG  49   1.222  -3.732 -17.059
  331   HH11  ARG  49          1HH2      ARG  49   1.879  -2.124 -14.354
  332   HH12  ARG  49          2HH2      ARG  49   0.339  -2.297 -13.583
  333   HH21  ARG  49          1HH1      ARG  49  -0.783  -4.736 -15.776
  334   HH22  ARG  49          2HH1      ARG  49  -1.167  -3.775 -14.386
  335    H    GLY  50           H        GLY  50   6.984  -6.664 -17.874
  336    HA2  GLY  50           2HA      GLY  50   7.382  -6.711 -20.495
  337    HA3  GLY  50           1HA      GLY  50   8.202  -5.191 -20.145
  338    H    ASP  51           H        ASP  51  10.270  -5.272 -19.317
  339    HA   ASP  51           HA       ASP  51  11.302  -7.739 -18.106
  340    HB2  ASP  51           2HB      ASP  51  11.548  -7.388 -20.887
  341    HB3  ASP  51           1HB      ASP  51  13.129  -6.980 -20.222
  342    H    TRP  52           H        TRP  52  11.261  -5.729 -16.553
  343    HA   TRP  52           HA       TRP  52  13.961  -4.461 -16.732
  344    HB2  TRP  52           2HB      TRP  52  12.150  -2.782 -15.240
  345    HB3  TRP  52           1HB      TRP  52  13.097  -2.382 -16.670
  346    HD1  TRP  52           HD       TRP  52   9.672  -3.686 -15.609
  347    HE1  TRP  52           1HE      TRP  52   8.024  -3.402 -17.567
  348    HE3  TRP  52           3HE      TRP  52  12.900  -2.162 -19.245
  349    HZ2  TRP  52           2HZ      TRP  52   8.070  -2.622 -20.316
  350    HZ3  TRP  52           3HZ      TRP  52  12.076  -1.649 -21.528
  351    HH2  TRP  52           HH       TRP  52   9.666  -1.878 -22.066
  352    H    ASN  53           H        ASN  53  13.643  -3.117 -14.180
  353    HA   ASN  53           HA       ASN  53  14.345  -5.318 -12.437
  354    HB2  ASN  53           2HB      ASN  53  13.681  -2.470 -11.642
  355    HB3  ASN  53           1HB      ASN  53  14.653  -3.631 -10.735
  356   HD21  ASN  53          1HD2      ASN  53  16.569  -2.240 -10.834
  357   HD22  ASN  53          2HD2      ASN  53  17.431  -2.036 -12.283
  358    H    ASP  54           H        ASP  54  13.213  -5.490 -10.209
  359    HA   ASP  54           HA       ASP  54  10.248  -5.341 -10.606
  360    HB2  ASP  54           2HB      ASP  54  10.363  -7.344  -8.884
  361    HB3  ASP  54           1HB      ASP  54  10.618  -7.642 -10.604
  362    H    ASP  55           H        ASP  55   9.019  -4.748  -8.750
  363    HA   ASP  55           HA       ASP  55  10.642  -3.418  -6.631
  364    HB2  ASP  55           2HB      ASP  55   8.800  -2.227  -8.078
  365    HB3  ASP  55           1HB      ASP  55   7.681  -3.025  -6.972
  366    H    ARG  56           H        ARG  56  10.546  -4.157  -4.549
  367    HA   ARG  56           HA       ARG  56   8.485  -6.238  -3.922
  368    HB2  ARG  56           2HB      ARG  56  11.262  -6.081  -2.728
  369    HB3  ARG  56           1HB      ARG  56  10.098  -7.397  -2.575
  370    HG2  ARG  56           2HG      ARG  56  10.435  -6.979  -5.347
  371    HG3  ARG  56           1HG      ARG  56  12.055  -6.955  -4.649
  372    HD2  ARG  56           2HD      ARG  56  11.518  -9.085  -3.450
  373    HD3  ARG  56           1HD      ARG  56   9.972  -9.130  -4.300
  374    HE   ARG  56           HE       ARG  56  12.602  -9.226  -5.726
  375   HH11  ARG  56          1HH2      ARG  56   9.380  -9.065  -6.406
  376   HH12  ARG  56          2HH2      ARG  56   9.280 -10.557  -7.279
  377   HH21  ARG  56          1HH1      ARG  56  12.452 -11.615  -6.366
  378   HH22  ARG  56          2HH1      ARG  56  11.017 -12.000  -7.258
  379    H    CYS  57           H        CYS  57   7.117  -5.575  -2.355
  380    HA   CYS  57           HA       CYS  57   7.279  -3.138  -0.970
  381    HB2  CYS  57           2HB      CYS  57   5.729  -5.620  -0.705
  382    HB3  CYS  57           1HB      CYS  57   5.946  -4.764   0.818
  383    H    THR  58           H        THR  58   7.912  -2.649   1.213
  384    HA   THR  58           HA       THR  58  10.218  -4.271   2.121
  385    HB   THR  58           HB       THR  58  10.927  -2.361   3.307
  386    HG1  THR  58           1HG      THR  58   9.561  -1.087   4.269
  387   HG21  THR  58          3HG2      THR  58   9.430  -1.536   0.817
  388   HG22  THR  58          1HG2      THR  58  11.156  -1.851   0.994
  389   HG23  THR  58          2HG2      THR  58  10.444  -0.411   1.721
  390    H    GLY  59           H        GLY  59   7.120  -4.691   2.540
  391    HA2  GLY  59           2HA      GLY  59   6.011  -5.953   4.211
  392    HA3  GLY  59           1HA      GLY  59   7.435  -5.788   5.237
  393    H    GLN  60           H        GLN  60   7.765  -3.126   5.539
  394    HA   GLN  60           HA       GLN  60   5.403  -2.390   7.130
  395    HB2  GLN  60           2HB      GLN  60   7.879  -0.706   6.755
  396    HB3  GLN  60           1HB      GLN  60   6.778  -0.745   8.132
  397    HG2  GLN  60           2HG      GLN  60   7.588  -2.841   8.870
  398    HG3  GLN  60           1HG      GLN  60   8.352  -3.187   7.319
  399   HE21  GLN  60          1HE2      GLN  60   9.051  -2.169  10.445
  400   HE22  GLN  60          2HE2      GLN  60  10.518  -1.370  10.140
  401    H    SER  61           H        SER  61   6.045  -2.119   3.944
  402    HA   SER  61           HA       SER  61   4.946   0.651   3.737
  403    HB2  SER  61           2HB      SER  61   5.991  -0.943   1.408
  404    HB3  SER  61           1HB      SER  61   5.907   0.805   1.601
  405    HG   SER  61           HG       SER  61   7.666   0.767   2.835
  406    H    ALA  62           H        ALA  62   3.182   1.011   2.219
  407    HA   ALA  62           HA       ALA  62   1.574  -1.453   1.668
  408    HB1  ALA  62           1HB      ALA  62   0.836   1.087   3.022
  409    HB2  ALA  62           2HB      ALA  62   0.169  -0.532   3.226
  410    HB3  ALA  62           3HB      ALA  62  -0.338   0.463   1.862
  411    H    ASP  63           H        ASP  63   2.064   1.967   0.740
  412    HA   ASP  63           HA       ASP  63   0.841   1.503  -1.889
  413    HB2  ASP  63           2HB      ASP  63   2.293   3.883  -0.690
  414    HB3  ASP  63           1HB      ASP  63   1.590   3.876  -2.308
  415    H    CYS  64           H        CYS  64   2.144   0.000  -2.966
  416    HA   CYS  64           HA       CYS  64   4.976  -0.055  -2.980
  417    HB2  CYS  64           2HB      CYS  64   3.643  -1.915  -3.816
  418    HB3  CYS  64           1HB      CYS  64   3.030  -0.920  -5.135
  419    HA   PRO  65           HA       PRO  65   5.779   3.562  -5.362
  420    HB2  PRO  65           2HB      PRO  65   8.496   3.294  -5.200
  421    HB3  PRO  65           1HB      PRO  65   7.513   3.954  -3.892
  422    HG2  PRO  65           2HG      PRO  65   8.872   1.321  -4.098
  423    HG3  PRO  65           1HG      PRO  65   8.358   2.206  -2.652
  424    HD2  PRO  65           2HD      PRO  65   7.025  -0.002  -3.849
  425    HD3  PRO  65           1HD      PRO  65   6.407   1.032  -2.545
  426    H    ARG  66           H        ARG  66   6.912   4.033  -7.443
  427    HA   ARG  66           HA       ARG  66   7.580   1.569  -9.001
  428    HB2  ARG  66           2HB      ARG  66   6.562   2.934 -10.981
  429    HB3  ARG  66           1HB      ARG  66   5.467   2.104  -9.875
  430    HG2  ARG  66           2HG      ARG  66   4.771   4.067  -8.866
  431    HG3  ARG  66           1HG      ARG  66   6.285   4.903  -9.213
  432    HD2  ARG  66           2HD      ARG  66   4.414   5.765 -10.602
  433    HD3  ARG  66           1HD      ARG  66   5.690   5.049 -11.587
  434    HE   ARG  66           HE       ARG  66   4.106   2.926 -11.414
  435   HH11  ARG  66          1HH1      ARG  66   2.256   5.370 -10.385
  436   HH12  ARG  66          2HH1      ARG  66   1.192   5.454 -11.749
  437   HH21  ARG  66          1HH2      ARG  66   3.154   3.404 -13.742
  438   HH22  ARG  66          2HH2      ARG  66   1.700   4.341 -13.649
  439    H    TYR  67           H        TYR  67   8.841   2.180 -11.047
  440    HA   TYR  67           HA       TYR  67  10.591   4.542 -10.485
  441    HB2  TYR  67           2HB      TYR  67  11.508   1.978 -11.802
  442    HB3  TYR  67           1HB      TYR  67  12.507   3.294 -11.185
  443    HD1  TYR  67           2HD      TYR  67  11.524   3.912  -8.582
  444    HD2  TYR  67           1HD      TYR  67  11.781   0.070 -10.487
  445    HE1  TYR  67           2HE      TYR  67  11.606   2.816  -6.359
  446    HE2  TYR  67           1HE      TYR  67  11.863  -1.026  -8.264
  447    HH   TYR  67           HH       TYR  67  11.067  -0.421  -5.886
  448    H    HIS  68           H        HIS  68   8.962   2.554 -12.886
  449    HA   HIS  68           HA       HIS  68   9.911   4.340 -15.060
  450    HB2  HIS  68           2HB      HIS  68   9.121   1.587 -14.903
  451    HB3  HIS  68           1HB      HIS  68   8.039   2.419 -16.021
  452    HD1  HIS  68           1HD      HIS  68   9.007   3.220 -18.239
  453    HD2  HIS  68           2HD      HIS  68  11.919   1.712 -15.664
  454    HE1  HIS  68           1HE      HIS  68  11.139   3.042 -19.594
  Start of MODEL   19
    1    H    GLY   1           1HT      GLY   1   3.724  16.919   8.482
    2    HA2  GLY   1           1HA      GLY   1   1.549  16.375   9.567
    3    HA3  GLY   1           2HA      GLY   1   1.447  17.012   7.925
    4    H    LYS   2           H        LYS   2   0.675  14.372   9.953
    5    HA   LYS   2           HA       LYS   2  -0.226  12.816   7.560
    6    HB2  LYS   2           2HB      LYS   2   0.576  11.629  10.230
    7    HB3  LYS   2           1HB      LYS   2   0.235  10.764   8.730
    8    HG2  LYS   2           2HG      LYS   2   2.322  11.109   7.935
    9    HG3  LYS   2           1HG      LYS   2   2.302  12.809   8.404
   10    HD2  LYS   2           2HD      LYS   2   3.575  12.364  10.202
   11    HD3  LYS   2           1HD      LYS   2   2.400  11.178  10.772
   12    HE2  LYS   2           2HE      LYS   2   3.814   9.516  10.234
   13    HE3  LYS   2           1HE      LYS   2   3.785  10.039   8.550
   14    HZ1  LYS   2           3HZ      LYS   2   6.028  10.037   9.546
   15    HZ2  LYS   2           1HZ      LYS   2   5.522  11.231  10.639
   16    HZ3  LYS   2           2HZ      LYS   2   5.555  11.564   8.974
   17    H    GLU   3           H        GLU   3  -2.334  13.748   7.664
   18    HA   GLU   3           HA       GLU   3  -3.877  13.051  10.129
   19    HB2  GLU   3           2HB      GLU   3  -3.660  15.511   8.706
   20    HB3  GLU   3           1HB      GLU   3  -5.298  14.900   8.463
   21    HG2  GLU   3           2HG      GLU   3  -5.726  14.806  10.798
   22    HG3  GLU   3           1HG      GLU   3  -4.016  14.974  11.197
   23    H    CYS   4           H        CYS   4  -3.495  12.444   6.783
   24    HA   CYS   4           HA       CYS   4  -6.042  10.892   6.849
   25    HB2  CYS   4           2HB      CYS   4  -6.429  12.853   5.443
   26    HB3  CYS   4           1HB      CYS   4  -4.965  12.509   4.520
   27    H    ASP   5           H        ASP   5  -5.845   8.803   6.111
   28    HA   ASP   5           HA       ASP   5  -3.146   8.000   5.110
   29    HB2  ASP   5           2HB      ASP   5  -4.028   7.022   7.301
   30    HB3  ASP   5           1HB      ASP   5  -5.239   6.184   6.329
   31    H    CYS   6           H        CYS   6  -6.517   8.146   4.344
   32    HA   CYS   6           HA       CYS   6  -6.005   6.506   1.891
   33    HB2  CYS   6           2HB      CYS   6  -8.434   6.036   1.869
   34    HB3  CYS   6           1HB      CYS   6  -7.692   5.482   3.369
   35    H    SER   7           H        SER   7  -6.123   7.633   0.006
   36    HA   SER   7           HA       SER   7  -6.813  10.460   0.047
   37    HB2  SER   7           2HB      SER   7  -6.242   8.634  -2.306
   38    HB3  SER   7           1HB      SER   7  -6.283  10.394  -2.352
   39    HG   SER   7           HG       SER   7  -4.655  10.084  -0.517
   40    H    SER   8           H        SER   8  -8.736   7.764   0.040
   41    HA   SER   8           HA       SER   8 -10.836   9.166  -1.563
   42    HB2  SER   8           2HB      SER   8 -11.431   6.376  -1.173
   43    HB3  SER   8           1HB      SER   8 -11.206   7.253  -2.684
   44    HG   SER   8           HG       SER   8  -9.657   5.580  -2.389
   45    HA   PRO   9           HA       PRO   9 -12.856   9.252   2.408
   46    HB2  PRO   9           2HB      PRO   9 -15.112  10.556   1.531
   47    HB3  PRO   9           1HB      PRO   9 -13.575  11.374   1.864
   48    HG2  PRO   9           2HG      PRO   9 -14.820  10.716  -0.764
   49    HG3  PRO   9           1HG      PRO   9 -13.682  12.009  -0.355
   50    HD2  PRO   9           2HD      PRO   9 -13.036   9.578  -1.657
   51    HD3  PRO   9           1HD      PRO   9 -11.878  10.730  -0.956
   52    H    GLU  10           H        GLU  10 -13.568   7.353  -0.207
   53    HA   GLU  10           HA       GLU  10 -16.117   6.322   0.953
   54    HB2  GLU  10           2HB      GLU  10 -15.298   6.792  -1.711
   55    HB3  GLU  10           1HB      GLU  10 -15.325   5.038  -1.517
   56    HG2  GLU  10           2HG      GLU  10 -17.571   5.044  -1.598
   57    HG3  GLU  10           1HG      GLU  10 -17.631   6.133  -0.212
   58    H    ASN  11           H        ASN  11 -13.360   5.870   2.000
   59    HA   ASN  11           HA       ASN  11 -13.113   2.934   1.552
   60    HB2  ASN  11           2HB      ASN  11 -11.171   4.757   1.317
   61    HB3  ASN  11           1HB      ASN  11 -11.047   4.478   3.053
   62   HD21  ASN  11          1HD2      ASN  11  -8.836   3.624   1.859
   63   HD22  ASN  11          2HD2      ASN  11  -8.823   1.949   1.591
   64    HA   PRO  12           HA       PRO  12 -14.857   2.709   5.666
   65    HB2  PRO  12           2HB      PRO  12 -15.026  -0.034   5.710
   66    HB3  PRO  12           1HB      PRO  12 -16.202   1.009   4.889
   67    HG2  PRO  12           2HG      PRO  12 -14.057  -0.694   3.708
   68    HG3  PRO  12           1HG      PRO  12 -15.588  -0.161   2.993
   69    HD2  PRO  12           2HD      PRO  12 -13.036   0.947   2.465
   70    HD3  PRO  12           1HD      PRO  12 -14.600   1.667   2.025
   71    H    CYS  13           H        CYS  13 -11.771   1.913   4.669
   72    HA   CYS  13           HA       CYS  13 -11.018   0.559   7.194
   73    HB2  CYS  13           2HB      CYS  13 -10.146  -0.101   4.849
   74    HB3  CYS  13           1HB      CYS  13  -9.132   1.338   4.971
   75    H    CYS  14           H        CYS  14 -11.245   3.707   5.947
   76    HA   CYS  14           HA       CYS  14  -9.394   4.673   8.087
   77    HB2  CYS  14           2HB      CYS  14  -8.747   6.540   6.627
   78    HB3  CYS  14           1HB      CYS  14  -8.368   4.999   5.858
   79    H    ASP  15           H        ASP  15 -10.390   6.003   9.509
   80    HA   ASP  15           HA       ASP  15 -13.158   6.667   9.326
   81    HB2  ASP  15           2HB      ASP  15 -11.483   6.654  11.376
   82    HB3  ASP  15           1HB      ASP  15 -11.275   8.349  10.943
   83    H    ALA  16           H        ALA  16 -14.180   8.402   8.403
   84    HA   ALA  16           HA       ALA  16 -12.659  10.143   6.632
   85    HB1  ALA  16           1HB      ALA  16 -15.390   9.358   6.957
   86    HB2  ALA  16           2HB      ALA  16 -14.667  10.256   5.623
   87    HB3  ALA  16           3HB      ALA  16 -15.316  11.119   7.017
   88    H    ALA  17           H        ALA  17 -14.163  10.429   9.812
   89    HA   ALA  17           HA       ALA  17 -14.223  13.206  10.152
   90    HB1  ALA  17           1HB      ALA  17 -13.373  11.085  12.148
   91    HB2  ALA  17           2HB      ALA  17 -15.009  11.692  11.898
   92    HB3  ALA  17           3HB      ALA  17 -13.769  12.749  12.571
   93    H    THR  18           H        THR  18 -11.450  11.015  10.273
   94    HA   THR  18           HA       THR  18  -9.681  13.421  10.449
   95    HB   THR  18           HB       THR  18  -9.423  11.979  12.414
   96    HG1  THR  18           1HG      THR  18  -7.561  12.898  11.190
   97   HG21  THR  18          3HG2      THR  18  -9.889   9.921  10.529
   98   HG22  THR  18          1HG2      THR  18  -9.623   9.746  12.263
   99   HG23  THR  18          2HG2      THR  18  -8.258   9.669  11.149
  100    H    CYS  19           H        CYS  19 -10.532  10.549   8.702
  101    HA   CYS  19           HA       CYS  19  -9.982  10.037   6.450
  102    HB2  CYS  19           2HB      CYS  19  -9.270  12.569   6.405
  103    HB3  CYS  19           1HB      CYS  19  -7.639  11.915   6.538
  104    H    LYS  20           H        LYS  20  -8.689   9.096   9.090
  105    HA   LYS  20           HA       LYS  20  -6.304   7.814   7.798
  106    HB2  LYS  20           2HB      LYS  20  -6.677   8.444  10.742
  107    HB3  LYS  20           1HB      LYS  20  -5.256   7.701  10.006
  108    HG2  LYS  20           2HG      LYS  20  -5.745  10.060   8.531
  109    HG3  LYS  20           1HG      LYS  20  -5.917  10.505  10.230
  110    HD2  LYS  20           2HD      LYS  20  -3.538   9.193   8.898
  111    HD3  LYS  20           1HD      LYS  20  -3.594  10.763   9.699
  112    HE2  LYS  20           2HE      LYS  20  -4.524   8.806  11.557
  113    HE3  LYS  20           1HE      LYS  20  -3.018   8.213  10.857
  114    HZ1  LYS  20           3HZ      LYS  20  -1.926  10.236  11.444
  115    HZ2  LYS  20           1HZ      LYS  20  -2.705   9.645  12.830
  116    HZ3  LYS  20           2HZ      LYS  20  -3.381  10.943  11.965
  117    H    LEU  21           H        LEU  21  -5.731   5.727   9.209
  118    HA   LEU  21           HA       LEU  21  -7.906   3.889   8.851
  119    HB2  LEU  21           2HB      LEU  21  -5.246   3.665  10.270
  120    HB3  LEU  21           1HB      LEU  21  -6.371   2.312  10.130
  121    HG   LEU  21           HG       LEU  21  -5.943   3.696   7.587
  122   HD11  LEU  21          1HD1      LEU  21  -3.684   3.939   8.719
  123   HD12  LEU  21          2HD1      LEU  21  -3.670   3.025   7.212
  124   HD13  LEU  21          3HD1      LEU  21  -3.599   2.177   8.756
  125   HD21  LEU  21          3HD2      LEU  21  -6.399   1.612   6.830
  126   HD22  LEU  21          1HD2      LEU  21  -6.749   1.203   8.509
  127   HD23  LEU  21          2HD2      LEU  21  -5.147   0.889   7.841
  128    H    ARG  22           H        ARG  22  -9.552   3.400  10.240
  129    HA   ARG  22           HA       ARG  22  -9.555   4.699  12.885
  130    HB2  ARG  22           2HB      ARG  22 -11.675   4.979  12.115
  131    HB3  ARG  22           1HB      ARG  22 -11.587   3.586  11.049
  132    HG2  ARG  22           2HG      ARG  22 -13.255   3.274  12.870
  133    HG3  ARG  22           1HG      ARG  22 -11.959   2.080  12.953
  134    HD2  ARG  22           2HD      ARG  22 -11.272   2.829  14.970
  135    HD3  ARG  22           1HD      ARG  22 -11.300   4.508  14.430
  136    HE   ARG  22           HE       ARG  22 -13.722   4.546  14.988
  137   HH11  ARG  22          1HH1      ARG  22 -11.754   3.431  17.261
  138   HH12  ARG  22          2HH1      ARG  22 -12.846   2.319  18.016
  139   HH21  ARG  22          1HH2      ARG  22 -15.172   2.449  15.448
  140   HH22  ARG  22          2HH2      ARG  22 -14.780   1.764  16.990
  141    HA   PRO  23           HA       PRO  23  -9.993   0.196  14.350
  142    HB2  PRO  23           2HB      PRO  23  -9.918  -1.810  12.471
  143    HB3  PRO  23           1HB      PRO  23 -11.411  -1.014  12.998
  144    HG2  PRO  23           2HG      PRO  23  -9.904  -0.675  10.447
  145    HG3  PRO  23           1HG      PRO  23 -11.631  -0.450  10.768
  146    HD2  PRO  23           2HD      PRO  23  -9.720   1.612  10.530
  147    HD3  PRO  23           1HD      PRO  23 -11.355   1.781  11.200
  148    H    GLY  24           H        GLY  24  -8.471  -1.919  14.305
  149    HA2  GLY  24           2HA      GLY  24  -5.755  -0.952  14.286
  150    HA3  GLY  24           1HA      GLY  24  -6.241  -2.629  14.535
  151    H    ALA  25           H        ALA  25  -6.351  -0.273  11.835
  152    HA   ALA  25           HA       ALA  25  -5.377  -2.469  10.061
  153    HB1  ALA  25           1HB      ALA  25  -7.377  -1.892   9.067
  154    HB2  ALA  25           2HB      ALA  25  -6.339  -0.693   8.298
  155    HB3  ALA  25           3HB      ALA  25  -7.330  -0.241   9.685
  156    H    GLN  26           H        GLN  26  -3.288  -2.207   9.425
  157    HA   GLN  26           HA       GLN  26  -1.878   0.287   9.920
  158    HB2  GLN  26           2HB      GLN  26  -1.207  -2.449   9.309
  159    HB3  GLN  26           1HB      GLN  26  -0.334  -1.372   8.218
  160    HG2  GLN  26           2HG      GLN  26   1.120  -1.021   9.907
  161    HG3  GLN  26           1HG      GLN  26  -0.164  -0.116  10.708
  162   HE21  GLN  26          1HE2      GLN  26   1.930  -1.883  11.956
  163   HE22  GLN  26          2HE2      GLN  26   1.066  -3.061  12.821
  164    H    CYS  27           H        CYS  27  -3.978  -0.563   7.497
  165    HA   CYS  27           HA       CYS  27  -3.181   1.651   5.818
  166    HB2  CYS  27           2HB      CYS  27  -2.573   0.332   3.818
  167    HB3  CYS  27           1HB      CYS  27  -1.441   0.054   5.143
  168    H    GLY  28           H        GLY  28  -4.812   2.175   4.339
  169    HA2  GLY  28           2HA      GLY  28  -7.274   0.513   4.552
  170    HA3  GLY  28           1HA      GLY  28  -7.249   2.224   4.141
  171    H    GLU  29           H        GLU  29  -4.940   1.820   2.305
  172    HA   GLU  29           HA       GLU  29  -6.089   0.073   0.215
  173    HB2  GLU  29           2HB      GLU  29  -6.431   1.761  -1.369
  174    HB3  GLU  29           1HB      GLU  29  -7.023   2.505   0.109
  175    HG2  GLU  29           2HG      GLU  29  -5.624   4.214  -0.412
  176    HG3  GLU  29           1HG      GLU  29  -4.349   3.151   0.183
  177    H    GLY  30           H        GLY  30  -4.524   0.256  -1.814
  178    HA2  GLY  30           2HA      GLY  30  -2.095   0.963  -2.289
  179    HA3  GLY  30           1HA      GLY  30  -1.740   0.238  -0.721
  180    H    LEU  31           H        LEU  31  -0.440  -0.735  -2.973
  181    HA   LEU  31           HA       LEU  31  -1.879  -3.050  -4.035
  182    HB2  LEU  31           2HB      LEU  31   1.080  -2.407  -4.208
  183    HB3  LEU  31           1HB      LEU  31   0.183  -3.533  -5.227
  184    HG   LEU  31           HG       LEU  31  -0.171  -0.527  -5.088
  185   HD11  LEU  31          1HD1      LEU  31   0.161  -1.506  -7.725
  186   HD12  LEU  31          2HD1      LEU  31   1.385  -2.308  -6.738
  187   HD13  LEU  31          3HD1      LEU  31   1.306  -0.547  -6.786
  188   HD21  LEU  31          3HD2      LEU  31  -2.334  -0.986  -5.609
  189   HD22  LEU  31          1HD2      LEU  31  -1.981  -2.682  -5.940
  190   HD23  LEU  31          2HD2      LEU  31  -1.705  -1.464  -7.186
  191    H    CYS  32           H        CYS  32   0.578  -2.443  -1.555
  192    HA   CYS  32           HA       CYS  32   0.777  -5.339  -0.980
  193    HB2  CYS  32           2HB      CYS  32   2.074  -3.018   0.478
  194    HB3  CYS  32           1HB      CYS  32   2.509  -4.720   0.605
  195    H    CYS  33           H        CYS  33  -1.294  -2.840  -0.144
  196    HA   CYS  33           HA       CYS  33  -1.620  -3.544   2.668
  197    HB2  CYS  33           2HB      CYS  33  -2.151  -1.272   1.895
  198    HB3  CYS  33           1HB      CYS  33  -3.416  -1.911   0.849
  199    H    GLU  34           H        GLU  34  -2.245  -5.654   2.948
  200    HA   GLU  34           HA       GLU  34  -4.701  -6.556   1.494
  201    HB2  GLU  34           2HB      GLU  34  -2.335  -8.066   2.616
  202    HB3  GLU  34           1HB      GLU  34  -3.865  -8.876   2.285
  203    HG2  GLU  34           2HG      GLU  34  -2.869  -7.142   0.105
  204    HG3  GLU  34           1HG      GLU  34  -1.889  -8.572   0.434
  205    H    GLN  35           H        GLN  35  -6.501  -6.912   2.763
  206    HA   GLN  35           HA       GLN  35  -7.816  -7.049   4.709
  207    HB2  GLN  35           2HB      GLN  35  -5.621  -8.790   5.091
  208    HB3  GLN  35           1HB      GLN  35  -5.774  -7.873   6.589
  209    HG2  GLN  35           2HG      GLN  35  -8.326  -8.394   6.351
  210    HG3  GLN  35           1HG      GLN  35  -7.785  -9.680   5.271
  211   HE21  GLN  35          1HE2      GLN  35  -8.021 -11.538   6.574
  212   HE22  GLN  35          2HE2      GLN  35  -7.295 -11.728   8.096
  213    H    CYS  36           H        CYS  36  -6.145  -4.681   4.026
  214    HA   CYS  36           HA       CYS  36  -5.692  -2.582   4.952
  215    HB2  CYS  36           2HB      CYS  36  -7.418  -3.820   7.088
  216    HB3  CYS  36           1HB      CYS  36  -6.627  -2.273   7.357
  217    H    LYS  37           H        LYS  37  -3.772  -4.758   5.202
  218    HA   LYS  37           HA       LYS  37  -2.335  -3.764   7.623
  219    HB2  LYS  37           2HB      LYS  37  -3.095  -6.527   6.924
  220    HB3  LYS  37           1HB      LYS  37  -1.395  -6.330   7.352
  221    HG2  LYS  37           2HG      LYS  37  -1.861  -5.804   9.525
  222    HG3  LYS  37           1HG      LYS  37  -3.321  -4.909   9.098
  223    HD2  LYS  37           2HD      LYS  37  -4.067  -7.443   8.421
  224    HD3  LYS  37           1HD      LYS  37  -2.996  -7.767   9.784
  225    HE2  LYS  37           2HE      LYS  37  -4.291  -6.453  11.266
  226    HE3  LYS  37           1HE      LYS  37  -5.138  -5.648   9.945
  227    HZ1  LYS  37           3HZ      LYS  37  -6.229  -7.615  11.266
  228    HZ2  LYS  37           1HZ      LYS  37  -5.360  -8.558  10.156
  229    HZ3  LYS  37           2HZ      LYS  37  -6.494  -7.421   9.600
  230    H    PHE  38           H        PHE  38   0.020  -3.897   7.419
  231    HA   PHE  38           HA       PHE  38   0.901  -3.297   4.704
  232    HB2  PHE  38           2HB      PHE  38   2.268  -3.439   7.389
  233    HB3  PHE  38           1HB      PHE  38   3.193  -3.216   5.905
  234    HD1  PHE  38           1HD      PHE  38   1.346  -1.538   4.304
  235    HD2  PHE  38           2HD      PHE  38   2.372  -1.348   8.471
  236    HE1  PHE  38           1HE      PHE  38   0.795   0.879   4.330
  237    HE2  PHE  38           2HE      PHE  38   1.821   1.069   8.496
  238    HZ   PHE  38           HZ       PHE  38   1.033   2.183   6.426
  239    H    SER  39           H        SER  39   1.574  -4.814   3.269
  240    HA   SER  39           HA       SER  39   1.768  -7.593   3.898
  241    HB2  SER  39           2HB      SER  39   2.092  -7.858   1.653
  242    HB3  SER  39           1HB      SER  39   1.679  -6.150   1.577
  243    HG   SER  39           HG       SER  39   4.104  -7.423   1.251
  244    H    ARG  40           H        ARG  40   3.857  -8.884   3.571
  245    HA   ARG  40           HA       ARG  40   5.901  -7.776   5.341
  246    HB2  ARG  40           2HB      ARG  40   5.153 -10.383   4.357
  247    HB3  ARG  40           1HB      ARG  40   6.876 -10.121   4.078
  248    HG2  ARG  40           2HG      ARG  40   6.417 -11.108   6.322
  249    HG3  ARG  40           1HG      ARG  40   7.205  -9.532   6.425
  250    HD2  ARG  40           2HD      ARG  40   5.510  -9.047   7.869
  251    HD3  ARG  40           1HD      ARG  40   4.579  -8.790   6.394
  252    HE   ARG  40           HE       ARG  40   4.580 -11.559   7.378
  253   HH11  ARG  40          1HH1      ARG  40   3.292  -8.510   8.166
  254   HH12  ARG  40          2HH1      ARG  40   1.651  -9.059   8.271
  255   HH21  ARG  40          1HH2      ARG  40   2.371 -12.261   7.153
  256   HH22  ARG  40          2HH2      ARG  40   1.131 -11.182   7.698
  257    H    ALA  41           H        ALA  41   8.218  -7.676   4.645
  258    HA   ALA  41           HA       ALA  41   8.456  -6.208   2.162
  259    HB1  ALA  41           1HB      ALA  41   9.874  -5.889   4.259
  260    HB2  ALA  41           2HB      ALA  41  10.766  -5.946   2.739
  261    HB3  ALA  41           3HB      ALA  41  10.730  -7.359   3.795
  262    H    GLY  42           H        GLY  42   9.798  -6.881   0.302
  263    HA2  GLY  42           2HA      GLY  42  10.720  -8.538  -1.142
  264    HA3  GLY  42           1HA      GLY  42  10.458  -9.741   0.118
  265    H    LYS  43           H        LYS  43   7.847  -7.593  -0.616
  266    HA   LYS  43           HA       LYS  43   6.378  -9.912  -1.802
  267    HB2  LYS  43           2HB      LYS  43   5.138  -9.092   0.021
  268    HB3  LYS  43           1HB      LYS  43   5.511  -7.416  -0.357
  269    HG2  LYS  43           2HG      LYS  43   3.250  -7.676  -1.040
  270    HG3  LYS  43           1HG      LYS  43   4.153  -7.798  -2.535
  271    HD2  LYS  43           2HD      LYS  43   3.976 -10.177  -2.573
  272    HD3  LYS  43           1HD      LYS  43   3.404 -10.227  -0.904
  273    HE2  LYS  43           2HE      LYS  43   1.496 -10.524  -2.378
  274    HE3  LYS  43           1HE      LYS  43   1.376  -8.937  -1.619
  275    HZ1  LYS  43           3HZ      LYS  43   2.871  -8.944  -4.080
  276    HZ2  LYS  43           1HZ      LYS  43   1.632  -7.906  -3.567
  277    HZ3  LYS  43           2HZ      LYS  43   1.245  -9.402  -4.274
  278    H    ILE  44           H        ILE  44   6.033  -9.918  -3.954
  279    HA   ILE  44           HA       ILE  44   6.801  -7.754  -5.660
  280    HB   ILE  44           HB       ILE  44   5.579 -10.411  -5.950
  281   HG12  ILE  44          2HG1      ILE  44   7.891  -9.866  -6.569
  282   HG13  ILE  44          1HG1      ILE  44   6.986 -10.386  -7.992
  283   HG21  ILE  44          1HG2      ILE  44   3.705  -9.510  -7.015
  284   HG22  ILE  44          2HG2      ILE  44   4.816  -9.716  -8.369
  285   HG23  ILE  44          3HG2      ILE  44   4.601  -8.125  -7.639
  286   HD11  ILE  44          3HD1      ILE  44   7.220  -8.377  -8.997
  287   HD12  ILE  44          1HD1      ILE  44   8.428  -8.018  -7.762
  288   HD13  ILE  44          2HD1      ILE  44   6.754  -7.512  -7.533
  289    H    CYS  45           H        CYS  45   5.775  -5.815  -5.624
  290    HA   CYS  45           HA       CYS  45   2.916  -5.667  -4.878
  291    HB2  CYS  45           2HB      CYS  45   4.292  -3.196  -5.766
  292    HB3  CYS  45           1HB      CYS  45   3.302  -3.470  -4.337
  293    H    ARG  46           H        ARG  46   4.957  -5.572  -7.644
  294    HA   ARG  46           HA       ARG  46   2.641  -5.577  -9.424
  295    HB2  ARG  46           2HB      ARG  46   3.249  -3.102  -8.840
  296    HB3  ARG  46           1HB      ARG  46   4.623  -3.367  -9.916
  297    HG2  ARG  46           2HG      ARG  46   3.247  -3.741 -11.784
  298    HG3  ARG  46           1HG      ARG  46   1.833  -4.091 -10.789
  299    HD2  ARG  46           2HD      ARG  46   1.251  -1.914 -10.702
  300    HD3  ARG  46           1HD      ARG  46   2.886  -1.430 -10.256
  301    HE   ARG  46           HE       ARG  46   2.698  -2.116 -13.068
  302   HH11  ARG  46          1HH1      ARG  46   3.699   0.263 -11.050
  303   HH12  ARG  46          2HH1      ARG  46   3.121   1.599 -11.989
  304   HH21  ARG  46          1HH2      ARG  46   1.255  -0.378 -14.143
  305   HH22  ARG  46          2HH2      ARG  46   1.738   1.236 -13.740
  306    H    ILE  47           H        ILE  47   3.253  -7.260 -10.703
  307    HA   ILE  47           HA       ILE  47   6.010  -7.962 -11.186
  308    HB   ILE  47           HB       ILE  47   4.054  -9.555 -11.282
  309   HG12  ILE  47          2HG1      ILE  47   4.890 -10.683 -13.433
  310   HG13  ILE  47          1HG1      ILE  47   5.966  -9.295 -13.611
  311   HG21  ILE  47          1HG2      ILE  47   3.418  -9.110 -14.052
  312   HG22  ILE  47          2HG2      ILE  47   3.127  -7.625 -13.146
  313   HG23  ILE  47          3HG2      ILE  47   2.331  -9.122 -12.663
  314   HD11  ILE  47          3HD1      ILE  47   6.733 -11.482 -12.287
  315   HD12  ILE  47          1HD1      ILE  47   5.898 -10.674 -10.961
  316   HD13  ILE  47          2HD1      ILE  47   7.243  -9.873 -11.774
  317    H    ALA  48           H        ALA  48   7.238  -7.654 -13.113
  318    HA   ALA  48           HA       ALA  48   6.138  -5.555 -14.941
  319    HB1  ALA  48           1HB      ALA  48   8.173  -4.461 -14.967
  320    HB2  ALA  48           2HB      ALA  48   9.088  -5.934 -14.646
  321    HB3  ALA  48           3HB      ALA  48   8.227  -5.127 -13.335
  322    H    ARG  49           H        ARG  49   6.943  -5.678 -17.175
  323    HA   ARG  49           HA       ARG  49   7.922  -8.388 -17.951
  324    HB2  ARG  49           2HB      ARG  49   6.340  -7.771 -20.067
  325    HB3  ARG  49           1HB      ARG  49   5.795  -8.753 -18.708
  326    HG2  ARG  49           2HG      ARG  49   5.571  -5.794 -18.418
  327    HG3  ARG  49           1HG      ARG  49   4.451  -6.577 -19.532
  328    HD2  ARG  49           2HD      ARG  49   4.095  -8.275 -17.570
  329    HD3  ARG  49           1HD      ARG  49   4.757  -6.981 -16.569
  330    HE   ARG  49           HE       ARG  49   2.809  -5.692 -18.026
  331   HH11  ARG  49          1HH2      ARG  49   2.743  -6.663 -15.052
  332   HH12  ARG  49          2HH2      ARG  49   1.183  -7.414 -15.024
  333   HH21  ARG  49          1HH1      ARG  49   0.864  -7.488 -18.477
  334   HH22  ARG  49          2HH1      ARG  49   0.118  -7.881 -16.963
  335    H    GLY  50           H        GLY  50   9.568  -8.299 -19.431
  336    HA2  GLY  50           2HA      GLY  50  10.244  -7.062 -21.599
  337    HA3  GLY  50           1HA      GLY  50  10.173  -5.615 -20.596
  338    H    ASP  51           H        ASP  51  11.909  -5.150 -19.270
  339    HA   ASP  51           HA       ASP  51  13.911  -7.172 -18.611
  340    HB2  ASP  51           2HB      ASP  51  14.208  -5.610 -21.011
  341    HB3  ASP  51           1HB      ASP  51  15.465  -5.156 -19.860
  342    H    TRP  52           H        TRP  52  12.407  -5.647 -16.894
  343    HA   TRP  52           HA       TRP  52  14.457  -3.767 -15.813
  344    HB2  TRP  52           2HB      TRP  52  12.175  -2.670 -14.835
  345    HB3  TRP  52           1HB      TRP  52  12.961  -2.121 -16.311
  346    HD1  TRP  52           HD       TRP  52  10.551  -5.077 -15.544
  347    HE1  TRP  52           1HE      TRP  52   8.685  -5.045 -17.319
  348    HE3  TRP  52           3HE      TRP  52  11.966  -0.983 -18.248
  349    HZ2  TRP  52           2HZ      TRP  52   7.890  -3.489 -19.583
  350    HZ3  TRP  52           3HZ      TRP  52  10.636  -0.247 -20.207
  351    HH2  TRP  52           HH       TRP  52   8.602  -1.498 -20.877
  352    H    ASN  53           H        ASN  53  13.479  -3.189 -13.387
  353    HA   ASN  53           HA       ASN  53  13.563  -5.803 -12.035
  354    HB2  ASN  53           2HB      ASN  53  14.483  -3.228 -11.420
  355    HB3  ASN  53           1HB      ASN  53  13.160  -3.513 -10.287
  356   HD21  ASN  53          1HD2      ASN  53  13.336  -5.432  -8.858
  357   HD22  ASN  53          2HD2      ASN  53  14.850  -6.137  -8.557
  358    H    ASP  54           H        ASP  54  11.987  -6.269 -10.265
  359    HA   ASP  54           HA       ASP  54   9.253  -5.433 -11.103
  360    HB2  ASP  54           2HB      ASP  54   9.937  -7.660  -9.178
  361    HB3  ASP  54           1HB      ASP  54   8.457  -7.443 -10.112
  362    H    ASP  55           H        ASP  55   7.663  -5.209  -9.222
  363    HA   ASP  55           HA       ASP  55   8.774  -3.303  -7.308
  364    HB2  ASP  55           2HB      ASP  55   6.239  -3.803  -8.427
  365    HB3  ASP  55           1HB      ASP  55   6.066  -4.133  -6.703
  366    H    ARG  56           H        ARG  56   8.659  -3.556  -4.985
  367    HA   ARG  56           HA       ARG  56   8.136  -6.265  -3.923
  368    HB2  ARG  56           2HB      ARG  56  10.573  -6.125  -4.690
  369    HB3  ARG  56           1HB      ARG  56  10.804  -4.944  -3.403
  370    HG2  ARG  56           2HG      ARG  56  11.125  -6.675  -2.004
  371    HG3  ARG  56           1HG      ARG  56   9.414  -7.059  -2.204
  372    HD2  ARG  56           2HD      ARG  56  10.331  -9.060  -2.904
  373    HD3  ARG  56           1HD      ARG  56  10.310  -8.199  -4.444
  374    HE   ARG  56           HE       ARG  56  12.765  -8.012  -2.788
  375   HH11  ARG  56          1HH1      ARG  56  11.793  -7.652  -5.870
  376   HH12  ARG  56          2HH1      ARG  56  12.886  -8.790  -6.588
  377   HH21  ARG  56          1HH2      ARG  56  13.868 -10.157  -3.556
  378   HH22  ARG  56          2HH2      ARG  56  14.061 -10.209  -5.276
  379    H    CYS  57           H        CYS  57   6.785  -5.760  -2.244
  380    HA   CYS  57           HA       CYS  57   6.650  -3.222  -0.981
  381    HB2  CYS  57           2HB      CYS  57   6.021  -5.809   0.457
  382    HB3  CYS  57           1HB      CYS  57   5.241  -4.238   0.646
  383    H    THR  58           H        THR  58   7.789  -2.346   0.723
  384    HA   THR  58           HA       THR  58  10.344  -3.580   1.377
  385    HB   THR  58           HB       THR  58  10.213  -1.433   3.025
  386    HG1  THR  58           1HG      THR  58   9.063   0.146   1.698
  387   HG21  THR  58          3HG2      THR  58  10.631  -0.697   0.198
  388   HG22  THR  58          1HG2      THR  58  11.537  -2.113   0.731
  389   HG23  THR  58          2HG2      THR  58  11.733  -0.572   1.569
  390    H    GLY  59           H        GLY  59   7.266  -3.969   2.628
  391    HA2  GLY  59           1HA      GLY  59   7.156  -5.676   4.467
  392    HA3  GLY  59           2HA      GLY  59   8.422  -4.757   5.273
  393    H    GLN  60           H        GLN  60   7.280  -2.149   4.606
  394    HA   GLN  60           HA       GLN  60   4.756  -2.243   6.199
  395    HB2  GLN  60           2HB      GLN  60   6.864  -0.103   6.534
  396    HB3  GLN  60           1HB      GLN  60   5.470  -0.422   7.565
  397    HG2  GLN  60           2HG      GLN  60   6.485  -2.711   8.026
  398    HG3  GLN  60           1HG      GLN  60   7.948  -2.125   7.233
  399   HE21  GLN  60          1HE2      GLN  60   9.122  -2.249   9.314
  400   HE22  GLN  60          2HE2      GLN  60   8.865  -1.079  10.517
  401    H    SER  61           H        SER  61   6.183  -1.335   3.325
  402    HA   SER  61           HA       SER  61   4.684   1.193   3.033
  403    HB2  SER  61           2HB      SER  61   6.231  -0.331   0.924
  404    HB3  SER  61           1HB      SER  61   5.714   1.351   0.852
  405    HG   SER  61           HG       SER  61   7.046   1.703   2.720
  406    H    ALA  62           H        ALA  62   2.513   0.980   2.714
  407    HA   ALA  62           HA       ALA  62   1.337  -1.389   1.512
  408    HB1  ALA  62           1HB      ALA  62  -0.756   0.127   1.501
  409    HB2  ALA  62           2HB      ALA  62   0.254   1.309   2.335
  410    HB3  ALA  62           3HB      ALA  62  -0.054  -0.263   3.072
  411    H    ASP  63           H        ASP  63   1.797   1.987   0.437
  412    HA   ASP  63           HA       ASP  63   0.918   1.267  -2.288
  413    HB2  ASP  63           2HB      ASP  63   2.159   3.913  -1.611
  414    HB3  ASP  63           1HB      ASP  63   0.833   3.553  -2.717
  415    H    CYS  64           H        CYS  64   2.602  -0.212  -2.864
  416    HA   CYS  64           HA       CYS  64   5.367   0.209  -2.577
  417    HB2  CYS  64           2HB      CYS  64   3.735  -1.664  -3.876
  418    HB3  CYS  64           1HB      CYS  64   4.783  -1.011  -5.137
  419    HA   PRO  65           HA       PRO  65   6.260   3.514  -5.246
  420    HB2  PRO  65           2HB      PRO  65   8.963   3.098  -5.318
  421    HB3  PRO  65           1HB      PRO  65   8.134   3.818  -3.940
  422    HG2  PRO  65           2HG      PRO  65   9.328   1.113  -4.225
  423    HG3  PRO  65           1HG      PRO  65   8.981   2.036  -2.753
  424    HD2  PRO  65           2HD      PRO  65   7.446  -0.101  -3.822
  425    HD3  PRO  65           1HD      PRO  65   6.995   0.963  -2.475
  426    H    ARG  66           H        ARG  66   7.596   3.882  -7.349
  427    HA   ARG  66           HA       ARG  66   7.684   1.389  -8.991
  428    HB2  ARG  66           2HB      ARG  66   6.659   2.587 -10.863
  429    HB3  ARG  66           1HB      ARG  66   5.591   2.659  -9.460
  430    HG2  ARG  66           2HG      ARG  66   7.057   4.886  -9.018
  431    HG3  ARG  66           1HG      ARG  66   7.130   4.832 -10.780
  432    HD2  ARG  66           2HD      ARG  66   4.590   4.496 -10.725
  433    HD3  ARG  66           1HD      ARG  66   4.671   4.957  -9.024
  434    HE   ARG  66           HE       ARG  66   4.645   7.148  -9.892
  435   HH11  ARG  66          1HH1      ARG  66   5.676   5.193 -12.423
  436   HH12  ARG  66          2HH1      ARG  66   6.695   6.384 -13.160
  437   HH21  ARG  66          1HH2      ARG  66   6.378   8.651 -10.555
  438   HH22  ARG  66          2HH2      ARG  66   7.093   8.342 -12.103
  439    H    TYR  67           H        TYR  67   9.258   1.433 -10.687
  440    HA   TYR  67           HA       TYR  67  11.213   3.690 -10.469
  441    HB2  TYR  67           2HB      TYR  67  12.006   0.918 -11.330
  442    HB3  TYR  67           1HB      TYR  67  13.003   2.185 -10.616
  443    HD1  TYR  67           2HD      TYR  67  12.246   2.970  -8.196
  444    HD2  TYR  67           1HD      TYR  67  11.272  -0.822  -9.961
  445    HE1  TYR  67           2HE      TYR  67  11.836   2.025  -5.940
  446    HE2  TYR  67           1HE      TYR  67  10.864  -1.768  -7.705
  447    HH   TYR  67           HH       TYR  67  11.313  -1.393  -5.448
  448    H    HIS  68           H        HIS  68  10.234   1.039 -12.677
  449    HA   HIS  68           HA       HIS  68  11.167   2.537 -15.003
  450    HB2  HIS  68           2HB      HIS  68  10.427   0.651 -16.292
  451    HB3  HIS  68           1HB      HIS  68  11.132   0.002 -14.812
  452    HD1  HIS  68           1HD      HIS  68   9.337  -0.597 -12.863
  453    HD2  HIS  68           2HD      HIS  68   7.778  -0.082 -16.695
  454    HE1  HIS  68           1HE      HIS  68   7.025  -1.633 -12.842
  Start of MODEL   20
    1    H    GLY   1           1HT      GLY   1  -0.996  13.602   2.005
    2    HA2  GLY   1           1HA      GLY   1   1.121  14.366   2.241
    3    HA3  GLY   1           2HA      GLY   1   0.617  15.650   3.339
    4    H    LYS   2           H        LYS   2   0.636  15.234   5.547
    5    HA   LYS   2           HA       LYS   2   1.518  12.489   6.340
    6    HB2  LYS   2           2HB      LYS   2   2.497  13.619   8.347
    7    HB3  LYS   2           1HB      LYS   2   3.209  14.172   6.830
    8    HG2  LYS   2           2HG      LYS   2   0.845  15.722   7.544
    9    HG3  LYS   2           1HG      LYS   2   2.082  15.794   8.800
   10    HD2  LYS   2           2HD      LYS   2   3.627  16.089   6.586
   11    HD3  LYS   2           1HD      LYS   2   2.136  16.853   6.033
   12    HE2  LYS   2           2HE      LYS   2   2.193  18.077   8.336
   13    HE3  LYS   2           1HE      LYS   2   3.894  17.613   8.355
   14    HZ1  LYS   2           3HZ      LYS   2   3.539  19.804   7.362
   15    HZ2  LYS   2           1HZ      LYS   2   2.561  19.108   6.164
   16    HZ3  LYS   2           2HZ      LYS   2   4.210  18.709   6.249
   17    H    GLU   3           H        GLU   3  -1.282  13.415   5.998
   18    HA   GLU   3           HA       GLU   3  -2.220  12.670   8.711
   19    HB2  GLU   3           2HB      GLU   3  -3.869  14.488   8.760
   20    HB3  GLU   3           1HB      GLU   3  -2.240  15.156   8.647
   21    HG2  GLU   3           2HG      GLU   3  -2.803  14.903   6.015
   22    HG3  GLU   3           1HG      GLU   3  -4.431  15.165   6.641
   23    H    CYS   4           H        CYS   4  -2.115  11.301   6.121
   24    HA   CYS   4           HA       CYS   4  -4.915  10.460   6.042
   25    HB2  CYS   4           2HB      CYS   4  -4.972  12.350   4.469
   26    HB3  CYS   4           1HB      CYS   4  -3.617  11.657   3.576
   27    H    ASP   5           H        ASP   5  -4.892   8.282   5.781
   28    HA   ASP   5           HA       ASP   5  -2.418   7.052   4.653
   29    HB2  ASP   5           2HB      ASP   5  -3.347   6.530   7.049
   30    HB3  ASP   5           1HB      ASP   5  -4.509   5.525   6.183
   31    H    CYS   6           H        CYS   6  -5.665   7.699   3.936
   32    HA   CYS   6           HA       CYS   6  -5.512   5.883   1.601
   33    HB2  CYS   6           2HB      CYS   6  -8.001   5.947   3.315
   34    HB3  CYS   6           1HB      CYS   6  -7.618   4.839   1.999
   35    H    SER   7           H        SER   7  -6.196   6.978  -0.184
   36    HA   SER   7           HA       SER   7  -7.328   9.659   0.138
   37    HB2  SER   7           2HB      SER   7  -5.850   8.287  -1.856
   38    HB3  SER   7           1HB      SER   7  -7.390   8.731  -2.585
   39    HG   SER   7           HG       SER   7  -5.398  10.357  -1.439
   40    H    SER   8           H        SER   8  -8.726   6.749   0.424
   41    HA   SER   8           HA       SER   8 -11.105   7.309  -1.246
   42    HB2  SER   8           2HB      SER   8 -10.166   4.968   0.393
   43    HB3  SER   8           1HB      SER   8 -11.857   5.092  -0.081
   44    HG   SER   8           HG       SER   8 -10.814   4.004  -1.696
   45    HA   PRO   9           HA       PRO   9 -12.755   9.269   2.455
   46    HB2  PRO   9           2HB      PRO   9 -14.842  10.483   1.135
   47    HB3  PRO   9           1HB      PRO   9 -13.198  11.146   1.190
   48    HG2  PRO   9           2HG      PRO   9 -14.600   9.785  -1.064
   49    HG3  PRO   9           1HG      PRO   9 -13.290  10.976  -1.112
   50    HD2  PRO   9           2HD      PRO   9 -13.000   8.187  -1.474
   51    HD3  PRO   9           1HD      PRO   9 -11.683   9.342  -1.180
   52    H    GLU  10           H        GLU  10 -14.059   6.917   0.350
   53    HA   GLU  10           HA       GLU  10 -16.461   6.544   2.081
   54    HB2  GLU  10           2HB      GLU  10 -15.886   6.101  -0.767
   55    HB3  GLU  10           1HB      GLU  10 -16.681   4.730   0.006
   56    HG2  GLU  10           2HG      GLU  10 -18.471   6.099  -0.717
   57    HG3  GLU  10           1HG      GLU  10 -18.306   6.472   1.000
   58    H    ASN  11           H        ASN  11 -13.417   5.682   2.250
   59    HA   ASN  11           HA       ASN  11 -13.741   2.762   2.494
   60    HB2  ASN  11           2HB      ASN  11 -11.634   4.267   1.716
   61    HB3  ASN  11           1HB      ASN  11 -11.261   4.103   3.430
   62   HD21  ASN  11          1HD2      ASN  11  -9.388   2.786   2.261
   63   HD22  ASN  11          2HD2      ASN  11  -9.684   1.127   2.059
   64    HA   PRO  12           HA       PRO  12 -14.726   3.327   6.810
   65    HB2  PRO  12           2HB      PRO  12 -15.024   0.651   7.361
   66    HB3  PRO  12           1HB      PRO  12 -16.266   1.629   6.561
   67    HG2  PRO  12           2HG      PRO  12 -14.434  -0.406   5.384
   68    HG3  PRO  12           1HG      PRO  12 -16.032   0.118   4.830
   69    HD2  PRO  12           2HD      PRO  12 -13.552   0.921   3.729
   70    HD3  PRO  12           1HD      PRO  12 -15.128   1.675   3.411
   71    H    CYS  13           H        CYS  13 -12.170   1.306   5.522
   72    HA   CYS  13           HA       CYS  13 -10.936   0.709   8.079
   73    HB2  CYS  13           2HB      CYS  13 -10.349   0.255   5.223
   74    HB3  CYS  13           1HB      CYS  13  -8.921   0.442   6.240
   75    H    CYS  14           H        CYS  14 -11.129   3.519   6.197
   76    HA   CYS  14           HA       CYS  14  -8.813   4.664   7.692
   77    HB2  CYS  14           2HB      CYS  14  -9.202   4.496   4.817
   78    HB3  CYS  14           1HB      CYS  14  -9.060   6.174   5.345
   79    H    ASP  15           H        ASP  15  -9.637   6.121   9.083
   80    HA   ASP  15           HA       ASP  15 -12.249   7.192   9.012
   81    HB2  ASP  15           2HB      ASP  15 -10.519   7.218  10.931
   82    HB3  ASP  15           1HB      ASP  15  -9.903   8.689  10.179
   83    H    ALA  16           H        ALA  16 -13.152   8.823   7.835
   84    HA   ALA  16           HA       ALA  16 -11.563  10.126   5.764
   85    HB1  ALA  16           1HB      ALA  16 -13.625  10.993   4.964
   86    HB2  ALA  16           2HB      ALA  16 -14.391  10.848   6.546
   87    HB3  ALA  16           3HB      ALA  16 -14.032   9.401   5.604
   88    H    ALA  17           H        ALA  17 -13.160  11.129   8.783
   89    HA   ALA  17           HA       ALA  17 -12.751  13.904   8.638
   90    HB1  ALA  17           1HB      ALA  17 -13.359  13.903  10.833
   91    HB2  ALA  17           2HB      ALA  17 -12.132  12.714  11.269
   92    HB3  ALA  17           3HB      ALA  17 -13.661  12.185  10.569
   93    H    THR  18           H        THR  18 -10.460  11.333   9.429
   94    HA   THR  18           HA       THR  18  -8.307  13.403   9.599
   95    HB   THR  18           HB       THR  18  -7.006  11.718  10.840
   96    HG1  THR  18           1HG      THR  18  -8.361   9.832  11.497
   97   HG21  THR  18          3HG2      THR  18  -8.419  11.632  12.868
   98   HG22  THR  18          1HG2      THR  18  -9.822  12.085  11.901
   99   HG23  THR  18          2HG2      THR  18  -8.487  13.219  12.102
  100    H    CYS  19           H        CYS  19  -9.614  10.929   7.676
  101    HA   CYS  19           HA       CYS  19  -8.883  10.035   5.629
  102    HB2  CYS  19           2HB      CYS  19  -7.867  12.507   5.597
  103    HB3  CYS  19           1HB      CYS  19  -6.350  11.618   5.727
  104    H    LYS  20           H        LYS  20  -7.726   9.296   8.478
  105    HA   LYS  20           HA       LYS  20  -5.529   7.584   7.374
  106    HB2  LYS  20           2HB      LYS  20  -5.740   8.730  10.174
  107    HB3  LYS  20           1HB      LYS  20  -4.453   7.677   9.583
  108    HG2  LYS  20           2HG      LYS  20  -4.890   9.995   7.847
  109    HG3  LYS  20           1HG      LYS  20  -4.432  10.452   9.488
  110    HD2  LYS  20           2HD      LYS  20  -2.922   8.229   8.180
  111    HD3  LYS  20           1HD      LYS  20  -2.585   9.880   7.657
  112    HE2  LYS  20           2HE      LYS  20  -1.497  10.371   9.579
  113    HE3  LYS  20           1HE      LYS  20  -2.760   9.640  10.569
  114    HZ1  LYS  20           3HZ      LYS  20  -0.248   8.604   9.966
  115    HZ2  LYS  20           1HZ      LYS  20  -1.383   7.621   9.178
  116    HZ3  LYS  20           2HZ      LYS  20  -1.495   7.867  10.855
  117    H    LEU  21           H        LEU  21  -5.214   5.541   8.651
  118    HA   LEU  21           HA       LEU  21  -7.473   3.921   8.702
  119    HB2  LEU  21           2HB      LEU  21  -4.896   3.764  10.262
  120    HB3  LEU  21           1HB      LEU  21  -6.132   2.512  10.385
  121    HG   LEU  21           HG       LEU  21  -5.534   3.273   7.616
  122   HD11  LEU  21          1HD1      LEU  21  -3.290   3.472   8.911
  123   HD12  LEU  21          2HD1      LEU  21  -3.325   2.462   7.465
  124   HD13  LEU  21          3HD1      LEU  21  -3.395   1.718   9.063
  125   HD21  LEU  21          3HD2      LEU  21  -6.162   0.910   9.262
  126   HD22  LEU  21          1HD2      LEU  21  -5.051   0.584   7.932
  127   HD23  LEU  21          2HD2      LEU  21  -6.637   1.283   7.605
  128    H    ARG  22           H        ARG  22  -9.284   4.003   9.922
  129    HA   ARG  22           HA       ARG  22  -9.352   5.587  12.379
  130    HB2  ARG  22           2HB      ARG  22 -11.233   5.131  10.525
  131    HB3  ARG  22           1HB      ARG  22 -11.637   3.823  11.637
  132    HG2  ARG  22           2HG      ARG  22 -11.247   6.677  12.559
  133    HG3  ARG  22           1HG      ARG  22 -12.819   6.036  12.076
  134    HD2  ARG  22           2HD      ARG  22 -12.091   4.082  13.765
  135    HD3  ARG  22           1HD      ARG  22 -11.169   5.405  14.478
  136    HE   ARG  22           HE       ARG  22 -14.060   5.843  13.951
  137   HH11  ARG  22          1HH2      ARG  22 -12.112   7.535  15.658
  138   HH12  ARG  22          2HH2      ARG  22 -12.656   7.123  17.250
  139   HH21  ARG  22          1HH1      ARG  22 -14.473   4.362  16.204
  140   HH22  ARG  22          2HH1      ARG  22 -13.993   5.327  17.559
  141    HA   PRO  23           HA       PRO  23 -10.039   1.260  14.284
  142    HB2  PRO  23           2HB      PRO  23  -9.622  -0.923  12.669
  143    HB3  PRO  23           1HB      PRO  23 -11.194  -0.125  12.849
  144    HG2  PRO  23           2HG      PRO  23  -9.299  -0.037  10.555
  145    HG3  PRO  23           1HG      PRO  23 -11.050   0.223  10.573
  146    HD2  PRO  23           2HD      PRO  23  -9.048   2.234  10.456
  147    HD3  PRO  23           1HD      PRO  23 -10.783   2.490  10.730
  148    H    GLY  24           H        GLY  24  -8.461  -1.068  14.156
  149    HA2  GLY  24           2HA      GLY  24  -5.758   0.094  14.530
  150    HA3  GLY  24           1HA      GLY  24  -6.294  -1.474  15.133
  151    H    ALA  25           H        ALA  25  -6.891  -0.402  11.840
  152    HA   ALA  25           HA       ALA  25  -5.492  -2.767  10.820
  153    HB1  ALA  25           1HB      ALA  25  -7.021  -2.520   9.187
  154    HB2  ALA  25           2HB      ALA  25  -6.234  -1.020   8.697
  155    HB3  ALA  25           3HB      ALA  25  -7.539  -0.985   9.883
  156    H    GLN  26           H        GLN  26  -3.635  -2.712   9.478
  157    HA   GLN  26           HA       GLN  26  -1.746  -0.590  10.062
  158    HB2  GLN  26           2HB      GLN  26  -1.489  -2.721   7.926
  159    HB3  GLN  26           1HB      GLN  26  -0.190  -1.871   8.753
  160    HG2  GLN  26           2HG      GLN  26  -1.799  -3.023  10.777
  161    HG3  GLN  26           1HG      GLN  26  -1.553  -4.275   9.559
  162   HE21  GLN  26          1HE2      GLN  26   0.063  -5.525  10.619
  163   HE22  GLN  26          2HE2      GLN  26   1.583  -4.907  11.054
  164    H    CYS  27           H        CYS  27  -3.581  -1.571   7.181
  165    HA   CYS  27           HA       CYS  27  -3.216   1.177   6.114
  166    HB2  CYS  27           2HB      CYS  27  -1.598   0.265   4.750
  167    HB3  CYS  27           1HB      CYS  27  -2.227  -1.366   4.911
  168    H    GLY  28           H        GLY  28  -4.960   1.795   4.687
  169    HA2  GLY  28           2HA      GLY  28  -7.399   0.145   5.087
  170    HA3  GLY  28           1HA      GLY  28  -7.383   1.843   4.610
  171    H    GLU  29           H        GLU  29  -5.400   1.614   2.598
  172    HA   GLU  29           HA       GLU  29  -6.441  -0.372   0.682
  173    HB2  GLU  29           2HB      GLU  29  -7.054   1.253  -0.958
  174    HB3  GLU  29           1HB      GLU  29  -7.850   1.731   0.532
  175    HG2  GLU  29           2HG      GLU  29  -6.897   3.754   0.229
  176    HG3  GLU  29           1HG      GLU  29  -5.385   2.984   0.708
  177    H    GLY  30           H        GLY  30  -4.914  -0.825  -0.979
  178    HA2  GLY  30           2HA      GLY  30  -2.732   0.609  -1.851
  179    HA3  GLY  30           1HA      GLY  30  -2.168  -0.072  -0.326
  180    H    LEU  31           H        LEU  31  -0.825  -0.891  -2.526
  181    HA   LEU  31           HA       LEU  31  -1.963  -3.213  -3.814
  182    HB2  LEU  31           2HB      LEU  31   0.665  -1.851  -3.739
  183    HB3  LEU  31           1HB      LEU  31   0.725  -3.581  -4.073
  184    HG   LEU  31           HG       LEU  31  -0.887  -1.505  -5.583
  185   HD11  LEU  31          1HD1      LEU  31   1.372  -3.327  -6.464
  186   HD12  LEU  31          2HD1      LEU  31   1.558  -1.616  -6.078
  187   HD13  LEU  31          3HD1      LEU  31   0.566  -2.108  -7.451
  188   HD21  LEU  31          3HD2      LEU  31  -1.217  -3.662  -7.076
  189   HD22  LEU  31          1HD2      LEU  31  -2.275  -3.377  -5.694
  190   HD23  LEU  31          2HD2      LEU  31  -0.929  -4.508  -5.555
  191    H    CYS  32           H        CYS  32   0.189  -2.763  -1.016
  192    HA   CYS  32           HA       CYS  32   0.005  -5.701  -0.523
  193    HB2  CYS  32           2HB      CYS  32   2.096  -3.694  -0.122
  194    HB3  CYS  32           1HB      CYS  32   1.804  -4.663   1.322
  195    H    CYS  33           H        CYS  33  -2.326  -4.637   0.086
  196    HA   CYS  33           HA       CYS  33  -2.244  -4.273   3.053
  197    HB2  CYS  33           2HB      CYS  33  -4.129  -2.987   1.059
  198    HB3  CYS  33           1HB      CYS  33  -4.287  -2.861   2.810
  199    H    GLU  34           H        GLU  34  -2.744  -6.414   3.584
  200    HA   GLU  34           HA       GLU  34  -5.124  -7.641   2.290
  201    HB2  GLU  34           2HB      GLU  34  -2.986  -8.814   4.096
  202    HB3  GLU  34           1HB      GLU  34  -4.352  -9.722   3.448
  203    HG2  GLU  34           2HG      GLU  34  -3.598  -9.082   1.137
  204    HG3  GLU  34           1HG      GLU  34  -2.154  -8.370   1.859
  205    H    GLN  35           H        GLN  35  -7.028  -7.431   3.350
  206    HA   GLN  35           HA       GLN  35  -8.559  -7.162   5.102
  207    HB2  GLN  35           2HB      GLN  35  -6.752  -9.131   5.924
  208    HB3  GLN  35           1HB      GLN  35  -6.820  -8.008   7.283
  209    HG2  GLN  35           2HG      GLN  35  -9.460  -8.168   6.663
  210    HG3  GLN  35           1HG      GLN  35  -8.930  -9.782   6.191
  211   HE21  GLN  35          1HE2      GLN  35 -10.554  -8.835   8.615
  212   HE22  GLN  35          2HE2      GLN  35  -9.723  -9.477   9.950
  213    H    CYS  36           H        CYS  36  -6.778  -4.997   4.394
  214    HA   CYS  36           HA       CYS  36  -6.232  -2.869   5.183
  215    HB2  CYS  36           2HB      CYS  36  -7.936  -3.806   7.507
  216    HB3  CYS  36           1HB      CYS  36  -7.306  -2.163   7.348
  217    H    LYS  37           H        LYS  37  -4.331  -4.883   5.501
  218    HA   LYS  37           HA       LYS  37  -2.896  -3.895   7.901
  219    HB2  LYS  37           2HB      LYS  37  -3.792  -6.675   7.389
  220    HB3  LYS  37           1HB      LYS  37  -2.107  -6.507   7.886
  221    HG2  LYS  37           2HG      LYS  37  -2.658  -5.778   9.983
  222    HG3  LYS  37           1HG      LYS  37  -4.076  -4.896   9.415
  223    HD2  LYS  37           2HD      LYS  37  -5.456  -6.653   9.786
  224    HD3  LYS  37           1HD      LYS  37  -4.315  -7.803   9.087
  225    HE2  LYS  37           2HE      LYS  37  -3.054  -7.910  11.143
  226    HE3  LYS  37           1HE      LYS  37  -3.987  -6.586  11.842
  227    HZ1  LYS  37           3HZ      LYS  37  -5.838  -8.456  11.038
  228    HZ2  LYS  37           1HZ      LYS  37  -5.360  -8.116  12.630
  229    HZ3  LYS  37           2HZ      LYS  37  -4.593  -9.359  11.761
  230    H    PHE  38           H        PHE  38  -0.504  -4.331   7.667
  231    HA   PHE  38           HA       PHE  38   0.299  -3.924   4.890
  232    HB2  PHE  38           2HB      PHE  38   1.833  -4.176   7.485
  233    HB3  PHE  38           1HB      PHE  38   2.645  -4.024   5.930
  234    HD1  PHE  38           2HD      PHE  38   0.646  -2.169   4.572
  235    HD2  PHE  38           1HD      PHE  38   2.418  -2.099   8.486
  236    HE1  PHE  38           2HE      PHE  38   0.345   0.287   4.667
  237    HE2  PHE  38           1HE      PHE  38   2.119   0.359   8.575
  238    HZ   PHE  38           HZ       PHE  38   1.082   1.552   6.665
  239    H    SER  39           H        SER  39   0.797  -5.534   3.478
  240    HA   SER  39           HA       SER  39   0.649  -8.297   4.180
  241    HB2  SER  39           2HB      SER  39   2.174  -7.179   1.811
  242    HB3  SER  39           1HB      SER  39   1.404  -8.756   1.947
  243    HG   SER  39           HG       SER  39  -0.282  -6.639   2.422
  244    H    ARG  40           H        ARG  40   3.278  -8.894   2.635
  245    HA   ARG  40           HA       ARG  40   5.086  -8.490   4.986
  246    HB2  ARG  40           2HB      ARG  40   4.561 -10.894   3.271
  247    HB3  ARG  40           1HB      ARG  40   6.170 -10.672   3.961
  248    HG2  ARG  40           2HG      ARG  40   5.080 -10.368   6.213
  249    HG3  ARG  40           1HG      ARG  40   3.546 -10.821   5.469
  250    HD2  ARG  40           2HD      ARG  40   5.980 -12.506   5.961
  251    HD3  ARG  40           1HD      ARG  40   4.284 -12.881   6.269
  252    HE   ARG  40           HE       ARG  40   4.041 -13.082   3.755
  253   HH11  ARG  40          1HH1      ARG  40   7.194 -12.225   4.231
  254   HH12  ARG  40          2HH1      ARG  40   7.900 -13.596   3.441
  255   HH21  ARG  40          1HH2      ARG  40   4.900 -15.319   3.184
  256   HH22  ARG  40          2HH2      ARG  40   6.599 -15.349   2.847
  257    H    ALA  41           H        ALA  41   7.373  -8.261   4.446
  258    HA   ALA  41           HA       ALA  41   7.791  -6.636   2.087
  259    HB1  ALA  41           1HB      ALA  41   9.069  -6.741   4.436
  260    HB2  ALA  41           2HB      ALA  41   9.882  -6.194   2.969
  261    HB3  ALA  41           3HB      ALA  41  10.108  -7.849   3.538
  262    H    GLY  42           H        GLY  42   9.652  -7.246   0.500
  263    HA2  GLY  42           2HA      GLY  42  10.535  -8.804  -1.043
  264    HA3  GLY  42           1HA      GLY  42  10.152 -10.075   0.114
  265    H    LYS  43           H        LYS  43   7.664  -7.817  -0.749
  266    HA   LYS  43           HA       LYS  43   6.229 -10.051  -2.124
  267    HB2  LYS  43           2HB      LYS  43   4.961  -9.151  -0.301
  268    HB3  LYS  43           1HB      LYS  43   5.269  -7.495  -0.822
  269    HG2  LYS  43           2HG      LYS  43   2.979  -8.296  -1.435
  270    HG3  LYS  43           1HG      LYS  43   3.942  -7.832  -2.835
  271    HD2  LYS  43           2HD      LYS  43   2.907  -9.929  -3.378
  272    HD3  LYS  43           1HD      LYS  43   4.607 -10.271  -3.052
  273    HE2  LYS  43           2HE      LYS  43   3.956 -11.751  -1.488
  274    HE3  LYS  43           1HE      LYS  43   3.296 -10.408  -0.554
  275    HZ1  LYS  43           3HZ      LYS  43   1.782 -12.368  -1.354
  276    HZ2  LYS  43           1HZ      LYS  43   1.720 -11.462  -2.787
  277    HZ3  LYS  43           2HZ      LYS  43   1.199 -10.772  -1.323
  278    H    ILE  44           H        ILE  44   6.364 -10.007  -4.298
  279    HA   ILE  44           HA       ILE  44   7.211  -7.767  -5.843
  280    HB   ILE  44           HB       ILE  44   7.382 -10.030  -6.713
  281   HG12  ILE  44          2HG1      ILE  44   6.553  -9.659  -8.942
  282   HG13  ILE  44          1HG1      ILE  44   5.296  -8.570  -8.359
  283   HG21  ILE  44          1HG2      ILE  44   5.710 -11.476  -6.304
  284   HG22  ILE  44          2HG2      ILE  44   4.718 -10.613  -7.480
  285   HG23  ILE  44          3HG2      ILE  44   4.663 -10.159  -5.776
  286   HD11  ILE  44          3HD1      ILE  44   7.521  -7.585  -9.376
  287   HD12  ILE  44          1HD1      ILE  44   8.167  -7.927  -7.772
  288   HD13  ILE  44          2HD1      ILE  44   6.794  -6.834  -7.955
  289    H    CYS  45           H        CYS  45   5.693  -6.188  -4.718
  290    HA   CYS  45           HA       CYS  45   2.897  -6.140  -5.037
  291    HB2  CYS  45           2HB      CYS  45   3.333  -3.527  -5.253
  292    HB3  CYS  45           1HB      CYS  45   3.623  -4.361  -3.733
  293    H    ARG  46           H        ARG  46   5.427  -5.409  -7.367
  294    HA   ARG  46           HA       ARG  46   3.443  -5.559  -9.533
  295    HB2  ARG  46           2HB      ARG  46   4.209  -3.036  -8.491
  296    HB3  ARG  46           1HB      ARG  46   5.035  -3.214 -10.039
  297    HG2  ARG  46           2HG      ARG  46   2.864  -3.839 -11.091
  298    HG3  ARG  46           1HG      ARG  46   2.063  -3.548  -9.547
  299    HD2  ARG  46           2HD      ARG  46   1.778  -1.457 -10.445
  300    HD3  ARG  46           1HD      ARG  46   3.395  -1.217  -9.784
  301    HE   ARG  46           HE       ARG  46   3.038  -2.096 -12.616
  302   HH11  ARG  46          1HH1      ARG  46   3.131   0.792 -11.058
  303   HH12  ARG  46          2HH1      ARG  46   4.612   1.361 -11.752
  304   HH21  ARG  46          1HH2      ARG  46   5.440  -1.700 -13.158
  305   HH22  ARG  46          2HH2      ARG  46   5.921  -0.050 -12.939
  306    H    ILE  47           H        ILE  47   4.389  -6.353 -11.392
  307    HA   ILE  47           HA       ILE  47   7.250  -7.056 -11.219
  308    HB   ILE  47           HB       ILE  47   6.839  -8.531 -13.049
  309   HG12  ILE  47          2HG1      ILE  47   4.224  -7.041 -13.457
  310   HG13  ILE  47          1HG1      ILE  47   5.656  -6.885 -14.478
  311   HG21  ILE  47          1HG2      ILE  47   5.485  -8.776 -10.734
  312   HG22  ILE  47          2HG2      ILE  47   5.343  -9.949 -12.043
  313   HG23  ILE  47          3HG2      ILE  47   4.123  -8.691 -11.849
  314   HD11  ILE  47          3HD1      ILE  47   3.621  -8.671 -14.926
  315   HD12  ILE  47          1HD1      ILE  47   4.779  -9.666 -14.042
  316   HD13  ILE  47          2HD1      ILE  47   5.266  -8.860 -15.533
  317    H    ALA  48           H        ALA  48   8.821  -6.293 -12.686
  318    HA   ALA  48           HA       ALA  48   8.318  -3.661 -13.800
  319    HB1  ALA  48           1HB      ALA  48  10.551  -3.589 -13.561
  320    HB2  ALA  48           2HB      ALA  48  10.700  -4.720 -14.904
  321    HB3  ALA  48           3HB      ALA  48  10.603  -5.324 -13.250
  322    H    ARG  49           H        ARG  49   6.706  -3.897 -15.396
  323    HA   ARG  49           HA       ARG  49   6.896  -5.888 -17.491
  324    HB2  ARG  49           2HB      ARG  49   5.340  -3.323 -17.757
  325    HB3  ARG  49           1HB      ARG  49   4.930  -4.933 -18.352
  326    HG2  ARG  49           2HG      ARG  49   3.724  -5.280 -16.487
  327    HG3  ARG  49           1HG      ARG  49   5.204  -5.153 -15.536
  328    HD2  ARG  49           2HD      ARG  49   3.452  -3.531 -14.807
  329    HD3  ARG  49           1HD      ARG  49   4.929  -2.736 -15.355
  330    HE   ARG  49           HE       ARG  49   3.719  -2.327 -17.535
  331   HH11  ARG  49          1HH2      ARG  49   2.469  -1.061 -14.926
  332   HH12  ARG  49          2HH2      ARG  49   0.790  -1.222 -15.317
  333   HH21  ARG  49          1HH1      ARG  49   1.340  -3.421 -17.942
  334   HH22  ARG  49          2HH1      ARG  49   0.150  -2.559 -17.025
  335    H    GLY  50           H        GLY  50   8.937  -5.650 -18.523
  336    HA2  GLY  50           2HA      GLY  50   9.363  -4.338 -20.788
  337    HA3  GLY  50           1HA      GLY  50   9.573  -2.989 -19.681
  338    H    ASP  51           H        ASP  51  10.987  -4.040 -17.642
  339    HA   ASP  51           HA       ASP  51  13.036  -5.844 -17.952
  340    HB2  ASP  51           2HB      ASP  51  13.359  -3.667 -19.844
  341    HB3  ASP  51           1HB      ASP  51  14.742  -3.774 -18.755
  342    H    TRP  52           H        TRP  52  12.576  -2.424 -17.205
  343    HA   TRP  52           HA       TRP  52  14.552  -1.929 -15.340
  344    HB2  TRP  52           2HB      TRP  52  12.476  -0.755 -14.044
  345    HB3  TRP  52           1HB      TRP  52  13.239  -0.064 -15.473
  346    HD1  TRP  52           HD       TRP  52  10.101  -1.928 -14.342
  347    HE1  TRP  52           1HE      TRP  52   8.326  -1.765 -16.203
  348    HE3  TRP  52           3HE      TRP  52  12.891   0.221 -18.042
  349    HZ2  TRP  52           2HZ      TRP  52   8.116  -0.846 -18.905
  350    HZ3  TRP  52           3HZ      TRP  52  11.879   0.728 -20.247
  351    HH2  TRP  52           HH       TRP  52   9.496   0.198 -20.683
  352    H    ASN  53           H        ASN  53  14.116  -1.773 -12.830
  353    HA   ASN  53           HA       ASN  53  13.935  -4.470 -11.843
  354    HB2  ASN  53           2HB      ASN  53  14.977  -2.135 -10.874
  355    HB3  ASN  53           1HB      ASN  53  13.519  -2.294  -9.891
  356   HD21  ASN  53          1HD2      ASN  53  13.460  -3.973  -8.310
  357   HD22  ASN  53          2HD2      ASN  53  14.765  -5.018  -8.018
  358    H    ASP  54           H        ASP  54  12.321  -5.302 -10.333
  359    HA   ASP  54           HA       ASP  54   9.600  -4.452 -11.084
  360    HB2  ASP  54           2HB      ASP  54  10.360  -6.673  -9.176
  361    HB3  ASP  54           1HB      ASP  54   8.864  -6.497 -10.094
  362    H    ASP  55           H        ASP  55   8.160  -5.032  -8.792
  363    HA   ASP  55           HA       ASP  55   9.166  -2.966  -6.876
  364    HB2  ASP  55           2HB      ASP  55   6.269  -3.686  -7.393
  365    HB3  ASP  55           1HB      ASP  55   6.885  -2.310  -6.475
  366    H    ARG  56           H        ARG  56   9.263  -3.561  -4.729
  367    HA   ARG  56           HA       ARG  56   8.027  -6.172  -3.962
  368    HB2  ARG  56           2HB      ARG  56  10.540  -6.278  -4.424
  369    HB3  ARG  56           1HB      ARG  56  10.739  -5.260  -2.999
  370    HG2  ARG  56           2HG      ARG  56  10.558  -7.071  -1.693
  371    HG3  ARG  56           1HG      ARG  56   8.935  -7.356  -2.323
  372    HD2  ARG  56           2HD      ARG  56  10.193  -9.339  -2.804
  373    HD3  ARG  56           1HD      ARG  56  10.038  -8.469  -4.329
  374    HE   ARG  56           HE       ARG  56  12.497  -8.062  -2.705
  375   HH11  ARG  56          1HH2      ARG  56  12.442  -6.948  -5.408
  376   HH12  ARG  56          2HH2      ARG  56  13.184  -8.183  -6.369
  377   HH21  ARG  56          1HH1      ARG  56  12.769 -10.660  -3.977
  378   HH22  ARG  56          2HH1      ARG  56  13.368 -10.286  -5.559
  379    H    CYS  57           H        CYS  57   6.571  -5.700  -2.354
  380    HA   CYS  57           HA       CYS  57   6.456  -3.300  -0.876
  381    HB2  CYS  57           2HB      CYS  57   5.672  -6.022   0.211
  382    HB3  CYS  57           1HB      CYS  57   5.021  -4.458   0.694
  383    H    THR  58           H        THR  58   7.496  -2.591   0.967
  384    HA   THR  58           HA       THR  58   9.979  -3.918   1.703
  385    HB   THR  58           HB       THR  58  10.305  -2.020   3.197
  386    HG1  THR  58           1HG      THR  58   8.581  -0.506   3.393
  387   HG21  THR  58          3HG2      THR  58   9.279  -0.263   1.285
  388   HG22  THR  58          1HG2      THR  58   9.563  -1.758   0.394
  389   HG23  THR  58          2HG2      THR  58  10.885  -0.992   1.276
  390    H    GLY  59           H        GLY  59   6.787  -4.360   2.654
  391    HA2  GLY  59           1HA      GLY  59   6.357  -6.212   4.234
  392    HA3  GLY  59           2HA      GLY  59   7.721  -5.638   5.189
  393    H    GLN  60           H        GLN  60   6.998  -2.821   4.972
  394    HA   GLN  60           HA       GLN  60   4.531  -2.832   6.664
  395    HB2  GLN  60           2HB      GLN  60   6.850  -0.892   6.862
  396    HB3  GLN  60           1HB      GLN  60   5.484  -1.036   7.969
  397    HG2  GLN  60           2HG      GLN  60   6.512  -3.613   7.891
  398    HG3  GLN  60           1HG      GLN  60   7.954  -2.599   7.860
  399   HE21  GLN  60          1HE2      GLN  60   6.825  -4.267  10.129
  400   HE22  GLN  60          2HE2      GLN  60   6.628  -3.177  11.415
  401    H    SER  61           H        SER  61   5.833  -1.840   3.740
  402    HA   SER  61           HA       SER  61   4.389   0.731   3.626
  403    HB2  SER  61           2HB      SER  61   5.751  -0.727   1.350
  404    HB3  SER  61           1HB      SER  61   5.355   0.988   1.445
  405    HG   SER  61           HG       SER  61   7.592   0.362   1.943
  406    H    ALA  62           H        ALA  62   2.429   1.034   2.595
  407    HA   ALA  62           HA       ALA  62   1.037  -1.436   1.686
  408    HB1  ALA  62           1HB      ALA  62  -0.465  -0.471   3.128
  409    HB2  ALA  62           2HB      ALA  62  -0.909   0.439   1.684
  410    HB3  ALA  62           3HB      ALA  62   0.177   1.152   2.877
  411    H    ASP  63           H        ASP  63   1.664   1.929   0.680
  412    HA   ASP  63           HA       ASP  63   0.633   1.350  -2.023
  413    HB2  ASP  63           2HB      ASP  63   1.951   3.856  -0.932
  414    HB3  ASP  63           1HB      ASP  63   1.092   3.716  -2.466
  415    H    CYS  64           H        CYS  64   2.265  -0.303  -2.524
  416    HA   CYS  64           HA       CYS  64   5.051   0.046  -2.457
  417    HB2  CYS  64           2HB      CYS  64   3.360  -1.889  -3.409
  418    HB3  CYS  64           1HB      CYS  64   4.064  -1.262  -4.899
  419    HA   PRO  65           HA       PRO  65   5.752   3.198  -5.384
  420    HB2  PRO  65           2HB      PRO  65   8.463   2.870  -5.493
  421    HB3  PRO  65           1HB      PRO  65   7.642   3.653  -4.145
  422    HG2  PRO  65           2HG      PRO  65   8.958   1.003  -4.265
  423    HG3  PRO  65           1HG      PRO  65   8.544   1.984  -2.849
  424    HD2  PRO  65           2HD      PRO  65   7.132  -0.283  -3.869
  425    HD3  PRO  65           1HD      PRO  65   6.666   0.745  -2.505
  426    H    ARG  66           H        ARG  66   7.555   3.301  -7.394
  427    HA   ARG  66           HA       ARG  66   7.424   0.759  -8.920
  428    HB2  ARG  66           2HB      ARG  66   6.415   1.804 -10.856
  429    HB3  ARG  66           1HB      ARG  66   5.377   2.126  -9.466
  430    HG2  ARG  66           2HG      ARG  66   5.674   4.351  -9.665
  431    HG3  ARG  66           1HG      ARG  66   7.427   4.168  -9.730
  432    HD2  ARG  66           2HD      ARG  66   7.117   4.954 -11.863
  433    HD3  ARG  66           1HD      ARG  66   6.812   3.248 -12.187
  434    HE   ARG  66           HE       ARG  66   4.655   5.276 -11.763
  435   HH11  ARG  66          1HH2      ARG  66   6.042   3.090 -13.897
  436   HH12  ARG  66          2HH2      ARG  66   4.554   2.348 -14.383
  437   HH21  ARG  66          1HH1      ARG  66   2.649   3.988 -11.994
  438   HH22  ARG  66          2HH1      ARG  66   2.633   2.856 -13.305
  439    H    TYR  67           H        TYR  67   8.912   0.778 -10.781
  440    HA   TYR  67           HA       TYR  67  10.940   2.970 -10.647
  441    HB2  TYR  67           2HB      TYR  67  11.703   0.086 -11.100
  442    HB3  TYR  67           1HB      TYR  67  12.737   1.436 -10.631
  443    HD1  TYR  67           1HD      TYR  67  11.374   2.725  -8.452
  444    HD2  TYR  67           2HD      TYR  67  11.639  -1.467  -9.353
  445    HE1  TYR  67           1HE      TYR  67  10.997   2.187  -6.061
  446    HE2  TYR  67           2HE      TYR  67  11.262  -2.004  -6.961
  447    HH   TYR  67           HH       TYR  67  11.393  -1.039  -4.821
  448    H    HIS  68           H        HIS  68  10.170   3.891 -12.597
  449    HA   HIS  68           HA       HIS  68   9.924   4.097 -14.924
  450    HB2  HIS  68           2HB      HIS  68  11.936   1.844 -15.084
  451    HB3  HIS  68           1HB      HIS  68  11.691   3.164 -16.228
  452    HD1  HIS  68           1HD      HIS  68  14.490   2.876 -15.139
  453    HD2  HIS  68           2HD      HIS  68  11.582   5.156 -13.209
  454    HE1  HIS  68           1HE      HIS  68  15.730   4.527 -13.674