*HEADER    HYDROLASE                               22-APR-13   2M7H              
*TITLE     THE C-TERMINAL REGION OF DISINTEGRIN MODULATE ITS 3D CONFORMATION AND 
*TITLE    2 COOPERATE WITH RGD LOOP IN REGULATING INTEGRIN ALPHA-IIB BETA-3      
*TITLE    3 RECOGNITION                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC METALLOPROTEINASE/DISINTEGRIN;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 408-478;                                      
*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 MUANT, RGD MOTIF, C-TERMINAL REGION MUTATIONS, INTEGRIN   
*KEYWDS   2 ALPHA-IIB BETA-3, HYDROLASE                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    W.CHUANG, Y.CHANG                                                     
*REVDAT   1   22-MAY-13 2M7H    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 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 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
 assign ( resid 66 and name ha ) ( resid 67 and name hn ) 3.20 1.40 1.80
 assign ( resid 66 and name hn ) ( resid 67 and name hn ) 4.20 1.80 1.80
 assign ( resid 69 and name hn ) ( resid 68 and name ha ) 3.20 1.40 1.80
 assign ( resid 70 and name hn ) ( resid 69 and name ha ) 3.40 1.60 1.80  !?????3.40 1.60 1.80
 assign ( resid 70 and name hn ) ( resid 69 and name hn ) 3.40 1.60 1.80  !?????3.40 1.60 1.80
 assign ( resid 70 and name hn ) ( resid 71 and name hn ) 3.20 1.40 1.80
 assign ( resid 71 and name hn ) ( resid 70 and name ha ) 2.60 0.80 0.80
 
!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 hd2 ) 4.20 1.80 1.80  !?????65hd2 4.20 1.80 1.80
 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 ) 4.50 2.00 2.50 !?????21hd12 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 65 and name hd1 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 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 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* ) 4.50 2.00 2.50  !????
 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 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 hg2* ) 4.50 2.00 2.00  !?????44hg2* 
 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 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* )  1.80 0 5.20  !????
 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 hd2* ) 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 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 hg2* ) 4.20 1.80 1.80  !????!?????47hg2* 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 ha ) 4.20 1.80 1.80
!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 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 ) 4.20 1.80 3.20
 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 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 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
 assign ( resid 52 and name he1 ) ( resid 70 and name hb2 ) 4.50 2.00 2.00
!assign ( resid 52 and name he1 ) ( resid 70 and name hb1 ) 4.50 2.00 2.00  !????
 assign ( resid 58 and name hn ) ( resid 65 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 58 and name ha ) ( resid 65 and name hd2 ) 3.40 1.60 2.60
 assign ( resid 58 and name ha ) ( resid 65 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 65 and name hb1 ) ( resid 58 and name hb ) 3.40 1.60 2.60
 assign ( resid 65 and name hd2 ) ( resid 58 and name hb ) 3.40 1.60 2.60
 assign ( resid 65 and name hg2 ) ( resid 58 and name hg2* ) 3.20 1.40 1.80
 assign ( resid 65 and name hg1 ) ( resid 58 and name hg2* ) 3.20 1.40 1.80
 assign ( resid 65 and name hb1 ) ( resid 58 and name hg2* ) 3.20 1.40 1.80
 assign ( resid 65 and name hd2 ) ( resid 58 and name hg2* ) 4.20 1.80 1.80
 assign ( resid 65 and name hd2 ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd2 ) ( resid 57 and name ha ) 4.20 1.80 1.80
 assign ( resid 65 and name hd1 ) ( resid 57 and name ha ) 4.20 1.80 1.80
!assign ( resid 67 and name hb2 ) ( resid 55 and name ha ) 4.20 1.80 1.80  !????
!assign ( resid 67 and name hb1 ) ( resid 55 and name ha ) 4.20 1.80 1.80  !????
 assign ( resid 67 and name hd22 ) ( resid 52 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 67 and name hd21 ) ( resid 52 and name hd1 ) 4.50 2.00 2.00
!assign ( resid 67 and name hd22 ) ( resid 55 and name ha ) 4.50 2.00 2.00  !?????4.50 2.00 2.00!????
!assign ( resid 67 and name hd22 ) ( resid 55 and name hb2 ) 4.20 1.80 1.80  !????
!assign ( resid 67 and name hd22 ) ( resid 55 and name hb1 ) 4.20 1.80 1.80  !????
!assign ( resid 69 and name hn ) ( resid 52 and name hh2 ) 4.20 1.80 1.80 !????
 assign ( resid 69 and name hb2 ) ( resid 52 and name hz3 ) 4.20 1.80 1.80
!assign ( resid 69 and name he1 ) ( resid 52 and name hz2 ) 4.20 1.80 1.80 !????
 assign ( resid 69 and name hd1 ) ( resid 52 and name hz3 ) 5.00 2.50 3.00 !?????52hz3 5.00 2.50 3.00
 assign ( resid 69 and name hd1 ) ( resid 52 and name he3 ) 4.50 2.00 2.00 !?????52he3
 assign ( resid 70 and name hd22 ) ( resid 48 and name hb* ) 4.20 1.80 1.80
 assign ( resid 70 and name hd22 ) ( resid 48 and name ha ) 4.20 1.80 1.80
 assign ( resid 70 and name hd21 ) ( resid 48 and name hb* ) 4.20 1.80 1.80
 assign ( resid 70 and name hd22 ) ( resid 52 and name he1 ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 70 and name hd21 ) ( resid 52 and name he1 ) 4.50 2.20 2.20  !?????4.50 2.20 2.20
 assign ( resid 70 and name hd22 ) ( resid 52 and name hd1 ) 4.20 1.80 1.80  
!assign ( resid 70 and name hd21 ) ( resid 52 and name hd1 ) 4.50 2.00 2.00  !????
!assign ( resid 70 and name hn ) ( resid 52 and name hh2 ) 3.40 1.60 1.80  !?????52hh2 3.40 1.60 1.80
!assign ( resid 71 and name ha ) ( resid 52 and name hz2 ) 5.00 2.50 3.00 !????
!assign ( resid 71 and name ha ) ( resid 52 and name hh2 ) 5.00 2.50 3.00 !????

!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* ) 4.20 1.80 1.80  !????!?????4.20 1.80 1.80
 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 2.90  !?????47hg1* 3.40 1.60 2.90
 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 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 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 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 2.50
 assign ( resid 52 and name he1 ) ( resid 49 and name hn ) 3.20 1.40 1.80
 assign ( resid 52 and name he1 ) ( resid 48 and name ha ) 3.20 1.40 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 ) 3.40 1.60 2.60  !?????3.40 1.60 2.60
!assign ( resid 52 and name hd1 ) ( resid 50 and name ha1 ) 2.50 0.00 4.20  !????
 assign ( resid 52 and name hd1 ) ( resid 51 and name hb1 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name hd1 ) ( resid 51 and name hb2 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
!assign ( resid 52 and name hd1 ) ( resid 49 and name hb2 ) 4.20 1.80 2.00  !????
!assign ( resid 52 and name hd1 ) ( resid 49 and name hg* ) 2.50 0.00 4.20  !????
 assign ( resid 52 and name hd1 ) ( resid 48 and name hb* ) 3.40 1.60 2.60  !?????3.40 1.60 2.60
!assign ( resid 52 and name hd1 ) ( resid 53 and name hb2 ) 4.50 2.00 2.00  !????
!assign ( resid 52 and name hd1 ) ( resid 53 and name hb1 ) 4.50 2.00 2.00  !????
 assign ( resid 52 and name he3 ) ( resid 48 and name hb* ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name he3 ) ( resid 51 and name ha ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name he3 ) ( resid 51 and name hb1 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
!assign ( resid 52 and name he3 ) ( resid 51 and name hb2 ) 2.50 0.00 4.20  !????
!assign ( resid 52 and name he3 ) ( resid 50 and name ha1 ) 4.50 2.00 2.50  !????
 assign ( resid 52 and name hh2 ) ( resid 50 and name ha1 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name hh2 ) ( resid 50 and name ha2 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
!assign ( resid 52 and name hh2 ) ( resid 49 and name hb2 ) 4.20 1.80 2.00  !????
!assign ( resid 52 and name hz2 ) ( resid 49 and name ha ) 2.50 0.00 3.20  !????
 assign ( resid 52 and name hz2 ) ( resid 48 and name ha ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name hz2 ) ( resid 50 and name ha1 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name hz2 ) ( resid 50 and name ha2 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb1 ) 3.40 1.60 2.60  !?????3.40 1.60 2.60
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb2 ) 3.40 1.60 2.60  !?????3.40 1.60 2.60
!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  !?????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 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  !?????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* ) 4.10 1.80 3.90  !????
!assign ( resid 49 and name hd* ) ( resid 47 and name hd* ) 4.10 1.80 3.90  !????
 assign ( resid 49 and name hb* ) ( resid 48 and name hb* ) 4.50 2.00 2.50  !?????49hb*
 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  !?????2.60 0.80 0.80
 assign ( resid 64 and name ha ) ( resid 65 and name hd2 ) 2.60 0.80 0.80  !?????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 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
 assign ( resid 66 and name hg* ) ( resid 67 and name hn ) 4.50 2.00 2.50
 assign ( resid 66 and name hd* ) ( resid 67 and name hn ) 4.50 2.00 2.50
 assign ( resid 66 and name hb2 ) ( resid 67 and name hn ) 3.20 1.40 1.80
 assign ( resid 66 and name hb1 ) ( resid 67 and name hn ) 4.20 1.80 1.80
 assign ( resid 52 and name he1 ) ( resid 50 and name hn ) 4.20 1.80 1.80
 assign ( resid 52 and name he3 ) ( resid 51 and name hn ) 3.40 1.60 2.60
 assign ( resid 52 and name hz3 ) ( resid 50 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 52 and name hz3 ) ( resid 50 and name ha1 ) 4.20 1.80 1.80
 assign ( resid 52 and name hz3 ) ( resid 51 and name hn ) 4.20 1.80 1.80
 assign ( resid 67 and name ha ) ( resid 66 and name ha ) 4.20 1.80 1.80
 assign ( resid 67 and name hn ) ( resid 68 and name hd2 ) 3.40 1.60 1.80
 assign ( resid 67 and name hn ) ( resid 68 and name hd1 ) 4.20 1.80 1.80 
 assign ( resid 67 and name ha ) ( resid 68 and name hd2 ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 67 and name ha ) ( resid 68 and name hd1 ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 67 and name ha ) ( resid 68 and name hg* ) 4.20 1.80 1.80
 assign ( resid 67 and name ha ) ( resid 68 and name hb2 ) 4.50 2.00 2.00
 assign ( resid 67 and name ha ) ( resid 68 and name hb1 ) 4.50 2.00 2.00
 assign ( resid 67 and name hb2 ) ( resid 68 and name hd2 ) 3.40 1.60 1.80
 assign ( resid 67 and name hb2 ) ( resid 68 and name hd1 ) 3.40 1.60 1.80
 assign ( resid 67 and name hb1 ) ( resid 68 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 67 and name hb1 ) ( resid 68 and name hd1 ) 3.40 1.60 1.80
!assign ( resid 68 and name hd1 ) ( resid 66 and name hb2 ) 4.20 1.80 1.80  !????
 assign ( resid 68 and name ha ) ( resid 70 and name hn ) 4.20 1.80 1.80
 assign ( resid 69 and name hn ) ( resid 66 and name hb2 ) 3.40 1.60 1.80
!assign ( resid 69 and name ha ) ( resid 66 and name hg* ) 4.20 1.80 1.80  !????
!assign ( resid 69 and name hb2 ) ( resid 66 and name hb2 ) 4.50 2.00 2.00  !????
!assign ( resid 69 and name hb2 ) ( resid 66 and name ha ) 4.50 2.00 2.00  !????
!assign ( resid 69 and name hb2 ) ( resid 66 and name hd* ) 4.20 1.80 1.80  !????
 assign ( resid 69 and name hn ) ( resid 67 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 69 and name hn ) ( resid 67 and name hb1 ) 3.40 1.60 1.80
 assign ( resid 69 and name hn ) ( resid 67 and name ha ) 4.20 1.80 1.80
 assign ( resid 69 and name hn ) ( resid 68 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 69 and name hn ) ( resid 68 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 69 and name hn ) ( resid 68 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 69 and name hn ) ( resid 68 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 69 and name hn ) ( resid 71 and name hn ) 4.20 1.80 1.80
 assign ( resid 69 and name he1 ) ( resid 67 and name hd21 ) 4.20 1.80 1.80
 assign ( resid 69 and name he1 ) ( resid 67 and name hd22 ) 4.50 2.00 2.00
 assign ( resid 69 and name hd1 ) ( resid 67 and name hd21 ) 3.20 1.40 1.80
 assign ( resid 69 and name hd1 ) ( resid 67 and name hd22 ) 3.40 1.60 1.80
 assign ( resid 69 and name hd1 ) ( resid 67 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 69 and name hd1 ) ( resid 67 and name hb1 ) 4.50 2.00 2.00  !????
 assign ( resid 69 and name hd1 ) ( resid 68 and name hg* ) 4.50 2.00 2.00
 assign ( resid 69 and name hd1 ) ( resid 68 and name hb2 ) 4.50 2.00 2.00
 assign ( resid 69 and name hd1 ) ( resid 68 and name hb1 ) 4.50 2.00 2.00
 assign ( resid 69 and name hd1 ) ( resid 68 and name hd2 ) 3.40 1.60 1.80
 assign ( resid 69 and name hd1 ) ( resid 68 and name hd1 ) 4.20 1.80 1.80 !?????4.20 1.80 1.80
 assign ( resid 69 and name hd1 ) ( resid 68 and name ha ) 4.50 2.00 2.00
!assign ( resid 69 and name hd1 ) ( resid 70 and name ha ) 4.50 2.00 2.00  !????
!assign ( resid 69 and name hd1 ) ( resid 71 and name ha* ) 4.50 2.00 2.00  !????
 assign ( resid 69 and name he3 ) ( resid 68 and name hg* ) 4.20 1.80 1.80
 assign ( resid 69 and name he3 ) ( resid 68 and name hd2 ) 4.20 1.80 1.80
 assign ( resid 69 and name he3 ) ( resid 68 and name hd1 ) 5.00 2.50 3.00  !?????5.00 2.50 3.00
 assign ( resid 69 and name hz2 ) ( resid 68 and name hg* ) 4.20 1.80 1.80
 assign ( resid 69 and name hz2 ) ( resid 68 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 69 and name hh2 ) ( resid 68 and name hb2 ) 4.50 2.00 2.00
!assign ( resid 69 and name hz3 ) ( resid 68 and name hb2 ) 4.20 1.80 1.80  !????
 assign ( resid 70 and name hn ) ( resid 66 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 70 and name hn ) ( resid 69 and name hb1 ) 3.40 1.60 1.80
 assign ( resid 70 and name hn ) ( resid 69 and name hb2 ) 3.40 1.60 1.80
 assign ( resid 70 and name hn ) ( resid 69 and name he3 ) 3.20 1.40 1.80 !?????4.20 1.80 1.80
 assign ( resid 70 and name hn ) ( resid 69 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 70 and name hn ) ( resid 71 and name ha* ) 4.50 2.00 2.00
 assign ( resid 71 and name hn ) ( resid 70 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 71 and name hn ) ( resid 70 and name hb1 ) 3.40 1.60 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 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 69 and name hn ) ( resid 69 and name ha ) 2.60 0.80 0.80
  assign ( resid 69 and name hn ) ( resid 69 and name hd1 ) 3.40 1.60 1.80
  assign ( resid 69 and name hn ) ( resid 69 and name he3 ) 3.40 1.60 1.80
  assign ( resid 70 and name hn ) ( resid 70 and name ha ) 2.60 0.80 0.80
  assign ( resid 71 and name hn ) ( resid 71 and name ha1 ) 2.60 0.80 0.80
  assign ( resid 71 and name hn ) ( resid 71 and name ha2 ) 2.60 0.80 0.80
  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 66 and name ha ) ( resid 66 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 66 and name ha ) ( resid 66 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 67 and name ha ) ( resid 67 and name hb2 ) 3.20 1.40 1.80
  assign ( resid 67 and name ha ) ( resid 67 and name hb1 ) 3.20 1.40 1.80
  assign ( resid 68 and name ha ) ( resid 68 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 68 and name ha ) ( resid 68 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 69 and name ha ) ( resid 69 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 69 and name ha ) ( resid 69 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 70 and name ha ) ( resid 70 and name hb1 ) 2.60 0.80 0.80
  assign ( resid 70 and name ha ) ( resid 70 and name hb2 ) 2.60 0.80 0.80
  assign ( resid 71 and name hn ) ( resid 71 and name ha* ) 2.60 0.80 0.80
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  30.00 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  -79.81  30.00 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  -59.92  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  -120.76  40.00 2 
! N67                                                                                                   
assign (resid 66 and name c) (resid 67 and name n) (resid 67 and name ca) (resid 67 and name c) 1  -102.77  40.00 2 
! P68                                                                                         
!assign (resid 67 and name c) (resid 68 and name n) (resid 68 and name ca) (resid 68 and name c) 1  -135.57  40.00 2 
! W69                                                                                                 
assign (resid 68 and name c) (resid 69 and name n) (resid 69 and name ca) (resid 69 and name c) 1  -94.44  40.00 2 
! N70                                                                            
assign (resid 69 and name c) (resid 70 and name n) (resid 70 and name ca) (resid 70 and name c) 1  -84.9  40.00 2 
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           1HT      GLY   1 -15.865  -7.796   7.479
    2    HA2  GLY   1           1HA      GLY   1 -13.796  -6.537   7.099
    3    HA3  GLY   1           2HA      GLY   1 -13.636  -8.270   6.806
    4    H    LYS   2           H        LYS   2 -13.899  -8.975   4.498
    5    HA   LYS   2           HA       LYS   2 -12.365  -7.224   2.748
    6    HB2  LYS   2           2HB      LYS   2 -13.785  -9.823   2.089
    7    HB3  LYS   2           1HB      LYS   2 -12.517  -9.050   1.136
    8    HG2  LYS   2           2HG      LYS   2 -11.784  -9.475   3.952
    9    HG3  LYS   2           1HG      LYS   2 -12.080 -10.969   3.060
   10    HD2  LYS   2           2HD      LYS   2 -10.511 -10.235   1.304
   11    HD3  LYS   2           1HD      LYS   2 -10.214  -8.740   2.192
   12    HE2  LYS   2           2HE      LYS   2  -9.570 -11.558   3.095
   13    HE3  LYS   2           1HE      LYS   2  -8.423 -10.270   2.727
   14    HZ1  LYS   2           3HZ      LYS   2  -8.536 -10.008   4.955
   15    HZ2  LYS   2           1HZ      LYS   2 -10.099 -10.654   5.080
   16    HZ3  LYS   2           2HZ      LYS   2  -9.883  -9.055   4.552
   17    H    GLU   3           H        GLU   3 -13.950  -5.412   2.737
   18    HA   GLU   3           HA       GLU   3 -15.785  -5.696   0.451
   19    HB2  GLU   3           2HB      GLU   3 -17.650  -4.599   1.829
   20    HB3  GLU   3           1HB      GLU   3 -17.338  -6.305   2.155
   21    HG2  GLU   3           2HG      GLU   3 -15.679  -5.378   3.964
   22    HG3  GLU   3           1HG      GLU   3 -16.640  -3.905   3.823
   23    H    CYS   4           H        CYS   4 -13.328  -4.201   1.123
   24    HA   CYS   4           HA       CYS   4 -14.045  -1.690  -0.021
   25    HB2  CYS   4           2HB      CYS   4 -14.993  -1.216   2.196
   26    HB3  CYS   4           1HB      CYS   4 -13.455  -1.627   2.953
   27    H    ASP   5           H        ASP   5 -12.212  -0.970  -1.007
   28    HA   ASP   5           HA       ASP   5  -9.612  -2.051  -0.013
   29    HB2  ASP   5           2HB      ASP   5 -10.319  -2.680  -2.340
   30    HB3  ASP   5           1HB      ASP   5 -10.273  -0.970  -2.770
   31    H    CYS   6           H        CYS   6 -11.452   0.800  -0.342
   32    HA   CYS   6           HA       CYS   6  -9.002   2.420   0.209
   33    HB2  CYS   6           2HB      CYS   6  -9.944   4.258  -1.094
   34    HB3  CYS   6           1HB      CYS   6  -9.847   2.818  -2.108
   35    H    SER   7           H        SER   7  -9.183   3.704   2.005
   36    HA   SER   7           HA       SER   7 -11.608   3.497   3.622
   37    HB2  SER   7           2HB      SER   7  -9.073   5.107   4.046
   38    HB3  SER   7           1HB      SER   7 -10.347   4.888   5.241
   39    HG   SER   7           HG       SER   7  -8.297   3.309   4.745
   40    H    SER   8           H        SER   8 -10.924   5.332   0.991
   41    HA   SER   8           HA       SER   8 -12.321   7.741   2.058
   42    HB2  SER   8           2HB      SER   8 -10.236   7.304   0.032
   43    HB3  SER   8           1HB      SER   8 -11.527   8.377  -0.502
   44    HG   SER   8           HG       SER   8  -9.551   8.792   1.315
   45    HA   PRO   9           HA       PRO   9 -15.746   6.009  -0.273
   46    HB2  PRO   9           2HB      PRO   9 -17.613   7.744   0.761
   47    HB3  PRO   9           1HB      PRO   9 -17.058   6.286   1.602
   48    HG2  PRO   9           2HG      PRO   9 -16.385   9.139   2.148
   49    HG3  PRO   9           1HG      PRO   9 -16.393   7.756   3.255
   50    HD2  PRO   9           2HD      PRO   9 -14.099   8.917   2.072
   51    HD3  PRO   9           1HD      PRO   9 -14.165   7.349   2.907
   52    H    GLU  10           H        GLU  10 -14.044   8.787  -0.705
   53    HA   GLU  10           HA       GLU  10 -15.898   9.792  -2.828
   54    HB2  GLU  10           2HB      GLU  10 -14.133  11.183  -0.871
   55    HB3  GLU  10           1HB      GLU  10 -14.204  11.866  -2.495
   56    HG2  GLU  10           2HG      GLU  10 -16.781  11.635  -2.238
   57    HG3  GLU  10           1HG      GLU  10 -16.441  11.491  -0.515
   58    H    ASN  11           H        ASN  11 -13.424   7.800  -2.541
   59    HA   ASN  11           HA       ASN  11 -11.579   8.953  -4.509
   60    HB2  ASN  11           2HB      ASN  11 -11.328   7.071  -2.499
   61    HB3  ASN  11           1HB      ASN  11 -11.336   6.083  -3.956
   62   HD21  ASN  11          1HD2      ASN  11  -8.949   5.788  -3.151
   63   HD22  ASN  11          2HD2      ASN  11  -7.816   6.911  -3.730
   64    HA   PRO  12           HA       PRO  12 -13.923   7.270  -7.886
   65    HB2  PRO  12           2HB      PRO  12 -12.154   8.013  -9.854
   66    HB3  PRO  12           1HB      PRO  12 -13.279   9.136  -9.071
   67    HG2  PRO  12           2HG      PRO  12 -10.334   8.872  -8.705
   68    HG3  PRO  12           1HG      PRO  12 -11.375  10.281  -8.448
   69    HD2  PRO  12           2HD      PRO  12 -10.345   8.570  -6.429
   70    HD3  PRO  12           1HD      PRO  12 -11.605   9.806  -6.221
   71    H    CYS  13           H        CYS  13 -10.688   6.302  -7.036
   72    HA   CYS  13           HA       CYS  13 -10.427   4.292  -9.123
   73    HB2  CYS  13           2HB      CYS  13  -8.646   5.513  -7.464
   74    HB3  CYS  13           1HB      CYS  13  -8.843   3.959  -6.649
   75    H    CYS  14           H        CYS  14 -12.197   4.421  -6.210
   76    HA   CYS  14           HA       CYS  14 -12.482   1.450  -6.324
   77    HB2  CYS  14           2HB      CYS  14 -12.727   1.479  -3.824
   78    HB3  CYS  14           1HB      CYS  14 -11.111   1.912  -4.383
   79    H    ASP  15           H        ASP  15 -14.558   0.874  -6.634
   80    HA   ASP  15           HA       ASP  15 -16.715   2.670  -6.867
   81    HB2  ASP  15           2HB      ASP  15 -16.643   0.243  -7.632
   82    HB3  ASP  15           1HB      ASP  15 -16.973  -0.209  -5.960
   83    H    ALA  16           H        ALA  16 -17.727   3.853  -5.325
   84    HA   ALA  16           HA       ALA  16 -17.150   3.539  -2.523
   85    HB1  ALA  16           1HB      ALA  16 -19.263   5.126  -4.005
   86    HB2  ALA  16           2HB      ALA  16 -17.751   5.726  -3.326
   87    HB3  ALA  16           3HB      ALA  16 -19.050   5.202  -2.256
   88    H    ALA  17           H        ALA  17 -19.837   2.512  -4.591
   89    HA   ALA  17           HA       ALA  17 -21.711   1.728  -2.664
   90    HB1  ALA  17           1HB      ALA  17 -22.739   0.627  -4.380
   91    HB2  ALA  17           2HB      ALA  17 -21.271  -0.241  -4.828
   92    HB3  ALA  17           3HB      ALA  17 -21.512   1.419  -5.369
   93    H    THR  18           H        THR  18 -19.014  -0.240  -3.959
   94    HA   THR  18           HA       THR  18 -19.403  -2.138  -1.706
   95    HB   THR  18           HB       THR  18 -19.141  -3.059  -4.001
   96    HG1  THR  18           1HG      THR  18 -18.139  -3.942  -1.912
   97   HG21  THR  18          3HG2      THR  18 -17.280  -1.054  -4.308
   98   HG22  THR  18          1HG2      THR  18 -17.474  -2.427  -5.398
   99   HG23  THR  18          2HG2      THR  18 -16.263  -2.482  -4.117
  100    H    CYS  19           H        CYS  19 -17.438   0.508  -2.659
  101    HA   CYS  19           HA       CYS  19 -15.727   1.581  -1.432
  102    HB2  CYS  19           2HB      CYS  19 -16.979   0.344   0.538
  103    HB3  CYS  19           1HB      CYS  19 -15.581  -0.728   0.483
  104    H    LYS  20           H        LYS  20 -15.531  -0.941  -3.327
  105    HA   LYS  20           HA       LYS  20 -12.660  -1.522  -2.708
  106    HB2  LYS  20           2HB      LYS  20 -14.550  -3.174  -4.405
  107    HB3  LYS  20           1HB      LYS  20 -12.915  -3.613  -3.905
  108    HG2  LYS  20           2HG      LYS  20 -14.147  -3.016  -1.497
  109    HG3  LYS  20           1HG      LYS  20 -15.433  -3.810  -2.409
  110    HD2  LYS  20           2HD      LYS  20 -12.698  -5.027  -2.454
  111    HD3  LYS  20           1HD      LYS  20 -13.687  -5.237  -1.008
  112    HE2  LYS  20           2HE      LYS  20 -14.592  -6.993  -2.125
  113    HE3  LYS  20           1HE      LYS  20 -15.498  -5.763  -3.006
  114    HZ1  LYS  20           3HZ      LYS  20 -13.156  -7.301  -3.838
  115    HZ2  LYS  20           1HZ      LYS  20 -13.292  -5.710  -4.408
  116    HZ3  LYS  20           2HZ      LYS  20 -14.522  -6.835  -4.734
  117    H    LEU  21           H        LEU  21 -11.685  -2.395  -5.036
  118    HA   LEU  21           HA       LEU  21 -11.352   0.005  -6.579
  119    HB2  LEU  21           2HB      LEU  21 -10.468  -2.844  -6.833
  120    HB3  LEU  21           1HB      LEU  21 -10.305  -1.780  -8.231
  121    HG   LEU  21           HG       LEU  21  -9.413  -0.533  -5.732
  122   HD11  LEU  21          1HD1      LEU  21  -8.809  -3.182  -5.799
  123   HD12  LEU  21          2HD1      LEU  21  -7.755  -1.965  -5.079
  124   HD13  LEU  21          3HD1      LEU  21  -7.457  -2.528  -6.724
  125   HD21  LEU  21          3HD2      LEU  21  -8.663   0.641  -7.552
  126   HD22  LEU  21          1HD2      LEU  21  -8.622  -0.787  -8.585
  127   HD23  LEU  21          2HD2      LEU  21  -7.312  -0.488  -7.442
  128    H    ARG  22           H        ARG  22 -12.688   0.790  -8.132
  129    HA   ARG  22           HA       ARG  22 -14.896  -0.864  -9.110
  130    HB2  ARG  22           2HB      ARG  22 -15.683   1.281  -8.844
  131    HB3  ARG  22           1HB      ARG  22 -14.143   2.021  -9.250
  132    HG2  ARG  22           2HG      ARG  22 -15.695   2.513 -11.039
  133    HG3  ARG  22           1HG      ARG  22 -14.542   1.329 -11.652
  134    HD2  ARG  22           2HD      ARG  22 -16.321   0.060 -12.218
  135    HD3  ARG  22           1HD      ARG  22 -16.553  -0.220 -10.492
  136    HE   ARG  22           HE       ARG  22 -18.160   1.661 -10.490
  137   HH11  ARG  22          1HH1      ARG  22 -17.975  -0.371 -13.127
  138   HH12  ARG  22          2HH1      ARG  22 -18.885   0.637 -14.203
  139   HH21  ARG  22          1HH2      ARG  22 -18.936   3.350 -12.046
  140   HH22  ARG  22          2HH2      ARG  22 -19.429   2.743 -13.591
  141    HA   PRO  23           HA       PRO  23 -12.514  -0.359 -13.215
  142    HB2  PRO  23           2HB      PRO  23 -10.033   0.818 -13.126
  143    HB3  PRO  23           1HB      PRO  23 -11.537   1.725 -13.370
  144    HG2  PRO  23           2HG      PRO  23  -9.820   1.560 -10.940
  145    HG3  PRO  23           1HG      PRO  23 -10.929   2.846 -11.445
  146    HD2  PRO  23           2HD      PRO  23 -11.443   0.865  -9.478
  147    HD3  PRO  23           1HD      PRO  23 -12.628   1.978 -10.190
  148    H    GLY  24           H        GLY  24  -9.829  -0.905 -13.869
  149    HA2  GLY  24           2HA      GLY  24  -9.453  -3.503 -12.488
  150    HA3  GLY  24           1HA      GLY  24  -8.702  -3.032 -14.014
  151    H    ALA  25           H        ALA  25  -8.755  -0.870 -11.269
  152    HA   ALA  25           HA       ALA  25  -5.851  -0.669 -11.298
  153    HB1  ALA  25           1HB      ALA  25  -6.642   0.647  -9.024
  154    HB2  ALA  25           2HB      ALA  25  -8.116   0.709  -9.991
  155    HB3  ALA  25           3HB      ALA  25  -6.614   1.375 -10.631
  156    H    GLN  26           H        GLN  26  -4.402  -1.510  -9.771
  157    HA   GLN  26           HA       GLN  26  -5.239  -3.868  -8.326
  158    HB2  GLN  26           2HB      GLN  26  -2.729  -2.421  -8.840
  159    HB3  GLN  26           1HB      GLN  26  -2.791  -3.192  -7.256
  160    HG2  GLN  26           2HG      GLN  26  -1.882  -4.761  -8.902
  161    HG3  GLN  26           1HG      GLN  26  -3.459  -5.322  -8.346
  162   HE21  GLN  26          1HE2      GLN  26  -2.698  -2.754 -10.746
  163   HE22  GLN  26          2HE2      GLN  26  -3.535  -3.491 -12.025
  164    H    CYS  27           H        CYS  27  -4.593  -0.511  -7.418
  165    HA   CYS  27           HA       CYS  27  -6.051  -0.956  -4.898
  166    HB2  CYS  27           2HB      CYS  27  -4.060  -1.365  -3.836
  167    HB3  CYS  27           1HB      CYS  27  -3.107  -0.557  -5.071
  168    H    GLY  28           H        GLY  28  -6.697   1.079  -3.906
  169    HA2  GLY  28           2HA      GLY  28  -6.811   3.287  -5.890
  170    HA3  GLY  28           1HA      GLY  28  -7.901   3.093  -4.520
  171    H    GLU  29           H        GLU  29  -5.798   2.514  -2.615
  172    HA   GLU  29           HA       GLU  29  -4.098   4.926  -2.660
  173    HB2  GLU  29           2HB      GLU  29  -4.923   5.817  -0.624
  174    HB3  GLU  29           1HB      GLU  29  -6.352   5.471  -1.586
  175    HG2  GLU  29           2HG      GLU  29  -7.117   4.198   0.097
  176    HG3  GLU  29           1HG      GLU  29  -5.775   3.090  -0.188
  177    H    GLY  30           H        GLY  30  -2.226   4.675  -1.389
  178    HA2  GLY  30           2HA      GLY  30  -1.641   3.018   0.712
  179    HA3  GLY  30           1HA      GLY  30  -1.594   1.907  -0.658
  180    H    LEU  31           H        LEU  31   0.733   2.460   0.853
  181    HA   LEU  31           HA       LEU  31   2.337   4.555  -0.292
  182    HB2  LEU  31           2HB      LEU  31   2.859   2.106   1.353
  183    HB3  LEU  31           1HB      LEU  31   4.225   2.883   0.555
  184    HG   LEU  31           HG       LEU  31   3.726   3.704   2.912
  185   HD11  LEU  31          1HD1      LEU  31   3.634   6.219   1.955
  186   HD12  LEU  31          2HD1      LEU  31   4.002   5.365   0.455
  187   HD13  LEU  31          3HD1      LEU  31   5.081   5.218   1.841
  188   HD21  LEU  31          3HD2      LEU  31   1.157   3.697   2.227
  189   HD22  LEU  31          1HD2      LEU  31   1.529   5.337   1.696
  190   HD23  LEU  31          2HD2      LEU  31   1.778   4.878   3.380
  191    H    CYS  32           H        CYS  32   1.773   1.178  -1.135
  192    HA   CYS  32           HA       CYS  32   3.685   1.399  -3.398
  193    HB2  CYS  32           2HB      CYS  32   2.917  -0.707  -1.662
  194    HB3  CYS  32           1HB      CYS  32   2.325  -1.137  -3.268
  195    H    CYS  33           H        CYS  33   1.087   2.830  -3.365
  196    HA   CYS  33           HA       CYS  33  -0.278   1.397  -5.605
  197    HB2  CYS  33           2HB      CYS  33  -1.366   3.539  -3.756
  198    HB3  CYS  33           1HB      CYS  33  -2.271   2.730  -5.033
  199    H    GLU  34           H        GLU  34   1.354   2.294  -7.087
  200    HA   GLU  34           HA       GLU  34   1.322   5.227  -7.456
  201    HB2  GLU  34           2HB      GLU  34   3.007   2.962  -8.395
  202    HB3  GLU  34           1HB      GLU  34   2.822   4.311  -9.518
  203    HG2  GLU  34           2HG      GLU  34   3.695   5.873  -7.940
  204    HG3  GLU  34           1HG      GLU  34   3.572   4.712  -6.617
  205    H    GLN  35           H        GLN  35  -0.284   6.063  -8.704
  206    HA   GLN  35           HA       GLN  35  -1.903   6.219 -10.392
  207    HB2  GLN  35           2HB      GLN  35  -0.089   4.140 -11.656
  208    HB3  GLN  35           1HB      GLN  35  -1.448   4.898 -12.487
  209    HG2  GLN  35           2HG      GLN  35   0.366   6.242 -13.134
  210    HG3  GLN  35           1HG      GLN  35  -0.320   7.140 -11.779
  211   HE21  GLN  35          1HE2      GLN  35   1.400   7.959 -10.573
  212   HE22  GLN  35          2HE2      GLN  35   2.784   7.080 -10.136
  213    H    CYS  36           H        CYS  36  -2.325   4.522  -8.145
  214    HA   CYS  36           HA       CYS  36  -3.859   2.918  -7.410
  215    HB2  CYS  36           2HB      CYS  36  -4.785   3.423 -10.224
  216    HB3  CYS  36           1HB      CYS  36  -5.495   2.114  -9.285
  217    H    LYS  37           H        LYS  37  -1.266   2.312  -9.111
  218    HA   LYS  37           HA       LYS  37  -1.900  -0.567  -9.609
  219    HB2  LYS  37           2HB      LYS  37   0.070   1.353 -10.807
  220    HB3  LYS  37           1HB      LYS  37   0.461  -0.367 -10.783
  221    HG2  LYS  37           2HG      LYS  37  -1.524  -0.918 -12.024
  222    HG3  LYS  37           1HG      LYS  37  -2.152   0.721 -11.857
  223    HD2  LYS  37           2HD      LYS  37  -0.199   1.566 -13.159
  224    HD3  LYS  37           1HD      LYS  37   0.328  -0.100 -13.397
  225    HE2  LYS  37           2HE      LYS  37  -2.408   0.904 -14.221
  226    HE3  LYS  37           1HE      LYS  37  -1.021   0.870 -15.311
  227    HZ1  LYS  37           3HZ      LYS  37  -1.731  -1.192 -15.747
  228    HZ2  LYS  37           1HZ      LYS  37  -2.648  -1.304 -14.326
  229    HZ3  LYS  37           2HZ      LYS  37  -0.978  -1.605 -14.281
  230    H    PHE  38           H        PHE  38  -0.212  -2.123  -8.919
  231    HA   PHE  38           HA       PHE  38   0.784  -1.467  -6.252
  232    HB2  PHE  38           2HB      PHE  38   0.876  -3.908  -8.015
  233    HB3  PHE  38           1HB      PHE  38   1.871  -3.822  -6.566
  234    HD1  PHE  38           2HD      PHE  38   0.138  -2.314  -4.714
  235    HD2  PHE  38           1HD      PHE  38  -0.834  -5.440  -7.495
  236    HE1  PHE  38           2HE      PHE  38  -1.815  -2.948  -3.322
  237    HE2  PHE  38           1HE      PHE  38  -2.783  -6.075  -6.101
  238    HZ   PHE  38           HZ       PHE  38  -3.274  -4.828  -4.014
  239    H    SER  39           H        SER  39   2.675  -0.331  -6.008
  240    HA   SER  39           HA       SER  39   4.541   0.105  -8.120
  241    HB2  SER  39           2HB      SER  39   5.559   0.118  -5.319
  242    HB3  SER  39           1HB      SER  39   5.757   1.321  -6.589
  243    HG   SER  39           HG       SER  39   4.312   2.253  -5.291
  244    H    ARG  40           H        ARG  40   7.052  -0.595  -7.399
  245    HA   ARG  40           HA       ARG  40   6.926  -3.546  -7.608
  246    HB2  ARG  40           2HB      ARG  40   9.161  -1.542  -8.025
  247    HB3  ARG  40           1HB      ARG  40   9.407  -3.288  -8.098
  248    HG2  ARG  40           2HG      ARG  40   9.034  -2.473 -10.353
  249    HG3  ARG  40           1HG      ARG  40   7.623  -3.408  -9.856
  250    HD2  ARG  40           2HD      ARG  40   6.308  -1.482  -9.528
  251    HD3  ARG  40           1HD      ARG  40   7.717  -0.427  -9.431
  252    HE   ARG  40           HE       ARG  40   8.010  -1.017 -11.937
  253   HH11  ARG  40          1HH2      ARG  40   5.264  -2.565 -11.344
  254   HH12  ARG  40          2HH2      ARG  40   4.201  -1.551 -12.262
  255   HH21  ARG  40          1HH1      ARG  40   6.534   0.982 -12.664
  256   HH22  ARG  40          2HH1      ARG  40   4.921   0.456 -13.010
  257    H    ALA  41           H        ALA  41   8.330  -4.878  -6.251
  258    HA   ALA  41           HA       ALA  41   8.281  -4.067  -3.473
  259    HB1  ALA  41           1HB      ALA  41   9.964  -6.369  -4.345
  260    HB2  ALA  41           2HB      ALA  41   8.231  -6.477  -4.654
  261    HB3  ALA  41           3HB      ALA  41   8.821  -6.260  -3.006
  262    H    GLY  42           H        GLY  42  10.341  -4.248  -2.114
  263    HA2  GLY  42           2HA      GLY  42  12.546  -3.545  -1.673
  264    HA3  GLY  42           1HA      GLY  42  12.890  -3.766  -3.390
  265    H    LYS  43           H        LYS  43  10.171  -1.814  -2.494
  266    HA   LYS  43           HA       LYS  43  11.688   0.574  -3.477
  267    HB2  LYS  43           2HB      LYS  43   9.862   0.758  -4.800
  268    HB3  LYS  43           1HB      LYS  43   8.963  -0.418  -3.850
  269    HG2  LYS  43           2HG      LYS  43   7.768   1.679  -3.729
  270    HG3  LYS  43           1HG      LYS  43   8.523   1.417  -2.160
  271    HD2  LYS  43           2HD      LYS  43   9.942   3.182  -2.406
  272    HD3  LYS  43           1HD      LYS  43  10.202   2.858  -4.121
  273    HE2  LYS  43           2HE      LYS  43   7.797   3.700  -4.472
  274    HE3  LYS  43           1HE      LYS  43   7.903   4.331  -2.828
  275    HZ1  LYS  43           3HZ      LYS  43   9.960   4.929  -4.867
  276    HZ2  LYS  43           1HZ      LYS  43   9.655   5.740  -3.408
  277    HZ3  LYS  43           2HZ      LYS  43   8.561   5.880  -4.701
  278    H    ILE  44           H        ILE  44  12.285   2.080  -2.006
  279    HA   ILE  44           HA       ILE  44  11.810   1.889   0.764
  280    HB   ILE  44           HB       ILE  44  13.594   3.282  -0.056
  281   HG12  ILE  44          2HG1      ILE  44  13.031   5.487   1.047
  282   HG13  ILE  44          1HG1      ILE  44  11.377   4.903   1.232
  283   HG21  ILE  44          1HG2      ILE  44  11.698   4.013  -1.980
  284   HG22  ILE  44          2HG2      ILE  44  13.346   4.625  -1.844
  285   HG23  ILE  44          3HG2      ILE  44  12.017   5.495  -1.077
  286   HD11  ILE  44          3HD1      ILE  44  13.810   3.443   2.288
  287   HD12  ILE  44          1HD1      ILE  44  12.119   3.048   2.595
  288   HD13  ILE  44          2HD1      ILE  44  12.813   4.528   3.259
  289    H    CYS  45           H        CYS  45   9.521   1.461   0.976
  290    HA   CYS  45           HA       CYS  45   7.499   3.325   0.094
  291    HB2  CYS  45           2HB      CYS  45   6.120   2.131   1.948
  292    HB3  CYS  45           1HB      CYS  45   6.649   1.178   0.565
  293    H    ARG  46           H        ARG  46   9.480   3.060   2.973
  294    HA   ARG  46           HA       ARG  46   8.732   5.789   3.742
  295    HB2  ARG  46           2HB      ARG  46   7.054   3.985   4.751
  296    HB3  ARG  46           1HB      ARG  46   8.361   3.761   5.913
  297    HG2  ARG  46           2HG      ARG  46   8.347   6.353   6.097
  298    HG3  ARG  46           1HG      ARG  46   6.753   6.245   5.350
  299    HD2  ARG  46           2HD      ARG  46   6.763   4.274   7.355
  300    HD3  ARG  46           1HD      ARG  46   7.521   5.687   8.088
  301    HE   ARG  46           HE       ARG  46   5.442   6.956   7.265
  302   HH11  ARG  46          1HH1      ARG  46   5.402   4.405   9.318
  303   HH12  ARG  46          2HH1      ARG  46   3.760   3.929   9.040
  304   HH21  ARG  46          1HH2      ARG  46   3.349   5.988   6.280
  305   HH22  ARG  46          2HH2      ARG  46   2.599   4.823   7.321
  306    H    ILE  47           H        ILE  47  10.123   6.560   5.544
  307    HA   ILE  47           HA       ILE  47  12.726   5.127   5.502
  308    HB   ILE  47           HB       ILE  47  12.480   7.624   4.923
  309   HG12  ILE  47          2HG1      ILE  47  14.397   7.520   7.160
  310   HG13  ILE  47          1HG1      ILE  47  14.532   6.169   6.033
  311   HG21  ILE  47          1HG2      ILE  47  10.950   8.129   6.834
  312   HG22  ILE  47          2HG2      ILE  47  12.378   9.164   6.812
  313   HG23  ILE  47          3HG2      ILE  47  12.284   7.816   7.945
  314   HD11  ILE  47          3HD1      ILE  47  14.158   8.671   4.610
  315   HD12  ILE  47          1HD1      ILE  47  15.452   7.484   4.453
  316   HD13  ILE  47          2HD1      ILE  47  15.563   8.753   5.673
  317    H    ALA  48           H        ALA  48  13.965   5.466   7.727
  318    HA   ALA  48           HA       ALA  48  12.045   4.851   9.937
  319    HB1  ALA  48           1HB      ALA  48  13.885   3.085   8.794
  320    HB2  ALA  48           2HB      ALA  48  13.074   2.886  10.348
  321    HB3  ALA  48           3HB      ALA  48  14.670   3.633  10.275
  322    H    ARG  49           H        ARG  49  12.244   6.277  11.581
  323    HA   ARG  49           HA       ARG  49  14.498   8.142  11.655
  324    HB2  ARG  49           2HB      ARG  49  13.306   9.147  13.555
  325    HB3  ARG  49           1HB      ARG  49  12.189   8.864  12.219
  326    HG2  ARG  49           2HG      ARG  49  11.876   6.521  13.447
  327    HG3  ARG  49           1HG      ARG  49  12.389   7.459  14.850
  328    HD2  ARG  49           2HD      ARG  49  10.400   8.834  13.178
  329    HD3  ARG  49           1HD      ARG  49   9.806   7.338  13.898
  330    HE   ARG  49           HE       ARG  49  10.142   9.753  15.322
  331   HH11  ARG  49          1HH1      ARG  49   8.770   7.415  16.513
  332   HH12  ARG  49          2HH1      ARG  49   9.843   6.951  17.791
  333   HH21  ARG  49          1HH2      ARG  49  12.535   8.745  16.540
  334   HH22  ARG  49          2HH2      ARG  49  11.976   7.706  17.807
  335    H    GLY  50           H        GLY  50  16.402   7.432  12.497
  336    HA2  GLY  50           2HA      GLY  50  17.159   6.937  14.994
  337    HA3  GLY  50           1HA      GLY  50  16.354   5.402  14.662
  338    H    ASP  51           H        ASP  51  17.542   3.836  13.635
  339    HA   ASP  51           HA       ASP  51  19.583   4.362  11.695
  340    HB2  ASP  51           2HB      ASP  51  20.381   4.494  14.501
  341    HB3  ASP  51           1HB      ASP  51  21.280   3.262  13.614
  342    H    TRP  52           H        TRP  52  17.588   2.600  11.488
  343    HA   TRP  52           HA       TRP  52  18.911  -0.037  11.958
  344    HB2  TRP  52           2HB      TRP  52  16.240  -0.674  11.750
  345    HB3  TRP  52           1HB      TRP  52  17.124  -0.519  13.262
  346    HD1  TRP  52           HD       TRP  52  15.238   1.854  10.832
  347    HE1  TRP  52           1HE      TRP  52  13.980   3.599  12.251
  348    HE3  TRP  52           3HE      TRP  52  16.723   0.433  15.509
  349    HZ2  TRP  52           2HZ      TRP  52  13.645   4.300  15.003
  350    HZ3  TRP  52           3HZ      TRP  52  15.919   1.658  17.508
  351    HH2  TRP  52           HH       TRP  52  14.385   3.588  17.261
  352    H    ASN  53           H        ASN  53  15.899   0.250  10.232
  353    HA   ASN  53           HA       ASN  53  17.280   0.275   7.618
  354    HB2  ASN  53           2HB      ASN  53  16.845  -2.153   8.704
  355    HB3  ASN  53           1HB      ASN  53  15.267  -1.892   7.960
  356   HD21  ASN  53          1HD2      ASN  53  18.472  -2.904   7.317
  357   HD22  ASN  53          2HD2      ASN  53  18.394  -2.856   5.622
  358    H    ASP  54           H        ASP  54  16.042   1.335   6.114
  359    HA   ASP  54           HA       ASP  54  13.662   2.701   6.877
  360    HB2  ASP  54           2HB      ASP  54  14.408   2.007   4.029
  361    HB3  ASP  54           1HB      ASP  54  13.528   3.423   4.605
  362    H    ASP  55           H        ASP  55  12.159   1.999   4.339
  363    HA   ASP  55           HA       ASP  55  11.141  -0.690   5.136
  364    HB2  ASP  55           2HB      ASP  55   9.448   1.756   4.534
  365    HB3  ASP  55           1HB      ASP  55   8.826   0.132   4.819
  366    H    ARG  56           H        ARG  56  11.179  -1.997   3.395
  367    HA   ARG  56           HA       ARG  56  11.328  -0.796   0.683
  368    HB2  ARG  56           2HB      ARG  56  11.752  -3.625   1.692
  369    HB3  ARG  56           1HB      ARG  56  11.896  -3.142   0.004
  370    HG2  ARG  56           2HG      ARG  56  13.427  -1.565   2.023
  371    HG3  ARG  56           1HG      ARG  56  14.018  -3.179   1.631
  372    HD2  ARG  56           2HD      ARG  56  13.910  -2.546  -0.804
  373    HD3  ARG  56           1HD      ARG  56  13.529  -0.899  -0.304
  374    HE   ARG  56           HE       ARG  56  16.148  -1.948  -0.413
  375   HH11  ARG  56          1HH1      ARG  56  15.429  -2.067   2.592
  376   HH12  ARG  56          2HH1      ARG  56  16.084  -0.557   3.129
  377   HH21  ARG  56          1HH2      ARG  56  16.395   0.749  -0.069
  378   HH22  ARG  56          2HH2      ARG  56  16.631   1.039   1.621
  379    H    CYS  57           H        CYS  57   9.691  -0.969  -0.767
  380    HA   CYS  57           HA       CYS  57   7.061  -1.723   0.081
  381    HB2  CYS  57           2HB      CYS  57   8.220  -0.426  -2.144
  382    HB3  CYS  57           1HB      CYS  57   7.357  -1.815  -2.792
  383    H    THR  58           H        THR  58   5.874  -3.593  -0.421
  384    HA   THR  58           HA       THR  58   7.435  -6.029  -0.766
  385    HB   THR  58           HB       THR  58   4.701  -6.639  -1.033
  386    HG1  THR  58           1HG      THR  58   4.237  -5.389   1.094
  387   HG21  THR  58          3HG2      THR  58   5.059  -7.212   1.482
  388   HG22  THR  58          1HG2      THR  58   6.718  -6.688   1.196
  389   HG23  THR  58          2HG2      THR  58   6.050  -8.038   0.279
  390    H    GLY  59           H        GLY  59   5.458  -3.974  -2.802
  391    HA2  GLY  59           2HA      GLY  59   5.535  -3.958  -5.191
  392    HA3  GLY  59           1HA      GLY  59   6.340  -5.525  -5.151
  393    H    GLN  60           H        GLN  60   4.241  -6.557  -3.235
  394    HA   GLN  60           HA       GLN  60   2.100  -6.966  -5.285
  395    HB2  GLN  60           2HB      GLN  60   3.105  -8.774  -3.070
  396    HB3  GLN  60           1HB      GLN  60   1.660  -9.111  -4.024
  397    HG2  GLN  60           2HG      GLN  60   3.096  -8.932  -6.096
  398    HG3  GLN  60           1HG      GLN  60   4.504  -8.857  -5.036
  399   HE21  GLN  60          1HE2      GLN  60   5.214 -10.819  -4.036
  400   HE22  GLN  60          2HE2      GLN  60   4.484 -12.323  -4.332
  401    H    SER  61           H        SER  61   2.721  -5.353  -2.451
  402    HA   SER  61           HA       SER  61  -0.139  -5.574  -1.592
  403    HB2  SER  61           2HB      SER  61   2.367  -5.033   0.012
  404    HB3  SER  61           1HB      SER  61   0.753  -4.717   0.642
  405    HG   SER  61           HG       SER  61   0.371  -6.814   0.740
  406    H    ALA  62           H        ALA  62  -1.263  -3.625  -1.228
  407    HA   ALA  62           HA       ALA  62  -0.323  -1.326  -2.715
  408    HB1  ALA  62           1HB      ALA  62  -2.753  -2.084  -1.219
  409    HB2  ALA  62           2HB      ALA  62  -2.591  -1.197  -2.733
  410    HB3  ALA  62           3HB      ALA  62  -2.386  -0.359  -1.197
  411    H    ASP  63           H        ASP  63  -0.818  -1.944   0.773
  412    HA   ASP  63           HA       ASP  63   0.430   0.607   1.472
  413    HB2  ASP  63           2HB      ASP  63  -0.111  -1.726   3.324
  414    HB3  ASP  63           1HB      ASP  63   0.030  -0.019   3.746
  415    H    CYS  64           H        CYS  64   2.147   0.001   3.528
  416    HA   CYS  64           HA       CYS  64   4.225  -1.699   2.211
  417    HB2  CYS  64           2HB      CYS  64   5.103   0.441   1.899
  418    HB3  CYS  64           1HB      CYS  64   4.410   1.061   3.391
  419    HA   PRO  65           HA       PRO  65   4.334  -3.828   6.003
  420    HB2  PRO  65           2HB      PRO  65   6.673  -5.158   5.507
  421    HB3  PRO  65           1HB      PRO  65   5.135  -5.616   4.780
  422    HG2  PRO  65           2HG      PRO  65   7.485  -4.266   3.556
  423    HG3  PRO  65           1HG      PRO  65   6.220  -5.238   2.784
  424    HD2  PRO  65           2HD      PRO  65   6.389  -2.414   2.775
  425    HD3  PRO  65           1HD      PRO  65   4.985  -3.386   2.285
  426    H    ARG  66           H        ARG  66   6.020  -4.183   7.849
  427    HA   ARG  66           HA       ARG  66   7.882  -1.845   7.964
  428    HB2  ARG  66           2HB      ARG  66   6.896  -2.679  10.583
  429    HB3  ARG  66           1HB      ARG  66   6.952  -1.068   9.870
  430    HG2  ARG  66           2HG      ARG  66   4.925  -1.817   8.460
  431    HG3  ARG  66           1HG      ARG  66   4.785  -3.154   9.602
  432    HD2  ARG  66           2HD      ARG  66   5.159  -0.791  11.135
  433    HD3  ARG  66           1HD      ARG  66   3.924  -0.433   9.927
  434    HE   ARG  66           HE       ARG  66   2.480  -1.830  11.141
  435   HH11  ARG  66          1HH1      ARG  66   5.000  -1.701  13.135
  436   HH12  ARG  66          2HH1      ARG  66   4.982  -3.351  13.660
  437   HH21  ARG  66          1HH2      ARG  66   2.785  -4.392  11.189
  438   HH22  ARG  66          2HH2      ARG  66   3.729  -4.874  12.559
  439    H    ASN  67           H        ASN  67   9.528  -2.144   9.753
  440    HA   ASN  67           HA       ASN  67  10.668  -4.861   9.533
  441    HB2  ASN  67           2HB      ASN  67  12.695  -3.817  10.438
  442    HB3  ASN  67           1HB      ASN  67  12.066  -2.823   9.129
  443   HD21  ASN  67          1HD2      ASN  67  13.109  -2.707  12.357
  444   HD22  ASN  67          2HD2      ASN  67  12.431  -1.214  12.784
  445    HA   PRO  68           HA       PRO  68   9.642  -5.960  13.675
  446    HB2  PRO  68           2HB      PRO  68  11.868  -7.426  14.380
  447    HB3  PRO  68           1HB      PRO  68  10.610  -8.013  13.278
  448    HG2  PRO  68           2HG      PRO  68  13.369  -7.097  12.670
  449    HG3  PRO  68           1HG      PRO  68  12.314  -8.169  11.738
  450    HD2  PRO  68           2HD      PRO  68  12.834  -5.428  11.208
  451    HD3  PRO  68           1HD      PRO  68  11.607  -6.440  10.425
  452    H    TRP  69           H        TRP  69  11.334  -3.388  13.291
  453    HA   TRP  69           HA       TRP  69  12.226  -3.223  16.126
  454    HB2  TRP  69           2HB      TRP  69  13.791  -1.887  13.925
  455    HB3  TRP  69           1HB      TRP  69  14.304  -2.275  15.569
  456    HD1  TRP  69           HD       TRP  69  13.754  -5.167  15.957
  457    HE1  TRP  69           1HE      TRP  69  14.806  -7.029  14.530
  458    HE3  TRP  69           3HE      TRP  69  14.997  -2.488  11.791
  459    HZ2  TRP  69           2HZ      TRP  69  16.006  -7.350  11.971
  460    HZ3  TRP  69           3HZ      TRP  69  16.090  -3.610   9.869
  461    HH2  TRP  69           HH       TRP  69  16.588  -6.037   9.961
  462    H    ASN  70           H        ASN  70  10.375  -1.901  13.632
  463    HA   ASN  70           HA       ASN  70  10.562   0.874  14.620
  464    HB2  ASN  70           2HB      ASN  70   9.507  -0.471  12.237
  465    HB3  ASN  70           1HB      ASN  70   8.427   0.777  12.861
  466   HD21  ASN  70          1HD2      ASN  70   9.922   1.036  10.371
  467   HD22  ASN  70          2HD2      ASN  70  11.012   2.322  10.568
  468    H    GLY  71           H        GLY  71   9.437   1.353  16.445
  469    HA2  GLY  71           2HA      GLY  71   6.661   0.298  16.677
  470    HA3  GLY  71           1HA      GLY  71   7.759   0.139  18.049
  Start of MODEL    2
    1    H    GLY   1           1HT      GLY   1 -15.706  -8.421   8.662
    2    HA2  GLY   1           1HA      GLY   1 -16.034  -8.300   6.462
    3    HA3  GLY   1           2HA      GLY   1 -16.173  -6.573   6.790
    4    H    LYS   2           H        LYS   2 -13.958  -9.110   5.717
    5    HA   LYS   2           HA       LYS   2 -11.795  -7.242   5.128
    6    HB2  LYS   2           2HB      LYS   2 -12.193 -10.070   4.105
    7    HB3  LYS   2           1HB      LYS   2 -10.683  -9.160   4.127
    8    HG2  LYS   2           2HG      LYS   2 -11.016  -8.985   6.670
    9    HG3  LYS   2           1HG      LYS   2 -12.240 -10.242   6.479
   10    HD2  LYS   2           2HD      LYS   2  -9.671 -10.783   5.116
   11    HD3  LYS   2           1HD      LYS   2  -9.591 -10.757   6.878
   12    HE2  LYS   2           2HE      LYS   2 -11.642 -12.291   6.845
   13    HE3  LYS   2           1HE      LYS   2 -11.325 -12.502   5.123
   14    HZ1  LYS   2           3HZ      LYS   2  -9.495 -13.145   7.368
   15    HZ2  LYS   2           1HZ      LYS   2  -9.040 -13.185   5.735
   16    HZ3  LYS   2           2HZ      LYS   2 -10.240 -14.242   6.306
   17    H    GLU   3           H        GLU   3 -13.036  -5.702   3.798
   18    HA   GLU   3           HA       GLU   3 -12.897  -6.407   0.960
   19    HB2  GLU   3           2HB      GLU   3 -15.357  -5.597   0.673
   20    HB3  GLU   3           1HB      GLU   3 -15.077  -7.257   1.195
   21    HG2  GLU   3           2HG      GLU   3 -15.228  -6.357   3.597
   22    HG3  GLU   3           1HG      GLU   3 -15.889  -4.887   2.882
   23    H    CYS   4           H        CYS   4 -11.658  -4.434   2.717
   24    HA   CYS   4           HA       CYS   4 -12.620  -1.968   1.325
   25    HB2  CYS   4           2HB      CYS   4 -11.823  -2.295   4.228
   26    HB3  CYS   4           1HB      CYS   4 -11.900  -0.724   3.439
   27    H    ASP   5           H        ASP   5 -10.945  -2.156  -0.214
   28    HA   ASP   5           HA       ASP   5  -8.161  -2.455   0.644
   29    HB2  ASP   5           2HB      ASP   5  -9.288  -3.174  -1.621
   30    HB3  ASP   5           1HB      ASP   5  -8.972  -1.505  -2.091
   31    H    CYS   6           H        CYS   6 -10.378   0.135   0.307
   32    HA   CYS   6           HA       CYS   6  -8.147   2.061   0.715
   33    HB2  CYS   6           2HB      CYS   6 -10.463   2.542  -1.179
   34    HB3  CYS   6           1HB      CYS   6  -9.124   3.642  -0.856
   35    H    SER   7           H        SER   7  -8.733   3.839   2.049
   36    HA   SER   7           HA       SER   7 -11.377   3.514   3.402
   37    HB2  SER   7           2HB      SER   7  -8.904   4.921   4.445
   38    HB3  SER   7           1HB      SER   7 -10.371   4.556   5.349
   39    HG   SER   7           HG       SER   7  -8.794   2.571   4.084
   40    H    SER   8           H        SER   8 -10.192   5.277   0.983
   41    HA   SER   8           HA       SER   8 -11.266   7.876   1.965
   42    HB2  SER   8           2HB      SER   8  -9.573   7.154  -0.437
   43    HB3  SER   8           1HB      SER   8 -10.257   8.757  -0.190
   44    HG   SER   8           HG       SER   8  -8.037   7.764   0.822
   45    HA   PRO   9           HA       PRO   9 -14.883   6.855  -0.442
   46    HB2  PRO   9           2HB      PRO   9 -16.279   9.129   0.216
   47    HB3  PRO   9           1HB      PRO   9 -16.140   7.723   1.286
   48    HG2  PRO   9           2HG      PRO   9 -14.780  10.371   1.479
   49    HG3  PRO   9           1HG      PRO   9 -15.177   9.216   2.763
   50    HD2  PRO   9           2HD      PRO   9 -12.625   9.581   1.591
   51    HD3  PRO   9           1HD      PRO   9 -13.113   8.225   2.630
   52    H    GLU  10           H        GLU  10 -13.425  10.117  -0.508
   53    HA   GLU  10           HA       GLU  10 -14.578  10.905  -3.015
   54    HB2  GLU  10           2HB      GLU  10 -12.955  12.697  -3.004
   55    HB3  GLU  10           1HB      GLU  10 -13.491  12.452  -1.341
   56    HG2  GLU  10           2HG      GLU  10 -11.490  10.966  -0.989
   57    HG3  GLU  10           1HG      GLU  10 -10.926  11.435  -2.593
   58    H    ASN  11           H        ASN  11 -12.085   8.682  -2.231
   59    HA   ASN  11           HA       ASN  11 -10.595   8.910  -4.712
   60    HB2  ASN  11           2HB      ASN  11  -9.551   7.937  -2.721
   61    HB3  ASN  11           1HB      ASN  11 -10.757   6.650  -2.696
   62   HD21  ASN  11          1HD2      ASN  11  -9.256   4.913  -3.115
   63   HD22  ASN  11          2HD2      ASN  11  -8.441   4.757  -4.596
   64    HA   PRO  12           HA       PRO  12 -13.832   6.722  -6.928
   65    HB2  PRO  12           2HB      PRO  12 -12.791   7.251  -9.416
   66    HB3  PRO  12           1HB      PRO  12 -13.773   8.408  -8.500
   67    HG2  PRO  12           2HG      PRO  12 -10.828   8.407  -8.975
   68    HG3  PRO  12           1HG      PRO  12 -11.912   9.770  -8.650
   69    HD2  PRO  12           2HD      PRO  12 -10.182   8.545  -6.774
   70    HD3  PRO  12           1HD      PRO  12 -11.500   9.675  -6.397
   71    H    CYS  13           H        CYS  13 -10.388   6.207  -6.986
   72    HA   CYS  13           HA       CYS  13 -10.324   3.948  -8.753
   73    HB2  CYS  13           2HB      CYS  13  -8.388   5.410  -7.627
   74    HB3  CYS  13           1HB      CYS  13  -8.426   4.098  -6.454
   75    H    CYS  14           H        CYS  14 -11.452   4.348  -5.521
   76    HA   CYS  14           HA       CYS  14 -11.701   1.374  -5.303
   77    HB2  CYS  14           2HB      CYS  14 -10.622   3.354  -3.398
   78    HB3  CYS  14           1HB      CYS  14 -11.770   2.212  -2.703
   79    H    ASP  15           H        ASP  15 -13.792   0.773  -5.291
   80    HA   ASP  15           HA       ASP  15 -16.006   2.527  -5.285
   81    HB2  ASP  15           2HB      ASP  15 -15.778  -0.070  -5.810
   82    HB3  ASP  15           1HB      ASP  15 -16.299  -0.222  -4.130
   83    H    ALA  16           H        ALA  16 -17.020   3.606  -3.644
   84    HA   ALA  16           HA       ALA  16 -15.955   3.582  -0.977
   85    HB1  ALA  16           1HB      ALA  16 -18.235   4.811  -0.526
   86    HB2  ALA  16           2HB      ALA  16 -18.376   4.787  -2.284
   87    HB3  ALA  16           3HB      ALA  16 -17.007   5.595  -1.520
   88    H    ALA  17           H        ALA  17 -18.969   2.238  -2.354
   89    HA   ALA  17           HA       ALA  17 -20.015   1.142   0.037
   90    HB1  ALA  17           1HB      ALA  17 -21.591   0.829  -1.574
   91    HB2  ALA  17           2HB      ALA  17 -20.760  -0.699  -1.860
   92    HB3  ALA  17           3HB      ALA  17 -20.387   0.706  -2.857
   93    H    THR  18           H        THR  18 -18.043  -0.535  -2.447
   94    HA   THR  18           HA       THR  18 -17.512  -2.707  -0.518
   95    HB   THR  18           HB       THR  18 -16.543  -3.889  -2.370
   96    HG1  THR  18           1HG      THR  18 -15.357  -2.633  -3.570
   97   HG21  THR  18          3HG2      THR  18 -18.462  -4.173  -3.584
   98   HG22  THR  18          1HG2      THR  18 -18.646  -2.446  -3.888
   99   HG23  THR  18          2HG2      THR  18 -19.133  -3.124  -2.335
  100    H    CYS  19           H        CYS  19 -16.318   0.249  -0.723
  101    HA   CYS  19           HA       CYS  19 -14.165   1.244  -0.541
  102    HB2  CYS  19           2HB      CYS  19 -12.960  -0.035   1.469
  103    HB3  CYS  19           1HB      CYS  19 -14.357   0.994   1.735
  104    H    LYS  20           H        LYS  20 -14.166  -0.857  -2.593
  105    HA   LYS  20           HA       LYS  20 -11.288  -1.626  -2.329
  106    HB2  LYS  20           2HB      LYS  20 -13.525  -3.371  -3.404
  107    HB3  LYS  20           1HB      LYS  20 -11.807  -3.771  -3.471
  108    HG2  LYS  20           2HG      LYS  20 -12.538  -3.001  -0.782
  109    HG3  LYS  20           1HG      LYS  20 -13.591  -4.299  -1.349
  110    HD2  LYS  20           2HD      LYS  20 -10.619  -4.465  -1.784
  111    HD3  LYS  20           1HD      LYS  20 -11.316  -4.928  -0.231
  112    HE2  LYS  20           2HE      LYS  20 -12.639  -6.643  -1.222
  113    HE3  LYS  20           1HE      LYS  20 -12.357  -6.023  -2.848
  114    HZ1  LYS  20           3HZ      LYS  20 -10.060  -6.632  -2.690
  115    HZ2  LYS  20           1HZ      LYS  20 -11.002  -7.990  -2.309
  116    HZ3  LYS  20           2HZ      LYS  20 -10.242  -7.109  -1.070
  117    H    LEU  21           H        LEU  21 -10.407  -2.271  -4.592
  118    HA   LEU  21           HA       LEU  21 -10.717  -0.050  -6.344
  119    HB2  LEU  21           2HB      LEU  21  -9.561  -2.812  -6.779
  120    HB3  LEU  21           1HB      LEU  21  -9.505  -1.548  -8.008
  121    HG   LEU  21           HG       LEU  21  -8.649  -0.584  -5.387
  122   HD11  LEU  21          1HD1      LEU  21  -7.904  -3.006  -5.311
  123   HD12  LEU  21          2HD1      LEU  21  -6.599  -1.825  -5.208
  124   HD13  LEU  21          3HD1      LEU  21  -6.907  -2.667  -6.727
  125   HD21  LEU  21          3HD2      LEU  21  -8.133  -0.199  -8.188
  126   HD22  LEU  21          1HD2      LEU  21  -6.602  -0.490  -7.362
  127   HD23  LEU  21          2HD2      LEU  21  -7.651   0.825  -6.834
  128    H    ARG  22           H        ARG  22 -12.396   0.416  -7.640
  129    HA   ARG  22           HA       ARG  22 -14.426  -1.597  -8.248
  130    HB2  ARG  22           2HB      ARG  22 -14.553   1.088  -7.893
  131    HB3  ARG  22           1HB      ARG  22 -14.492   1.013  -9.654
  132    HG2  ARG  22           2HG      ARG  22 -16.304  -0.959  -8.419
  133    HG3  ARG  22           1HG      ARG  22 -16.784   0.722  -8.181
  134    HD2  ARG  22           2HD      ARG  22 -16.032   0.700 -10.833
  135    HD3  ARG  22           1HD      ARG  22 -16.776  -0.888 -10.639
  136    HE   ARG  22           HE       ARG  22 -18.717   0.523  -9.561
  137   HH11  ARG  22          1HH2      ARG  22 -17.947   0.305 -12.688
  138   HH12  ARG  22          2HH2      ARG  22 -18.509   1.867 -13.183
  139   HH21  ARG  22          1HH1      ARG  22 -18.879   3.053  -9.946
  140   HH22  ARG  22          2HH1      ARG  22 -19.038   3.421 -11.631
  141    HA   PRO  23           HA       PRO  23 -12.760  -0.898 -12.671
  142    HB2  PRO  23           2HB      PRO  23 -10.420   0.519 -12.941
  143    HB3  PRO  23           1HB      PRO  23 -12.028   1.264 -12.977
  144    HG2  PRO  23           2HG      PRO  23  -9.983   1.324 -10.812
  145    HG3  PRO  23           1HG      PRO  23 -11.280   2.478 -11.162
  146    HD2  PRO  23           2HD      PRO  23 -11.299   0.495  -9.134
  147    HD3  PRO  23           1HD      PRO  23 -12.690   1.462  -9.669
  148    H    GLY  24           H        GLY  24 -10.162  -1.205 -13.720
  149    HA2  GLY  24           2HA      GLY  24  -9.411  -3.787 -12.501
  150    HA3  GLY  24           1HA      GLY  24  -8.828  -3.164 -14.045
  151    H    ALA  25           H        ALA  25  -8.719  -0.869 -11.514
  152    HA   ALA  25           HA       ALA  25  -5.845  -0.698 -11.634
  153    HB1  ALA  25           1HB      ALA  25  -8.009   0.612 -10.038
  154    HB2  ALA  25           2HB      ALA  25  -6.759   1.341 -11.045
  155    HB3  ALA  25           3HB      ALA  25  -6.354   0.728  -9.442
  156    H    GLN  26           H        GLN  26  -4.295  -1.498 -10.193
  157    HA   GLN  26           HA       GLN  26  -5.100  -3.792  -8.582
  158    HB2  GLN  26           2HB      GLN  26  -2.674  -2.774  -9.730
  159    HB3  GLN  26           1HB      GLN  26  -2.413  -3.049  -8.009
  160    HG2  GLN  26           2HG      GLN  26  -2.151  -5.232  -8.510
  161    HG3  GLN  26           1HG      GLN  26  -3.883  -5.273  -8.841
  162   HE21  GLN  26          1HE2      GLN  26  -4.441  -4.435 -11.189
  163   HE22  GLN  26          2HE2      GLN  26  -3.402  -4.957 -12.427
  164    H    CYS  27           H        CYS  27  -4.293  -0.431  -7.979
  165    HA   CYS  27           HA       CYS  27  -4.974  -0.865  -5.110
  166    HB2  CYS  27           2HB      CYS  27  -3.134   0.809  -4.567
  167    HB3  CYS  27           1HB      CYS  27  -2.590  -0.793  -5.060
  168    H    GLY  28           H        GLY  28  -6.406   0.651  -4.401
  169    HA2  GLY  28           2HA      GLY  28  -7.234   2.753  -6.246
  170    HA3  GLY  28           1HA      GLY  28  -7.984   2.389  -4.698
  171    H    GLU  29           H        GLU  29  -5.766   2.578  -3.010
  172    HA   GLU  29           HA       GLU  29  -4.564   5.235  -3.509
  173    HB2  GLU  29           2HB      GLU  29  -6.848   5.455  -2.326
  174    HB3  GLU  29           1HB      GLU  29  -6.042   4.746  -0.928
  175    HG2  GLU  29           2HG      GLU  29  -5.992   7.232  -0.880
  176    HG3  GLU  29           1HG      GLU  29  -4.373   6.535  -0.946
  177    H    GLY  30           H        GLY  30  -2.891   5.737  -1.809
  178    HA2  GLY  30           2HA      GLY  30  -1.897   4.363   0.264
  179    HA3  GLY  30           1HA      GLY  30  -1.515   3.233  -1.035
  180    H    LEU  31           H        LEU  31   0.724   3.902  -0.025
  181    HA   LEU  31           HA       LEU  31   1.715   6.435  -1.228
  182    HB2  LEU  31           2HB      LEU  31   3.815   5.047   0.121
  183    HB3  LEU  31           1HB      LEU  31   3.029   6.546   0.600
  184    HG   LEU  31           HG       LEU  31   2.015   3.767   1.270
  185   HD11  LEU  31          1HD1      LEU  31   2.632   4.684   3.639
  186   HD12  LEU  31          2HD1      LEU  31   3.690   5.780   2.749
  187   HD13  LEU  31          3HD1      LEU  31   3.914   4.036   2.616
  188   HD21  LEU  31          3HD2      LEU  31   0.849   6.434   1.372
  189   HD22  LEU  31          1HD2      LEU  31   0.920   5.705   2.976
  190   HD23  LEU  31          2HD2      LEU  31   0.081   4.873   1.667
  191    H    CYS  32           H        CYS  32   2.080   2.941  -1.403
  192    HA   CYS  32           HA       CYS  32   4.231   3.177  -3.418
  193    HB2  CYS  32           2HB      CYS  32   4.059   1.363  -1.575
  194    HB3  CYS  32           1HB      CYS  32   2.834   0.632  -2.609
  195    H    CYS  33           H        CYS  33   0.962   3.530  -3.497
  196    HA   CYS  33           HA       CYS  33   0.468   1.927  -5.910
  197    HB2  CYS  33           2HB      CYS  33  -1.326   2.201  -4.247
  198    HB3  CYS  33           1HB      CYS  33  -1.295   3.946  -4.490
  199    H    GLU  34           H        GLU  34   1.271   2.685  -7.800
  200    HA   GLU  34           HA       GLU  34   1.305   5.641  -8.242
  201    HB2  GLU  34           2HB      GLU  34   3.479   4.320  -8.397
  202    HB3  GLU  34           1HB      GLU  34   2.801   3.538  -9.824
  203    HG2  GLU  34           2HG      GLU  34   4.065   5.368 -10.667
  204    HG3  GLU  34           1HG      GLU  34   2.386   5.903 -10.727
  205    H    GLN  35           H        GLN  35  -0.354   6.341  -9.507
  206    HA   GLN  35           HA       GLN  35  -1.975   6.374 -11.207
  207    HB2  GLN  35           2HB      GLN  35   0.329   5.293 -12.348
  208    HB3  GLN  35           1HB      GLN  35  -0.935   4.133 -12.764
  209    HG2  GLN  35           2HG      GLN  35  -1.693   5.534 -14.349
  210    HG3  GLN  35           1HG      GLN  35  -2.018   6.748 -13.112
  211   HE21  GLN  35          1HE2      GLN  35  -0.186   8.254 -12.567
  212   HE22  GLN  35          2HE2      GLN  35   1.002   8.570 -13.739
  213    H    CYS  36           H        CYS  36  -2.454   4.786  -8.897
  214    HA   CYS  36           HA       CYS  36  -3.949   3.149  -8.140
  215    HB2  CYS  36           2HB      CYS  36  -4.850   3.579 -10.975
  216    HB3  CYS  36           1HB      CYS  36  -5.543   2.288 -10.012
  217    H    LYS  37           H        LYS  37  -1.282   2.405  -9.243
  218    HA   LYS  37           HA       LYS  37  -1.918  -0.461  -9.787
  219    HB2  LYS  37           2HB      LYS  37  -0.879   1.273 -11.690
  220    HB3  LYS  37           1HB      LYS  37   0.553   0.461 -11.057
  221    HG2  LYS  37           2HG      LYS  37   0.008  -1.468 -12.089
  222    HG3  LYS  37           1HG      LYS  37  -1.633  -1.415 -11.443
  223    HD2  LYS  37           2HD      LYS  37  -1.441   0.626 -13.415
  224    HD3  LYS  37           1HD      LYS  37  -0.755  -0.841 -14.113
  225    HE2  LYS  37           2HE      LYS  37  -2.763  -2.098 -13.577
  226    HE3  LYS  37           1HE      LYS  37  -3.440  -0.720 -12.710
  227    HZ1  LYS  37           3HZ      LYS  37  -4.365  -0.849 -14.916
  228    HZ2  LYS  37           1HZ      LYS  37  -2.818  -0.841 -15.612
  229    HZ3  LYS  37           2HZ      LYS  37  -3.388   0.536 -14.796
  230    H    PHE  38           H        PHE  38  -0.200  -1.934  -9.101
  231    HA   PHE  38           HA       PHE  38   1.100  -1.016  -6.650
  232    HB2  PHE  38           2HB      PHE  38   0.955  -3.648  -8.115
  233    HB3  PHE  38           1HB      PHE  38   2.050  -3.430  -6.751
  234    HD1  PHE  38           1HD      PHE  38   0.466  -1.628  -5.004
  235    HD2  PHE  38           2HD      PHE  38  -0.740  -5.053  -7.299
  236    HE1  PHE  38           1HE      PHE  38  -1.422  -2.012  -3.443
  237    HE2  PHE  38           2HE      PHE  38  -2.628  -5.434  -5.738
  238    HZ   PHE  38           HZ       PHE  38  -2.968  -3.916  -3.808
  239    H    SER  39           H        SER  39   3.078  -0.060  -6.638
  240    HA   SER  39           HA       SER  39   4.720   0.157  -8.976
  241    HB2  SER  39           2HB      SER  39   5.532   0.528  -6.075
  242    HB3  SER  39           1HB      SER  39   6.373   1.169  -7.482
  243    HG   SER  39           HG       SER  39   5.078   2.796  -6.802
  244    H    ARG  40           H        ARG  40   6.911  -0.721  -6.589
  245    HA   ARG  40           HA       ARG  40   6.919  -3.587  -7.373
  246    HB2  ARG  40           2HB      ARG  40   9.279  -1.695  -7.633
  247    HB3  ARG  40           1HB      ARG  40   9.377  -3.448  -7.800
  248    HG2  ARG  40           2HG      ARG  40   7.607  -3.254  -9.618
  249    HG3  ARG  40           1HG      ARG  40   7.859  -1.510  -9.557
  250    HD2  ARG  40           2HD      ARG  40   9.260  -2.445 -11.316
  251    HD3  ARG  40           1HD      ARG  40  10.290  -1.889  -9.997
  252    HE   ARG  40           HE       ARG  40   9.715  -4.615  -9.509
  253   HH11  ARG  40          1HH2      ARG  40  12.211  -2.726 -10.456
  254   HH12  ARG  40          2HH2      ARG  40  12.959  -3.869 -11.522
  255   HH21  ARG  40          1HH1      ARG  40  10.276  -6.066 -11.479
  256   HH22  ARG  40          2HH1      ARG  40  11.864  -5.761 -12.100
  257    H    ALA  41           H        ALA  41   8.019  -4.921  -5.815
  258    HA   ALA  41           HA       ALA  41   7.904  -3.925  -3.107
  259    HB1  ALA  41           1HB      ALA  41   8.119  -6.118  -2.516
  260    HB2  ALA  41           2HB      ALA  41   9.500  -6.367  -3.585
  261    HB3  ALA  41           3HB      ALA  41   7.861  -6.425  -4.233
  262    H    GLY  42           H        GLY  42   9.836  -4.056  -1.609
  263    HA2  GLY  42           2HA      GLY  42  12.048  -3.436  -1.077
  264    HA3  GLY  42           1HA      GLY  42  12.497  -3.860  -2.733
  265    H    LYS  43           H        LYS  43   9.852  -1.680  -2.128
  266    HA   LYS  43           HA       LYS  43  11.534   0.533  -3.269
  267    HB2  LYS  43           2HB      LYS  43   9.848   0.416  -4.809
  268    HB3  LYS  43           1HB      LYS  43   8.740  -0.366  -3.688
  269    HG2  LYS  43           2HG      LYS  43   8.312   1.799  -2.587
  270    HG3  LYS  43           1HG      LYS  43   9.436   2.587  -3.692
  271    HD2  LYS  43           2HD      LYS  43   7.240   0.961  -4.896
  272    HD3  LYS  43           1HD      LYS  43   6.807   2.516  -4.184
  273    HE2  LYS  43           2HE      LYS  43   9.214   2.813  -5.740
  274    HE3  LYS  43           1HE      LYS  43   7.965   2.054  -6.727
  275    HZ1  LYS  43           3HZ      LYS  43   6.895   3.970  -6.865
  276    HZ2  LYS  43           1HZ      LYS  43   8.178   4.728  -6.054
  277    HZ3  LYS  43           2HZ      LYS  43   6.850   4.136  -5.174
  278    H    ILE  44           H        ILE  44  12.134   2.032  -1.764
  279    HA   ILE  44           HA       ILE  44  11.081   2.172   0.870
  280    HB   ILE  44           HB       ILE  44  12.848   3.873  -0.816
  281   HG12  ILE  44          2HG1      ILE  44  13.611   2.058   0.737
  282   HG13  ILE  44          1HG1      ILE  44  14.303   3.637   1.119
  283   HG21  ILE  44          1HG2      ILE  44  11.604   5.716  -0.044
  284   HG22  ILE  44          2HG2      ILE  44  12.854   5.550   1.188
  285   HG23  ILE  44          3HG2      ILE  44  11.229   4.938   1.493
  286   HD11  ILE  44          3HD1      ILE  44  11.712   2.980   2.423
  287   HD12  ILE  44          1HD1      ILE  44  13.107   3.844   3.066
  288   HD13  ILE  44          2HD1      ILE  44  13.122   2.082   2.985
  289    H    CYS  45           H        CYS  45   8.870   2.341   0.996
  290    HA   CYS  45           HA       CYS  45   7.711   4.859  -0.104
  291    HB2  CYS  45           2HB      CYS  45   5.498   3.344   0.180
  292    HB3  CYS  45           1HB      CYS  45   6.420   3.409  -1.317
  293    H    ARG  46           H        ARG  46   8.887   3.779   2.603
  294    HA   ARG  46           HA       ARG  46   7.061   5.352   4.228
  295    HB2  ARG  46           2HB      ARG  46   6.849   2.443   4.185
  296    HB3  ARG  46           1HB      ARG  46   7.192   3.059   5.800
  297    HG2  ARG  46           2HG      ARG  46   5.048   4.311   4.087
  298    HG3  ARG  46           1HG      ARG  46   4.706   2.901   5.091
  299    HD2  ARG  46           2HD      ARG  46   6.184   4.809   6.646
  300    HD3  ARG  46           1HD      ARG  46   4.809   5.623   5.901
  301    HE   ARG  46           HE       ARG  46   4.152   3.060   7.169
  302   HH11  ARG  46          1HH1      ARG  46   3.194   6.204   6.786
  303   HH12  ARG  46          2HH1      ARG  46   2.680   6.458   8.420
  304   HH21  ARG  46          1HH2      ARG  46   4.041   3.492   9.590
  305   HH22  ARG  46          2HH2      ARG  46   3.160   4.923  10.006
  306    H    ILE  47           H        ILE  47   8.590   6.586   5.217
  307    HA   ILE  47           HA       ILE  47  11.200   5.455   5.923
  308    HB   ILE  47           HB       ILE  47  10.677   7.888   5.149
  309   HG12  ILE  47          2HG1      ILE  47  12.341   8.288   7.477
  310   HG13  ILE  47          1HG1      ILE  47  12.702   6.727   6.736
  311   HG21  ILE  47          1HG2      ILE  47   8.894   8.245   6.870
  312   HG22  ILE  47          2HG2      ILE  47  10.172   9.459   6.940
  313   HG23  ILE  47          3HG2      ILE  47  10.134   8.149   8.121
  314   HD11  ILE  47          3HD1      ILE  47  12.917   9.480   5.551
  315   HD12  ILE  47          1HD1      ILE  47  12.647   8.094   4.494
  316   HD13  ILE  47          2HD1      ILE  47  14.084   8.158   5.513
  317    H    ALA  48           H        ALA  48  11.996   5.534   8.196
  318    HA   ALA  48           HA       ALA  48   9.748   5.035  10.106
  319    HB1  ALA  48           1HB      ALA  48  12.543   4.010  10.519
  320    HB2  ALA  48           2HB      ALA  48  11.442   3.155   9.437
  321    HB3  ALA  48           3HB      ALA  48  11.023   3.365  11.138
  322    H    ARG  49           H        ARG  49   9.942   5.918  12.217
  323    HA   ARG  49           HA       ARG  49  11.909   8.157  12.397
  324    HB2  ARG  49           2HB      ARG  49   9.440   7.798  14.104
  325    HB3  ARG  49           1HB      ARG  49  10.366   9.273  13.825
  326    HG2  ARG  49           2HG      ARG  49   9.629   8.430  11.265
  327    HG3  ARG  49           1HG      ARG  49   8.195   8.137  12.251
  328    HD2  ARG  49           2HD      ARG  49   7.780  10.347  12.473
  329    HD3  ARG  49           1HD      ARG  49   9.461  10.694  12.877
  330    HE   ARG  49           HE       ARG  49   9.159  10.136  10.054
  331   HH11  ARG  49          1HH2      ARG  49  10.973  12.238  11.076
  332   HH12  ARG  49          2HH2      ARG  49  10.143  13.700  10.655
  333   HH21  ARG  49          1HH1      ARG  49   7.096  12.131  10.126
  334   HH22  ARG  49          2HH1      ARG  49   7.949  13.639  10.117
  335    H    GLY  50           H        GLY  50  13.516   7.972  13.887
  336    HA2  GLY  50           2HA      GLY  50  13.791   7.403  16.410
  337    HA3  GLY  50           1HA      GLY  50  13.273   5.794  15.912
  338    H    ASP  51           H        ASP  51  14.832   4.401  15.177
  339    HA   ASP  51           HA       ASP  51  17.306   5.398  13.966
  340    HB2  ASP  51           2HB      ASP  51  17.161   4.786  16.806
  341    HB3  ASP  51           1HB      ASP  51  18.321   3.744  15.982
  342    H    TRP  52           H        TRP  52  15.318   3.713  12.932
  343    HA   TRP  52           HA       TRP  52  16.819   1.133  12.798
  344    HB2  TRP  52           2HB      TRP  52  14.273   0.341  12.218
  345    HB3  TRP  52           1HB      TRP  52  14.996   0.223  13.820
  346    HD1  TRP  52           HD       TRP  52  12.836   2.620  11.732
  347    HE1  TRP  52           1HE      TRP  52  11.349   3.988  13.334
  348    HE3  TRP  52           3HE      TRP  52  14.626   0.960  16.205
  349    HZ2  TRP  52           2HZ      TRP  52  10.972   4.328  16.152
  350    HZ3  TRP  52           3HZ      TRP  52  13.690   1.816  18.334
  351    HH2  TRP  52           HH       TRP  52  11.867   3.498  18.314
  352    H    ASN  53           H        ASN  53  15.474  -0.090  10.753
  353    HA   ASN  53           HA       ASN  53  16.323   1.522   8.468
  354    HB2  ASN  53           2HB      ASN  53  15.545  -0.503   7.164
  355    HB3  ASN  53           1HB      ASN  53  16.778  -0.838   8.379
  356   HD21  ASN  53          1HD2      ASN  53  16.067  -3.057   8.712
  357   HD22  ASN  53          2HD2      ASN  53  14.596  -3.415   9.476
  358    H    ASP  54           H        ASP  54  14.959   2.175   6.723
  359    HA   ASP  54           HA       ASP  54  12.382   3.210   7.497
  360    HB2  ASP  54           2HB      ASP  54  13.513   2.825   4.707
  361    HB3  ASP  54           1HB      ASP  54  12.207   3.919   5.163
  362    H    ASP  55           H        ASP  55  11.153   2.424   4.824
  363    HA   ASP  55           HA       ASP  55  10.539  -0.433   5.401
  364    HB2  ASP  55           2HB      ASP  55   8.591   1.858   5.147
  365    HB3  ASP  55           1HB      ASP  55   8.101   0.194   4.821
  366    H    ARG  56           H        ARG  56  10.124  -1.649   3.532
  367    HA   ARG  56           HA       ARG  56  10.488  -0.163   0.962
  368    HB2  ARG  56           2HB      ARG  56  11.050  -3.094   1.426
  369    HB3  ARG  56           1HB      ARG  56  11.571  -2.088   0.073
  370    HG2  ARG  56           2HG      ARG  56  12.598  -0.688   2.175
  371    HG3  ARG  56           1HG      ARG  56  12.721  -2.339   2.784
  372    HD2  ARG  56           2HD      ARG  56  13.826  -2.980   0.615
  373    HD3  ARG  56           1HD      ARG  56  13.848  -1.271   0.181
  374    HE   ARG  56           HE       ARG  56  15.625  -0.961   1.709
  375   HH11  ARG  56          1HH1      ARG  56  16.371  -3.817   1.177
  376   HH12  ARG  56          2HH1      ARG  56  16.476  -4.467   2.779
  377   HH21  ARG  56          1HH2      ARG  56  14.733  -1.849   4.240
  378   HH22  ARG  56          2HH2      ARG  56  15.549  -3.352   4.515
  379    H    CYS  57           H        CYS  57   9.025  -0.452  -0.646
  380    HA   CYS  57           HA       CYS  57   6.392  -1.228  -0.170
  381    HB2  CYS  57           2HB      CYS  57   7.408  -0.054  -2.247
  382    HB3  CYS  57           1HB      CYS  57   7.728  -1.680  -2.834
  383    H    THR  58           H        THR  58   5.332  -3.177  -0.216
  384    HA   THR  58           HA       THR  58   6.946  -5.595  -0.018
  385    HB   THR  58           HB       THR  58   4.105  -6.084  -0.233
  386    HG1  THR  58           1HG      THR  58   3.988  -4.736   1.908
  387   HG21  THR  58          3HG2      THR  58   4.916  -7.600   1.221
  388   HG22  THR  58          1HG2      THR  58   4.926  -6.313   2.427
  389   HG23  THR  58          2HG2      THR  58   6.378  -6.650   1.486
  390    H    GLY  59           H        GLY  59   5.477  -3.880  -2.562
  391    HA2  GLY  59           2HA      GLY  59   5.743  -4.466  -4.876
  392    HA3  GLY  59           1HA      GLY  59   6.018  -6.140  -4.395
  393    H    GLN  60           H        GLN  60   3.832  -6.755  -2.893
  394    HA   GLN  60           HA       GLN  60   1.652  -6.571  -4.904
  395    HB2  GLN  60           2HB      GLN  60   2.197  -8.428  -2.584
  396    HB3  GLN  60           1HB      GLN  60   0.634  -8.391  -3.400
  397    HG2  GLN  60           2HG      GLN  60   2.260  -8.536  -5.555
  398    HG3  GLN  60           1HG      GLN  60   3.255  -9.392  -4.377
  399   HE21  GLN  60          1HE2      GLN  60   1.958 -10.692  -6.642
  400   HE22  GLN  60          2HE2      GLN  60   0.826 -11.790  -6.013
  401    H    SER  61           H        SER  61   2.577  -4.741  -2.408
  402    HA   SER  61           HA       SER  61  -0.239  -4.302  -1.484
  403    HB2  SER  61           2HB      SER  61   2.328  -3.801   0.052
  404    HB3  SER  61           1HB      SER  61   0.698  -3.481   0.641
  405    HG   SER  61           HG       SER  61   0.387  -5.564   0.926
  406    H    ALA  62           H        ALA  62  -0.909  -2.107  -1.291
  407    HA   ALA  62           HA       ALA  62   0.614  -0.254  -3.017
  408    HB1  ALA  62           1HB      ALA  62  -1.670  -0.159  -3.535
  409    HB2  ALA  62           2HB      ALA  62  -1.471   1.226  -2.462
  410    HB3  ALA  62           3HB      ALA  62  -2.156  -0.277  -1.843
  411    H    ASP  63           H        ASP  63  -0.779  -0.237   0.285
  412    HA   ASP  63           HA       ASP  63   0.718   2.190   0.952
  413    HB2  ASP  63           2HB      ASP  63  -0.478   0.491   3.092
  414    HB3  ASP  63           1HB      ASP  63  -0.511   2.244   2.898
  415    H    CYS  64           H        CYS  64   2.840   2.093   1.413
  416    HA   CYS  64           HA       CYS  64   4.406  -0.207   1.727
  417    HB2  CYS  64           2HB      CYS  64   4.888   2.493   1.708
  418    HB3  CYS  64           1HB      CYS  64   5.265   2.081   3.374
  419    HA   PRO  65           HA       PRO  65   3.260  -1.741   5.647
  420    HB2  PRO  65           2HB      PRO  65   5.373  -3.469   5.885
  421    HB3  PRO  65           1HB      PRO  65   3.953  -3.804   4.895
  422    HG2  PRO  65           2HG      PRO  65   6.706  -3.019   4.070
  423    HG3  PRO  65           1HG      PRO  65   5.484  -3.943   3.177
  424    HD2  PRO  65           2HD      PRO  65   6.107  -1.237   2.758
  425    HD3  PRO  65           1HD      PRO  65   4.647  -2.063   2.179
  426    H    ARG  66           H        ARG  66   3.682  -0.985   7.694
  427    HA   ARG  66           HA       ARG  66   6.139   0.606   8.105
  428    HB2  ARG  66           2HB      ARG  66   4.947   1.137  10.323
  429    HB3  ARG  66           1HB      ARG  66   4.176   1.719   8.847
  430    HG2  ARG  66           2HG      ARG  66   2.373   0.378   9.132
  431    HG3  ARG  66           1HG      ARG  66   3.373  -1.012   9.556
  432    HD2  ARG  66           2HD      ARG  66   3.141  -0.644  11.784
  433    HD3  ARG  66           1HD      ARG  66   3.353   1.098  11.608
  434    HE   ARG  66           HE       ARG  66   0.952   1.256  11.058
  435   HH11  ARG  66          1HH2      ARG  66   1.957  -0.968  13.319
  436   HH12  ARG  66          2HH2      ARG  66   0.498  -1.900  13.330
  437   HH21  ARG  66          1HH1      ARG  66  -0.871  -0.289  10.585
  438   HH22  ARG  66          2HH1      ARG  66  -1.102  -1.516  11.785
  439    H    ASN  67           H        ASN  67   7.548   0.249   9.902
  440    HA   ASN  67           HA       ASN  67   8.003  -2.553  10.526
  441    HB2  ASN  67           2HB      ASN  67   9.907  -1.698  11.828
  442    HB3  ASN  67           1HB      ASN  67   9.844  -0.894  10.265
  443   HD21  ASN  67          1HD2      ASN  67   9.766  -0.381  13.688
  444   HD22  ASN  67          2HD2      ASN  67   9.458   1.286  13.648
  445    HA   PRO  68           HA       PRO  68   5.779  -2.791  14.314
  446    HB2  PRO  68           2HB      PRO  68   7.431  -4.428  15.790
  447    HB3  PRO  68           1HB      PRO  68   6.421  -4.997  14.450
  448    HG2  PRO  68           2HG      PRO  68   9.363  -4.603  14.556
  449    HG3  PRO  68           1HG      PRO  68   8.410  -5.648  13.490
  450    HD2  PRO  68           2HD      PRO  68   9.548  -3.134  12.821
  451    HD3  PRO  68           1HD      PRO  68   8.409  -4.071  11.839
  452    H    TRP  69           H        TRP  69   7.861  -0.541  14.159
  453    HA   TRP  69           HA       TRP  69   8.071  -0.128  17.098
  454    HB2  TRP  69           2HB      TRP  69  10.283   0.701  15.223
  455    HB3  TRP  69           1HB      TRP  69  10.341   0.501  16.977
  456    HD1  TRP  69           HD       TRP  69   9.306  -2.213  17.559
  457    HE1  TRP  69           1HE      TRP  69  10.349  -4.382  16.654
  458    HE3  TRP  69           3HE      TRP  69  11.806  -0.358  13.513
  459    HZ2  TRP  69           2HZ      TRP  69  12.007  -5.225  14.498
  460    HZ3  TRP  69           3HZ      TRP  69  13.102  -1.877  12.044
  461    HH2  TRP  69           HH       TRP  69  13.197  -4.306  12.537
  462    H    ASN  70           H        ASN  70   7.065   1.086  14.112
  463    HA   ASN  70           HA       ASN  70   6.940   3.842  15.264
  464    HB2  ASN  70           2HB      ASN  70   7.172   4.764  13.032
  465    HB3  ASN  70           1HB      ASN  70   8.515   3.656  13.315
  466   HD21  ASN  70          1HD2      ASN  70   7.845   4.165  10.660
  467   HD22  ASN  70          2HD2      ASN  70   7.088   2.809   9.980
  468    H    GLY  71           H        GLY  71   4.870   2.488  16.014
  469    HA2  GLY  71           2HA      GLY  71   2.508   3.317  15.679
  470    HA3  GLY  71           1HA      GLY  71   2.739   2.969  13.967
  Start of MODEL    3
    1    H    GLY   1           1HT      GLY   1  -6.759  -7.989   5.058
    2    HA2  GLY   1           1HA      GLY   1  -8.241  -6.904   3.799
    3    HA3  GLY   1           2HA      GLY   1  -7.723  -8.056   2.569
    4    H    LYS   2           H        LYS   2 -10.424  -6.802   3.966
    5    HA   LYS   2           HA       LYS   2 -11.967  -9.344   3.774
    6    HB2  LYS   2           2HB      LYS   2 -12.411  -6.738   5.187
    7    HB3  LYS   2           1HB      LYS   2 -13.807  -7.720   4.741
    8    HG2  LYS   2           2HG      LYS   2 -11.624  -9.263   5.967
    9    HG3  LYS   2           1HG      LYS   2 -12.324  -8.050   7.040
   10    HD2  LYS   2           2HD      LYS   2 -14.593  -9.070   5.984
   11    HD3  LYS   2           1HD      LYS   2 -13.559 -10.496   5.887
   12    HE2  LYS   2           2HE      LYS   2 -14.475 -10.692   8.035
   13    HE3  LYS   2           1HE      LYS   2 -12.932  -9.898   8.354
   14    HZ1  LYS   2           3HZ      LYS   2 -14.640  -7.847   7.807
   15    HZ2  LYS   2           1HZ      LYS   2 -14.128  -8.331   9.350
   16    HZ3  LYS   2           2HZ      LYS   2 -15.593  -8.917   8.720
   17    H    GLU   3           H        GLU   3 -13.484  -6.241   3.355
   18    HA   GLU   3           HA       GLU   3 -13.828  -6.839   0.445
   19    HB2  GLU   3           2HB      GLU   3 -15.908  -5.799   2.392
   20    HB3  GLU   3           1HB      GLU   3 -16.145  -5.964   0.651
   21    HG2  GLU   3           2HG      GLU   3 -16.460  -8.203   0.794
   22    HG3  GLU   3           1HG      GLU   3 -15.115  -8.404   1.918
   23    H    CYS   4           H        CYS   4 -12.246  -4.827   2.333
   24    HA   CYS   4           HA       CYS   4 -12.993  -2.441   0.697
   25    HB2  CYS   4           2HB      CYS   4 -13.459  -2.256   3.200
   26    HB3  CYS   4           1HB      CYS   4 -11.712  -2.312   3.433
   27    H    ASP   5           H        ASP   5 -11.374  -1.597  -0.520
   28    HA   ASP   5           HA       ASP   5  -8.610  -2.639  -0.052
   29    HB2  ASP   5           2HB      ASP   5 -10.064  -2.897  -2.327
   30    HB3  ASP   5           1HB      ASP   5  -9.286  -1.345  -2.642
   31    H    CYS   6           H        CYS   6 -10.354  -0.084   0.748
   32    HA   CYS   6           HA       CYS   6  -8.042   1.763   0.564
   33    HB2  CYS   6           2HB      CYS   6  -9.477   3.602  -0.226
   34    HB3  CYS   6           1HB      CYS   6  -9.530   2.268  -1.376
   35    H    SER   7           H        SER   7  -8.746   3.842   1.969
   36    HA   SER   7           HA       SER   7 -10.262   2.789   4.324
   37    HB2  SER   7           2HB      SER   7  -7.697   4.359   4.165
   38    HB3  SER   7           1HB      SER   7  -8.721   4.481   5.593
   39    HG   SER   7           HG       SER   7  -7.149   2.409   4.692
   40    H    SER   8           H        SER   8 -10.318   5.017   1.858
   41    HA   SER   8           HA       SER   8 -11.854   6.968   3.522
   42    HB2  SER   8           2HB      SER   8  -9.905   7.308   1.336
   43    HB3  SER   8           1HB      SER   8 -11.359   8.288   1.171
   44    HG   SER   8           HG       SER   8 -10.358   9.529   2.551
   45    HA   PRO   9           HA       PRO   9 -15.285   5.540   1.086
   46    HB2  PRO   9           2HB      PRO   9 -17.129   7.273   2.158
   47    HB3  PRO   9           1HB      PRO   9 -16.561   5.812   2.986
   48    HG2  PRO   9           2HG      PRO   9 -15.886   8.661   3.537
   49    HG3  PRO   9           1HG      PRO   9 -15.860   7.270   4.633
   50    HD2  PRO   9           2HD      PRO   9 -13.605   8.459   3.384
   51    HD3  PRO   9           1HD      PRO   9 -13.633   6.906   4.247
   52    H    GLU  10           H        GLU  10 -13.643   8.413   0.716
   53    HA   GLU  10           HA       GLU  10 -15.525   9.350  -1.416
   54    HB2  GLU  10           2HB      GLU  10 -14.980  10.893   0.608
   55    HB3  GLU  10           1HB      GLU  10 -13.402  11.084  -0.156
   56    HG2  GLU  10           2HG      GLU  10 -15.296  11.388  -2.225
   57    HG3  GLU  10           1HG      GLU  10 -15.917  12.321  -0.863
   58    H    ASN  11           H        ASN  11 -13.483   7.274  -1.669
   59    HA   ASN  11           HA       ASN  11 -11.430   8.638  -3.337
   60    HB2  ASN  11           2HB      ASN  11 -11.033   6.758  -1.474
   61    HB3  ASN  11           1HB      ASN  11 -11.359   5.696  -2.842
   62   HD21  ASN  11          1HD2      ASN  11  -9.091   5.008  -2.952
   63   HD22  ASN  11          2HD2      ASN  11  -7.886   6.053  -3.529
   64    HA   PRO  12           HA       PRO  12 -13.736   7.247  -6.869
   65    HB2  PRO  12           2HB      PRO  12 -11.908   8.077  -8.749
   66    HB3  PRO  12           1HB      PRO  12 -13.034   9.172  -7.928
   67    HG2  PRO  12           2HG      PRO  12 -10.103   8.822  -7.493
   68    HG3  PRO  12           1HG      PRO  12 -11.119  10.244  -7.203
   69    HD2  PRO  12           2HD      PRO  12 -10.192   8.443  -5.228
   70    HD3  PRO  12           1HD      PRO  12 -11.470   9.659  -5.015
   71    H    CYS  13           H        CYS  13 -10.326   6.459  -6.351
   72    HA   CYS  13           HA       CYS  13 -10.310   4.278  -8.281
   73    HB2  CYS  13           2HB      CYS  13  -8.342   5.747  -7.186
   74    HB3  CYS  13           1HB      CYS  13  -8.314   4.381  -6.066
   75    H    CYS  14           H        CYS  14 -11.863   4.601  -5.399
   76    HA   CYS  14           HA       CYS  14 -11.801   1.658  -4.951
   77    HB2  CYS  14           2HB      CYS  14 -10.346   2.475  -3.232
   78    HB3  CYS  14           1HB      CYS  14 -11.421   3.824  -2.871
   79    H    ASP  15           H        ASP  15 -13.870   1.287  -5.693
   80    HA   ASP  15           HA       ASP  15 -16.122   2.936  -5.495
   81    HB2  ASP  15           2HB      ASP  15 -15.704   0.460  -6.486
   82    HB3  ASP  15           1HB      ASP  15 -16.559   0.035  -5.004
   83    H    ALA  16           H        ALA  16 -16.959   3.847  -3.688
   84    HA   ALA  16           HA       ALA  16 -16.387   2.908  -1.028
   85    HB1  ALA  16           1HB      ALA  16 -16.928   5.268  -1.512
   86    HB2  ALA  16           2HB      ALA  16 -18.043   4.601  -0.319
   87    HB3  ALA  16           3HB      ALA  16 -18.558   4.797  -1.995
   88    H    ALA  17           H        ALA  17 -19.076   2.420  -3.267
   89    HA   ALA  17           HA       ALA  17 -21.017   1.352  -1.548
   90    HB1  ALA  17           1HB      ALA  17 -20.922   1.643  -4.197
   91    HB2  ALA  17           2HB      ALA  17 -22.024   0.489  -3.447
   92    HB3  ALA  17           3HB      ALA  17 -20.496  -0.067  -4.132
   93    H    THR  18           H        THR  18 -18.149  -0.223  -2.925
   94    HA   THR  18           HA       THR  18 -18.702  -2.580  -1.172
   95    HB   THR  18           HB       THR  18 -17.476  -3.924  -2.691
   96    HG1  THR  18           1HG      THR  18 -16.641  -1.617  -4.084
   97   HG21  THR  18          3HG2      THR  18 -18.628  -1.967  -4.654
   98   HG22  THR  18          1HG2      THR  18 -19.701  -2.797  -3.527
   99   HG23  THR  18          2HG2      THR  18 -18.715  -3.729  -4.654
  100    H    CYS  19           H        CYS  19 -16.687   0.140  -1.602
  101    HA   CYS  19           HA       CYS  19 -14.932   0.897  -0.212
  102    HB2  CYS  19           2HB      CYS  19 -16.168  -0.869   1.408
  103    HB3  CYS  19           1HB      CYS  19 -14.649  -1.729   1.166
  104    H    LYS  20           H        LYS  20 -14.850  -1.253  -2.585
  105    HA   LYS  20           HA       LYS  20 -11.931  -1.845  -2.255
  106    HB2  LYS  20           2HB      LYS  20 -14.064  -3.296  -3.842
  107    HB3  LYS  20           1HB      LYS  20 -12.340  -3.651  -3.961
  108    HG2  LYS  20           2HG      LYS  20 -12.785  -3.652  -1.224
  109    HG3  LYS  20           1HG      LYS  20 -14.250  -4.396  -1.867
  110    HD2  LYS  20           2HD      LYS  20 -13.028  -6.303  -1.951
  111    HD3  LYS  20           1HD      LYS  20 -12.279  -5.588  -3.378
  112    HE2  LYS  20           2HE      LYS  20 -10.454  -4.713  -2.085
  113    HE3  LYS  20           1HE      LYS  20 -11.261  -5.107  -0.568
  114    HZ1  LYS  20           3HZ      LYS  20  -9.448  -6.677  -1.532
  115    HZ2  LYS  20           1HZ      LYS  20 -10.717  -7.248  -2.501
  116    HZ3  LYS  20           2HZ      LYS  20 -10.841  -7.329  -0.809
  117    H    LEU  21           H        LEU  21 -11.072  -2.265  -4.732
  118    HA   LEU  21           HA       LEU  21 -10.918   0.330  -5.910
  119    HB2  LEU  21           2HB      LEU  21 -10.179  -2.437  -6.838
  120    HB3  LEU  21           1HB      LEU  21 -10.046  -1.065  -7.939
  121    HG   LEU  21           HG       LEU  21  -8.920  -0.539  -5.277
  122   HD11  LEU  21          1HD1      LEU  21  -8.452  -3.054  -5.832
  123   HD12  LEU  21          2HD1      LEU  21  -7.109  -2.030  -5.323
  124   HD13  LEU  21          3HD1      LEU  21  -7.336  -2.402  -7.033
  125   HD21  LEU  21          3HD2      LEU  21  -8.626   0.279  -7.997
  126   HD22  LEU  21          1HD2      LEU  21  -7.065  -0.333  -7.451
  127   HD23  LEU  21          2HD2      LEU  21  -7.858   0.971  -6.567
  128    H    ARG  22           H        ARG  22 -12.266   1.345  -7.338
  129    HA   ARG  22           HA       ARG  22 -14.718  -0.037  -8.147
  130    HB2  ARG  22           2HB      ARG  22 -15.312   2.115  -7.656
  131    HB3  ARG  22           1HB      ARG  22 -13.743   2.770  -8.102
  132    HG2  ARG  22           2HG      ARG  22 -15.491   3.535  -9.666
  133    HG3  ARG  22           1HG      ARG  22 -14.323   2.508 -10.497
  134    HD2  ARG  22           2HD      ARG  22 -16.195   0.695  -9.540
  135    HD3  ARG  22           1HD      ARG  22 -17.180   2.072 -10.035
  136    HE   ARG  22           HE       ARG  22 -15.175   0.904 -11.915
  137   HH11  ARG  22          1HH1      ARG  22 -18.056  -0.257 -11.495
  138   HH12  ARG  22          2HH1      ARG  22 -18.851   0.438 -12.868
  139   HH21  ARG  22          1HH2      ARG  22 -16.324   2.725 -13.506
  140   HH22  ARG  22          2HH2      ARG  22 -17.870   2.126 -14.007
  141    HA   PRO  23           HA       PRO  23 -12.905   0.654 -12.502
  142    HB2  PRO  23           2HB      PRO  23 -10.375   1.713 -12.696
  143    HB3  PRO  23           1HB      PRO  23 -11.850   2.695 -12.677
  144    HG2  PRO  23           2HG      PRO  23  -9.837   2.289 -10.512
  145    HG3  PRO  23           1HG      PRO  23 -10.914   3.666 -10.801
  146    HD2  PRO  23           2HD      PRO  23 -11.309   1.637  -8.874
  147    HD3  PRO  23           1HD      PRO  23 -12.522   2.816  -9.415
  148    H    GLY  24           H        GLY  24 -10.432  -0.006 -13.614
  149    HA2  GLY  24           2HA      GLY  24 -10.017  -2.704 -12.476
  150    HA3  GLY  24           1HA      GLY  24  -9.441  -2.146 -14.047
  151    H    ALA  25           H        ALA  25  -8.986  -0.288 -11.105
  152    HA   ALA  25           HA       ALA  25  -6.095  -0.277 -11.538
  153    HB1  ALA  25           1HB      ALA  25  -6.321   1.020  -9.221
  154    HB2  ALA  25           2HB      ALA  25  -8.016   1.096  -9.701
  155    HB3  ALA  25           3HB      ALA  25  -6.774   1.789 -10.744
  156    H    GLN  26           H        GLN  26  -4.527  -1.208 -10.132
  157    HA   GLN  26           HA       GLN  26  -5.471  -3.574  -8.669
  158    HB2  GLN  26           2HB      GLN  26  -2.977  -2.654  -9.848
  159    HB3  GLN  26           1HB      GLN  26  -2.723  -3.268  -8.213
  160    HG2  GLN  26           2HG      GLN  26  -2.599  -5.254  -9.387
  161    HG3  GLN  26           1HG      GLN  26  -4.334  -5.200  -9.074
  162   HE21  GLN  26          1HE2      GLN  26  -2.044  -5.513 -11.560
  163   HE22  GLN  26          2HE2      GLN  26  -3.056  -5.151 -12.874
  164    H    CYS  27           H        CYS  27  -5.147  -0.362  -7.892
  165    HA   CYS  27           HA       CYS  27  -5.432  -0.843  -5.054
  166    HB2  CYS  27           2HB      CYS  27  -3.343   0.339  -4.372
  167    HB3  CYS  27           1HB      CYS  27  -3.028  -1.207  -5.158
  168    H    GLY  28           H        GLY  28  -6.617   0.846  -4.293
  169    HA2  GLY  28           2HA      GLY  28  -6.844   3.243  -6.007
  170    HA3  GLY  28           1HA      GLY  28  -7.929   2.821  -4.684
  171    H    GLU  29           H        GLU  29  -5.791   2.291  -2.776
  172    HA   GLU  29           HA       GLU  29  -4.370   4.878  -2.559
  173    HB2  GLU  29           2HB      GLU  29  -6.591   5.228  -1.491
  174    HB3  GLU  29           1HB      GLU  29  -6.256   3.880  -0.406
  175    HG2  GLU  29           2HG      GLU  29  -4.031   5.724  -0.421
  176    HG3  GLU  29           1HG      GLU  29  -5.527   6.577  -0.039
  177    H    GLY  30           H        GLY  30  -2.504   4.727  -1.240
  178    HA2  GLY  30           2HA      GLY  30  -1.775   3.024   0.742
  179    HA3  GLY  30           1HA      GLY  30  -1.642   1.970  -0.665
  180    H    LEU  31           H        LEU  31   0.634   2.475   0.769
  181    HA   LEU  31           HA       LEU  31   2.121   4.751  -0.254
  182    HB2  LEU  31           2HB      LEU  31   2.715   2.349   1.422
  183    HB3  LEU  31           1HB      LEU  31   4.073   3.150   0.636
  184    HG   LEU  31           HG       LEU  31   2.039   4.770   2.142
  185   HD11  LEU  31          1HD1      LEU  31   2.643   3.224   3.830
  186   HD12  LEU  31          2HD1      LEU  31   3.736   4.586   4.079
  187   HD13  LEU  31          3HD1      LEU  31   4.312   3.131   3.264
  188   HD21  LEU  31          3HD2      LEU  31   3.448   6.319   1.254
  189   HD22  LEU  31          1HD2      LEU  31   4.698   5.121   0.922
  190   HD23  LEU  31          2HD2      LEU  31   4.552   5.819   2.535
  191    H    CYS  32           H        CYS  32   2.008   1.276  -1.012
  192    HA   CYS  32           HA       CYS  32   3.893   1.681  -3.253
  193    HB2  CYS  32           2HB      CYS  32   2.487  -0.902  -2.639
  194    HB3  CYS  32           1HB      CYS  32   4.080  -0.654  -3.349
  195    H    CYS  33           H        CYS  33   1.518   3.099  -3.648
  196    HA   CYS  33           HA       CYS  33   0.304   1.491  -5.852
  197    HB2  CYS  33           2HB      CYS  33  -1.288   1.659  -3.967
  198    HB3  CYS  33           1HB      CYS  33  -1.175   3.415  -4.032
  199    H    GLU  34           H        GLU  34   1.387   2.473  -7.537
  200    HA   GLU  34           HA       GLU  34   1.293   5.450  -7.689
  201    HB2  GLU  34           2HB      GLU  34   3.066   3.360  -8.950
  202    HB3  GLU  34           1HB      GLU  34   2.941   4.976  -9.648
  203    HG2  GLU  34           2HG      GLU  34   3.519   5.925  -7.395
  204    HG3  GLU  34           1HG      GLU  34   3.810   4.280  -6.828
  205    H    GLN  35           H        GLN  35  -0.163   6.323  -9.089
  206    HA   GLN  35           HA       GLN  35  -1.719   6.473 -10.837
  207    HB2  GLN  35           2HB      GLN  35   0.472   5.487 -12.018
  208    HB3  GLN  35           1HB      GLN  35  -0.569   4.074 -12.196
  209    HG2  GLN  35           2HG      GLN  35  -1.212   5.185 -14.100
  210    HG3  GLN  35           1HG      GLN  35  -2.307   5.978 -12.969
  211   HE21  GLN  35          1HE2      GLN  35  -2.134   8.230 -12.829
  212   HE22  GLN  35          2HE2      GLN  35  -0.828   9.136 -13.426
  213    H    CYS  36           H        CYS  36  -2.222   4.833  -8.499
  214    HA   CYS  36           HA       CYS  36  -3.863   3.347  -7.741
  215    HB2  CYS  36           2HB      CYS  36  -4.782   3.965 -10.524
  216    HB3  CYS  36           1HB      CYS  36  -5.528   2.636  -9.656
  217    H    LYS  37           H        LYS  37  -1.297   2.468  -9.219
  218    HA   LYS  37           HA       LYS  37  -2.207  -0.337  -9.726
  219    HB2  LYS  37           2HB      LYS  37  -0.624   1.453 -11.359
  220    HB3  LYS  37           1HB      LYS  37   0.310   0.015 -10.944
  221    HG2  LYS  37           2HG      LYS  37  -1.505  -1.425 -11.746
  222    HG3  LYS  37           1HG      LYS  37  -2.489  -0.008 -12.113
  223    HD2  LYS  37           2HD      LYS  37  -0.643   0.763 -13.658
  224    HD3  LYS  37           1HD      LYS  37   0.129  -0.804 -13.411
  225    HE2  LYS  37           2HE      LYS  37  -1.790  -1.963 -14.327
  226    HE3  LYS  37           1HE      LYS  37  -2.710  -0.462 -14.414
  227    HZ1  LYS  37           3HZ      LYS  37  -1.019   0.392 -15.962
  228    HZ2  LYS  37           1HZ      LYS  37  -1.820  -0.976 -16.565
  229    HZ3  LYS  37           2HZ      LYS  37  -0.248  -1.122 -15.937
  230    H    PHE  38           H        PHE  38  -0.486  -1.982  -9.228
  231    HA   PHE  38           HA       PHE  38   0.651  -1.438  -6.597
  232    HB2  PHE  38           2HB      PHE  38   0.678  -3.817  -8.453
  233    HB3  PHE  38           1HB      PHE  38   1.631  -3.797  -6.973
  234    HD1  PHE  38           1HD      PHE  38  -0.120  -2.313  -5.126
  235    HD2  PHE  38           2HD      PHE  38  -1.081  -5.323  -8.036
  236    HE1  PHE  38           1HE      PHE  38  -2.125  -2.945  -3.812
  237    HE2  PHE  38           2HE      PHE  38  -3.087  -5.953  -6.723
  238    HZ   PHE  38           HZ       PHE  38  -3.610  -4.764  -4.610
  239    H    SER  39           H        SER  39   2.545  -0.316  -6.419
  240    HA   SER  39           HA       SER  39   4.389   0.083  -8.566
  241    HB2  SER  39           2HB      SER  39   4.714   0.297  -5.562
  242    HB3  SER  39           1HB      SER  39   5.994   0.727  -6.692
  243    HG   SER  39           HG       SER  39   4.390   2.407  -5.935
  244    H    ARG  40           H        ARG  40   6.887  -0.661  -7.897
  245    HA   ARG  40           HA       ARG  40   6.733  -3.594  -8.111
  246    HB2  ARG  40           2HB      ARG  40   9.134  -1.735  -8.177
  247    HB3  ARG  40           1HB      ARG  40   9.159  -3.456  -8.560
  248    HG2  ARG  40           2HG      ARG  40   7.292  -1.592 -10.014
  249    HG3  ARG  40           1HG      ARG  40   8.970  -1.764 -10.528
  250    HD2  ARG  40           2HD      ARG  40   8.147  -4.390 -10.165
  251    HD3  ARG  40           1HD      ARG  40   6.726  -3.613 -10.863
  252    HE   ARG  40           HE       ARG  40   9.385  -3.831 -12.170
  253   HH11  ARG  40          1HH2      ARG  40   6.212  -4.397 -12.723
  254   HH12  ARG  40          2HH2      ARG  40   6.073  -3.462 -14.175
  255   HH21  ARG  40          1HH1      ARG  40   9.170  -1.945 -13.808
  256   HH22  ARG  40          2HH1      ARG  40   7.748  -2.073 -14.789
  257    H    ALA  41           H        ALA  41   8.491  -4.824  -6.784
  258    HA   ALA  41           HA       ALA  41   8.018  -4.191  -3.952
  259    HB1  ALA  41           1HB      ALA  41   9.761  -6.414  -5.028
  260    HB2  ALA  41           2HB      ALA  41   8.003  -6.546  -4.997
  261    HB3  ALA  41           3HB      ALA  41   8.901  -6.350  -3.491
  262    H    GLY  42           H        GLY  42   9.807  -4.140  -2.415
  263    HA2  GLY  42           2HA      GLY  42  11.868  -3.348  -1.670
  264    HA3  GLY  42           1HA      GLY  42  12.519  -3.626  -3.274
  265    H    LYS  43           H        LYS  43   9.655  -1.683  -2.771
  266    HA   LYS  43           HA       LYS  43  11.167   0.625  -3.866
  267    HB2  LYS  43           2HB      LYS  43   9.268   0.957  -5.029
  268    HB3  LYS  43           1HB      LYS  43   8.475  -0.348  -4.157
  269    HG2  LYS  43           2HG      LYS  43   7.143   1.600  -3.752
  270    HG3  LYS  43           1HG      LYS  43   8.067   1.360  -2.277
  271    HD2  LYS  43           2HD      LYS  43   9.356   3.223  -2.621
  272    HD3  LYS  43           1HD      LYS  43   9.358   3.024  -4.372
  273    HE2  LYS  43           2HE      LYS  43   7.948   4.828  -4.278
  274    HE3  LYS  43           1HE      LYS  43   6.741   3.574  -3.994
  275    HZ1  LYS  43           3HZ      LYS  43   8.224   4.660  -1.707
  276    HZ2  LYS  43           1HZ      LYS  43   6.649   4.032  -1.770
  277    HZ3  LYS  43           2HZ      LYS  43   6.967   5.586  -2.378
  278    H    ILE  44           H        ILE  44  11.728   2.336  -2.628
  279    HA   ILE  44           HA       ILE  44  11.554   2.290   0.204
  280    HB   ILE  44           HB       ILE  44  13.215   3.708  -0.667
  281   HG12  ILE  44          2HG1      ILE  44  12.533   6.051  -0.057
  282   HG13  ILE  44          1HG1      ILE  44  10.873   5.481   0.108
  283   HG21  ILE  44          1HG2      ILE  44  12.943   4.318  -2.813
  284   HG22  ILE  44          2HG2      ILE  44  11.977   5.671  -2.220
  285   HG23  ILE  44          3HG2      ILE  44  11.190   4.167  -2.699
  286   HD11  ILE  44          3HD1      ILE  44  11.628   5.294   2.302
  287   HD12  ILE  44          1HD1      ILE  44  13.266   4.865   1.809
  288   HD13  ILE  44          2HD1      ILE  44  11.969   3.676   1.689
  289    H    CYS  45           H        CYS  45   9.505   2.060   1.053
  290    HA   CYS  45           HA       CYS  45   7.321   3.815   0.064
  291    HB2  CYS  45           2HB      CYS  45   6.334   2.401   2.266
  292    HB3  CYS  45           1HB      CYS  45   6.031   2.056   0.573
  293    H    ARG  46           H        ARG  46   9.561   3.578   2.662
  294    HA   ARG  46           HA       ARG  46   8.638   6.153   3.706
  295    HB2  ARG  46           2HB      ARG  46   7.882   3.622   4.997
  296    HB3  ARG  46           1HB      ARG  46   8.674   4.763   6.085
  297    HG2  ARG  46           2HG      ARG  46   7.065   6.526   5.080
  298    HG3  ARG  46           1HG      ARG  46   6.145   5.143   4.486
  299    HD2  ARG  46           2HD      ARG  46   6.983   5.153   7.359
  300    HD3  ARG  46           1HD      ARG  46   5.641   6.189   6.878
  301    HE   ARG  46           HE       ARG  46   4.574   4.069   5.950
  302   HH11  ARG  46          1HH1      ARG  46   7.464   3.331   7.502
  303   HH12  ARG  46          2HH1      ARG  46   6.802   2.100   8.525
  304   HH21  ARG  46          1HH2      ARG  46   3.514   2.761   7.646
  305   HH22  ARG  46          2HH2      ARG  46   4.567   1.776   8.605
  306    H    ILE  47           H        ILE  47  10.207   7.129   5.076
  307    HA   ILE  47           HA       ILE  47  12.915   6.184   4.671
  308    HB   ILE  47           HB       ILE  47  11.999   8.625   4.983
  309   HG12  ILE  47          2HG1      ILE  47  14.450   8.357   6.597
  310   HG13  ILE  47          1HG1      ILE  47  14.495   7.484   5.064
  311   HG21  ILE  47          1HG2      ILE  47  12.187   9.464   7.275
  312   HG22  ILE  47          2HG2      ILE  47  12.590   7.848   7.855
  313   HG23  ILE  47          3HG2      ILE  47  10.984   8.177   7.206
  314   HD11  ILE  47          3HD1      ILE  47  14.828  10.279   5.484
  315   HD12  ILE  47          1HD1      ILE  47  13.306  10.057   4.621
  316   HD13  ILE  47          2HD1      ILE  47  14.804   9.412   3.949
  317    H    ALA  48           H        ALA  48  14.233   6.495   7.066
  318    HA   ALA  48           HA       ALA  48  12.898   4.517   8.868
  319    HB1  ALA  48           1HB      ALA  48  14.548   3.102   8.224
  320    HB2  ALA  48           2HB      ALA  48  15.593   4.089   9.246
  321    HB3  ALA  48           3HB      ALA  48  15.503   4.402   7.513
  322    H    ARG  49           H        ARG  49  12.820   5.149  10.976
  323    HA   ARG  49           HA       ARG  49  14.230   7.659  11.712
  324    HB2  ARG  49           2HB      ARG  49  11.732   6.342  12.502
  325    HB3  ARG  49           1HB      ARG  49  12.670   6.921  13.879
  326    HG2  ARG  49           2HG      ARG  49  12.398   8.749  11.537
  327    HG3  ARG  49           1HG      ARG  49  10.981   8.525  12.566
  328    HD2  ARG  49           2HD      ARG  49  12.273   9.162  14.541
  329    HD3  ARG  49           1HD      ARG  49  13.736   9.304  13.566
  330    HE   ARG  49           HE       ARG  49  11.492  11.002  12.704
  331   HH11  ARG  49          1HH1      ARG  49  12.425  11.716  15.524
  332   HH12  ARG  49          2HH1      ARG  49  13.612  12.929  15.183
  333   HH21  ARG  49          1HH2      ARG  49  13.870  12.108  11.823
  334   HH22  ARG  49          2HH2      ARG  49  14.431  13.151  13.087
  335    H    GLY  50           H        GLY  50  16.332   6.995  12.220
  336    HA2  GLY  50           2HA      GLY  50  17.252   6.322  14.620
  337    HA3  GLY  50           1HA      GLY  50  16.664   4.737  14.117
  338    H    ASP  51           H        ASP  51  17.966   3.517  12.801
  339    HA   ASP  51           HA       ASP  51  19.909   4.621  10.985
  340    HB2  ASP  51           2HB      ASP  51  20.721   4.241  13.759
  341    HB3  ASP  51           1HB      ASP  51  21.702   3.278  12.653
  342    H    TRP  52           H        TRP  52  18.103   2.819  10.335
  343    HA   TRP  52           HA       TRP  52  19.622   0.252  10.235
  344    HB2  TRP  52           2HB      TRP  52  17.146  -0.723  10.106
  345    HB3  TRP  52           1HB      TRP  52  17.929  -0.424  11.653
  346    HD1  TRP  52           HD       TRP  52  16.075   1.958   9.204
  347    HE1  TRP  52           1HE      TRP  52  14.339   3.291  10.557
  348    HE3  TRP  52           3HE      TRP  52  16.800  -0.084  13.834
  349    HZ2  TRP  52           2HZ      TRP  52  13.381   3.475  13.243
  350    HZ3  TRP  52           3HZ      TRP  52  15.463   0.697  15.769
  351    HH2  TRP  52           HH       TRP  52  13.757   2.471  15.480
  352    H    ASN  53           H        ASN  53  16.549   0.260   8.697
  353    HA   ASN  53           HA       ASN  53  17.777   1.090   6.116
  354    HB2  ASN  53           2HB      ASN  53  16.612  -1.562   6.843
  355    HB3  ASN  53           1HB      ASN  53  16.287  -0.939   5.225
  356   HD21  ASN  53          1HD2      ASN  53  18.064  -0.801   3.727
  357   HD22  ASN  53          2HD2      ASN  53  19.604  -1.425   4.080
  358    H    ASP  54           H        ASP  54  16.196   1.791   4.535
  359    HA   ASP  54           HA       ASP  54  13.971   3.206   5.678
  360    HB2  ASP  54           2HB      ASP  54  13.423   3.818   3.388
  361    HB3  ASP  54           1HB      ASP  54  15.174   3.887   3.590
  362    H    ASP  55           H        ASP  55  12.067   2.546   3.468
  363    HA   ASP  55           HA       ASP  55  11.137  -0.102   4.501
  364    HB2  ASP  55           2HB      ASP  55   9.763   2.499   4.301
  365    HB3  ASP  55           1HB      ASP  55   8.839   1.136   3.666
  366    H    ARG  56           H        ARG  56  11.264  -1.567   2.902
  367    HA   ARG  56           HA       ARG  56  11.163  -0.723   0.063
  368    HB2  ARG  56           2HB      ARG  56  12.156  -3.024   1.610
  369    HB3  ARG  56           1HB      ARG  56  11.359  -3.476   0.105
  370    HG2  ARG  56           2HG      ARG  56  13.661  -3.117  -0.445
  371    HG3  ARG  56           1HG      ARG  56  12.787  -1.711  -1.039
  372    HD2  ARG  56           2HD      ARG  56  15.000  -1.428   0.380
  373    HD3  ARG  56           1HD      ARG  56  13.645  -0.318   0.558
  374    HE   ARG  56           HE       ARG  56  13.162  -1.303   2.690
  375   HH11  ARG  56          1HH2      ARG  56  13.634  -4.173   1.968
  376   HH12  ARG  56          2HH2      ARG  56  15.066  -4.544   2.870
  377   HH21  ARG  56          1HH1      ARG  56  15.902  -1.225   3.420
  378   HH22  ARG  56          2HH1      ARG  56  16.348  -2.877   3.691
  379    H    CYS  57           H        CYS  57   9.321  -0.840  -1.105
  380    HA   CYS  57           HA       CYS  57   6.841  -1.743   0.061
  381    HB2  CYS  57           2HB      CYS  57   7.733  -0.607  -2.523
  382    HB3  CYS  57           1HB      CYS  57   6.269  -1.584  -2.583
  383    H    THR  58           H        THR  58   5.650  -3.609  -0.390
  384    HA   THR  58           HA       THR  58   7.108  -6.005  -0.973
  385    HB   THR  58           HB       THR  58   4.290  -6.357  -1.433
  386    HG1  THR  58           1HG      THR  58   3.957  -5.556   0.907
  387   HG21  THR  58          3HG2      THR  58   5.726  -6.975   1.132
  388   HG22  THR  58          1HG2      THR  58   6.156  -7.835  -0.347
  389   HG23  THR  58          2HG2      THR  58   4.511  -7.930   0.282
  390    H    GLY  59           H        GLY  59   5.145  -3.856  -2.965
  391    HA2  GLY  59           2HA      GLY  59   5.466  -3.681  -5.359
  392    HA3  GLY  59           1HA      GLY  59   6.130  -5.314  -5.359
  393    H    GLN  60           H        GLN  60   3.959  -6.396  -3.694
  394    HA   GLN  60           HA       GLN  60   1.814  -6.416  -5.775
  395    HB2  GLN  60           2HB      GLN  60   3.085  -8.506  -4.118
  396    HB3  GLN  60           1HB      GLN  60   1.326  -8.612  -4.211
  397    HG2  GLN  60           2HG      GLN  60   1.955  -8.105  -6.821
  398    HG3  GLN  60           1HG      GLN  60   3.355  -9.052  -6.315
  399   HE21  GLN  60          1HE2      GLN  60   0.026  -9.251  -7.218
  400   HE22  GLN  60          2HE2      GLN  60  -0.197 -10.897  -6.864
  401    H    SER  61           H        SER  61   2.502  -5.093  -2.834
  402    HA   SER  61           HA       SER  61  -0.353  -5.256  -1.951
  403    HB2  SER  61           2HB      SER  61   1.273  -6.246  -0.342
  404    HB3  SER  61           1HB      SER  61   2.098  -4.694  -0.256
  405    HG   SER  61           HG       SER  61  -0.187  -3.929   0.248
  406    H    ALA  62           H        ALA  62  -1.444  -3.357  -2.091
  407    HA   ALA  62           HA       ALA  62  -0.376  -0.976  -3.152
  408    HB1  ALA  62           1HB      ALA  62  -2.601  -0.759  -1.168
  409    HB2  ALA  62           2HB      ALA  62  -2.873  -1.749  -2.600
  410    HB3  ALA  62           3HB      ALA  62  -2.458  -0.045  -2.773
  411    H    ASP  63           H        ASP  63  -0.842  -1.856   0.282
  412    HA   ASP  63           HA       ASP  63   0.451   0.648   1.122
  413    HB2  ASP  63           2HB      ASP  63  -0.815  -1.679   2.534
  414    HB3  ASP  63           1HB      ASP  63   0.274  -0.613   3.425
  415    H    CYS  64           H        CYS  64   2.195   0.213   2.986
  416    HA   CYS  64           HA       CYS  64   4.191  -1.681   1.813
  417    HB2  CYS  64           2HB      CYS  64   4.878   0.663   1.585
  418    HB3  CYS  64           1HB      CYS  64   4.642   0.924   3.309
  419    HA   PRO  65           HA       PRO  65   3.939  -3.785   5.627
  420    HB2  PRO  65           2HB      PRO  65   6.117  -5.387   5.175
  421    HB3  PRO  65           1HB      PRO  65   4.529  -5.687   4.471
  422    HG2  PRO  65           2HG      PRO  65   7.003  -4.627   3.197
  423    HG3  PRO  65           1HG      PRO  65   5.649  -5.506   2.464
  424    HD2  PRO  65           2HD      PRO  65   6.070  -2.737   2.300
  425    HD3  PRO  65           1HD      PRO  65   4.548  -3.573   1.936
  426    H    ARG  66           H        ARG  66   6.105  -4.681   7.107
  427    HA   ARG  66           HA       ARG  66   7.730  -2.210   7.550
  428    HB2  ARG  66           2HB      ARG  66   7.604  -2.727  10.010
  429    HB3  ARG  66           1HB      ARG  66   6.055  -2.260   9.298
  430    HG2  ARG  66           2HG      ARG  66   6.111  -5.008   8.925
  431    HG3  ARG  66           1HG      ARG  66   6.860  -4.806  10.508
  432    HD2  ARG  66           2HD      ARG  66   4.809  -3.095  10.805
  433    HD3  ARG  66           1HD      ARG  66   4.078  -4.196   9.637
  434    HE   ARG  66           HE       ARG  66   4.417  -6.023  11.258
  435   HH11  ARG  66          1HH1      ARG  66   5.888  -3.189  12.403
  436   HH12  ARG  66          2HH1      ARG  66   5.370  -3.391  14.043
  437   HH21  ARG  66          1HH2      ARG  66   3.363  -6.133  13.348
  438   HH22  ARG  66          2HH2      ARG  66   3.940  -5.059  14.579
  439    H    ASN  67           H        ASN  67   9.631  -2.745   9.059
  440    HA   ASN  67           HA       ASN  67  10.871  -5.287   8.112
  441    HB2  ASN  67           2HB      ASN  67  13.013  -4.187   8.537
  442    HB3  ASN  67           1HB      ASN  67  12.013  -3.117   7.560
  443   HD21  ASN  67          1HD2      ASN  67  13.928  -3.199  10.340
  444   HD22  ASN  67          2HD2      ASN  67  13.323  -1.815  11.109
  445    HA   PRO  68           HA       PRO  68  10.971  -6.765  12.254
  446    HB2  PRO  68           2HB      PRO  68  13.373  -8.112  12.283
  447    HB3  PRO  68           1HB      PRO  68  11.924  -8.701  11.448
  448    HG2  PRO  68           2HG      PRO  68  14.407  -7.533  10.310
  449    HG3  PRO  68           1HG      PRO  68  13.225  -8.608   9.550
  450    HD2  PRO  68           2HD      PRO  68  13.445  -5.802   9.172
  451    HD3  PRO  68           1HD      PRO  68  12.129  -6.842   8.603
  452    H    TRP  69           H        TRP  69  12.423  -4.057  11.689
  453    HA   TRP  69           HA       TRP  69  13.921  -4.049  14.265
  454    HB2  TRP  69           2HB      TRP  69  14.889  -2.486  11.874
  455    HB3  TRP  69           1HB      TRP  69  15.774  -2.924  13.337
  456    HD1  TRP  69           HD       TRP  69  15.433  -5.882  13.632
  457    HE1  TRP  69           1HE      TRP  69  16.259  -7.582  11.889
  458    HE3  TRP  69           3HE      TRP  69  15.671  -2.871   9.520
  459    HZ2  TRP  69           2HZ      TRP  69  16.924  -7.664   9.120
  460    HZ3  TRP  69           3HZ      TRP  69  16.399  -3.793   7.337
  461    HH2  TRP  69           HH       TRP  69  17.020  -6.186   7.138
  462    H    ASN  70           H        ASN  70  11.521  -2.639  12.340
  463    HA   ASN  70           HA       ASN  70  11.768  -0.007  13.706
  464    HB2  ASN  70           2HB      ASN  70  10.223  -0.988  11.312
  465    HB3  ASN  70           1HB      ASN  70   9.758   0.504  12.131
  466   HD21  ASN  70          1HD2      ASN  70  10.442   1.727  10.171
  467   HD22  ASN  70          2HD2      ASN  70  12.090   1.999   9.872
  468    H    GLY  71           H        GLY  71  11.149  -1.685  15.617
  469    HA2  GLY  71           2HA      GLY  71   9.520  -1.858  17.329
  470    HA3  GLY  71           1HA      GLY  71   8.368  -1.041  16.270
  Start of MODEL    4
    1    H    GLY   1           1HT      GLY   1 -17.812  -3.965   5.696
    2    HA2  GLY   1           1HA      GLY   1 -17.426  -6.418   7.115
    3    HA3  GLY   1           2HA      GLY   1 -18.358  -6.634   5.633
    4    H    LYS   2           H        LYS   2 -16.975  -7.253   4.041
    5    HA   LYS   2           HA       LYS   2 -14.336  -5.850   3.875
    6    HB2  LYS   2           2HB      LYS   2 -15.063  -8.672   3.741
    7    HB3  LYS   2           1HB      LYS   2 -14.156  -8.160   2.317
    8    HG2  LYS   2           2HG      LYS   2 -12.546  -8.850   3.973
    9    HG3  LYS   2           1HG      LYS   2 -12.483  -7.089   3.886
   10    HD2  LYS   2           2HD      LYS   2 -13.327  -6.824   5.986
   11    HD3  LYS   2           1HD      LYS   2 -14.445  -8.177   5.813
   12    HE2  LYS   2           2HE      LYS   2 -11.692  -9.099   5.802
   13    HE3  LYS   2           1HE      LYS   2 -12.043  -8.173   7.260
   14    HZ1  LYS   2           3HZ      LYS   2 -14.121 -10.018   6.484
   15    HZ2  LYS   2           1HZ      LYS   2 -13.441  -9.728   8.010
   16    HZ3  LYS   2           2HZ      LYS   2 -12.656 -10.762   6.915
   17    H    GLU   3           H        GLU   3 -16.238  -4.412   2.742
   18    HA   GLU   3           HA       GLU   3 -16.066  -5.064  -0.173
   19    HB2  GLU   3           2HB      GLU   3 -18.369  -4.407   1.512
   20    HB3  GLU   3           1HB      GLU   3 -18.234  -3.352   0.106
   21    HG2  GLU   3           2HG      GLU   3 -18.019  -5.366  -1.347
   22    HG3  GLU   3           1HG      GLU   3 -18.272  -6.384   0.073
   23    H    CYS   4           H        CYS   4 -14.447  -3.318   1.795
   24    HA   CYS   4           HA       CYS   4 -14.658  -0.808   0.182
   25    HB2  CYS   4           2HB      CYS   4 -14.610  -1.223   3.090
   26    HB3  CYS   4           1HB      CYS   4 -13.418  -0.050   2.531
   27    H    ASP   5           H        ASP   5 -12.921  -0.857  -1.180
   28    HA   ASP   5           HA       ASP   5 -10.395  -2.112  -0.308
   29    HB2  ASP   5           2HB      ASP   5 -11.441  -2.265  -2.680
   30    HB3  ASP   5           1HB      ASP   5 -10.817  -0.630  -2.904
   31    H    CYS   6           H        CYS   6 -11.853   0.989  -0.403
   32    HA   CYS   6           HA       CYS   6  -9.290   2.203   0.488
   33    HB2  CYS   6           2HB      CYS   6  -9.570   4.131  -0.953
   34    HB3  CYS   6           1HB      CYS   6  -9.626   2.688  -1.965
   35    H    SER   7           H        SER   7  -9.742   4.374   1.564
   36    HA   SER   7           HA       SER   7 -12.403   4.239   2.919
   37    HB2  SER   7           2HB      SER   7 -11.225   5.610   4.711
   38    HB3  SER   7           1HB      SER   7 -10.650   3.956   4.526
   39    HG   SER   7           HG       SER   7  -8.778   4.769   4.073
   40    H    SER   8           H        SER   8 -10.612   6.021   0.681
   41    HA   SER   8           HA       SER   8 -12.086   8.530   1.328
   42    HB2  SER   8           2HB      SER   8  -9.501   7.918   0.018
   43    HB3  SER   8           1HB      SER   8 -10.429   9.225  -0.711
   44    HG   SER   8           HG       SER   8  -9.920   9.016   2.072
   45    HA   PRO   9           HA       PRO   9 -14.685   7.527  -2.134
   46    HB2  PRO   9           2HB      PRO   9 -16.160   9.846  -2.056
   47    HB3  PRO   9           1HB      PRO   9 -16.409   8.492  -0.942
   48    HG2  PRO   9           2HG      PRO   9 -15.123  11.130  -0.425
   49    HG3  PRO   9           1HG      PRO   9 -15.934  10.037   0.708
   50    HD2  PRO   9           2HD      PRO   9 -13.133  10.330   0.393
   51    HD3  PRO   9           1HD      PRO   9 -13.958   9.037   1.289
   52    H    GLU  10           H        GLU  10 -12.682  10.372  -1.848
   53    HA   GLU  10           HA       GLU  10 -13.100  11.167  -4.657
   54    HB2  GLU  10           2HB      GLU  10 -11.812  12.321  -2.263
   55    HB3  GLU  10           1HB      GLU  10 -10.967  12.642  -3.777
   56    HG2  GLU  10           2HG      GLU  10 -13.366  13.229  -4.671
   57    HG3  GLU  10           1HG      GLU  10 -13.747  13.431  -2.961
   58    H    ASN  11           H        ASN  11 -11.585   8.636  -3.403
   59    HA   ASN  11           HA       ASN  11  -8.933   8.900  -4.574
   60    HB2  ASN  11           2HB      ASN  11  -9.396   7.416  -2.633
   61    HB3  ASN  11           1HB      ASN  11 -10.405   6.408  -3.671
   62   HD21  ASN  11          1HD2      ASN  11  -7.838   5.658  -2.312
   63   HD22  ASN  11          2HD2      ASN  11  -6.789   5.175  -3.556
   64    HA   PRO  12           HA       PRO  12 -10.439   7.811  -8.641
   65    HB2  PRO  12           2HB      PRO  12  -8.017   8.142  -9.893
   66    HB3  PRO  12           1HB      PRO  12  -9.080   9.489  -9.449
   67    HG2  PRO  12           2HG      PRO  12  -6.531   8.614  -8.179
   68    HG3  PRO  12           1HG      PRO  12  -7.289  10.215  -8.184
   69    HD2  PRO  12           2HD      PRO  12  -7.340   8.340  -6.049
   70    HD3  PRO  12           1HD      PRO  12  -8.308   9.824  -6.173
   71    H    CYS  13           H        CYS  13  -9.064   5.818  -6.592
   72    HA   CYS  13           HA       CYS  13  -8.146   3.869  -8.662
   73    HB2  CYS  13           2HB      CYS  13  -7.354   4.172  -5.751
   74    HB3  CYS  13           1HB      CYS  13  -6.893   2.795  -6.751
   75    H    CYS  14           H        CYS  14 -10.544   4.569  -6.328
   76    HA   CYS  14           HA       CYS  14 -11.499   1.748  -6.535
   77    HB2  CYS  14           2HB      CYS  14 -12.312   1.928  -4.182
   78    HB3  CYS  14           1HB      CYS  14 -10.555   2.024  -4.306
   79    H    ASP  15           H        ASP  15 -13.724   1.495  -6.696
   80    HA   ASP  15           HA       ASP  15 -15.234   3.726  -7.749
   81    HB2  ASP  15           2HB      ASP  15 -15.454   1.137  -8.187
   82    HB3  ASP  15           1HB      ASP  15 -16.500   1.183  -6.770
   83    H    ALA  16           H        ALA  16 -16.595   5.085  -6.653
   84    HA   ALA  16           HA       ALA  16 -16.599   5.061  -3.752
   85    HB1  ALA  16           1HB      ALA  16 -17.187   6.924  -5.794
   86    HB2  ALA  16           2HB      ALA  16 -17.191   7.211  -4.053
   87    HB3  ALA  16           3HB      ALA  16 -18.676   6.727  -4.870
   88    H    ALA  17           H        ALA  17 -18.847   4.037  -6.271
   89    HA   ALA  17           HA       ALA  17 -21.142   3.696  -4.588
   90    HB1  ALA  17           1HB      ALA  17 -21.173   3.683  -7.101
   91    HB2  ALA  17           2HB      ALA  17 -22.032   2.322  -6.380
   92    HB3  ALA  17           3HB      ALA  17 -20.420   2.089  -7.056
   93    H    THR  18           H        THR  18 -18.509   1.478  -5.509
   94    HA   THR  18           HA       THR  18 -19.593  -0.505  -3.570
   95    HB   THR  18           HB       THR  18 -18.248  -2.144  -4.674
   96    HG1  THR  18           1HG      THR  18 -16.620  -1.593  -6.056
   97   HG21  THR  18          3HG2      THR  18 -19.323  -2.180  -6.705
   98   HG22  THR  18          1HG2      THR  18 -18.924  -0.500  -7.064
   99   HG23  THR  18          2HG2      THR  18 -20.237  -0.875  -5.947
  100    H    CYS  19           H        CYS  19 -17.257   1.947  -3.781
  101    HA   CYS  19           HA       CYS  19 -15.513   2.554  -2.322
  102    HB2  CYS  19           2HB      CYS  19 -17.225   2.112  -0.591
  103    HB3  CYS  19           1HB      CYS  19 -16.786   0.405  -0.594
  104    H    LYS  20           H        LYS  20 -15.235   0.338  -4.314
  105    HA   LYS  20           HA       LYS  20 -12.850  -0.963  -3.060
  106    HB2  LYS  20           2HB      LYS  20 -15.085  -2.225  -4.639
  107    HB3  LYS  20           1HB      LYS  20 -13.483  -2.962  -4.599
  108    HG2  LYS  20           2HG      LYS  20 -14.287  -2.189  -1.936
  109    HG3  LYS  20           1HG      LYS  20 -15.523  -3.214  -2.668
  110    HD2  LYS  20           2HD      LYS  20 -12.567  -3.887  -2.623
  111    HD3  LYS  20           1HD      LYS  20 -13.741  -4.512  -1.466
  112    HE2  LYS  20           2HE      LYS  20 -14.236  -4.809  -4.417
  113    HE3  LYS  20           1HE      LYS  20 -13.173  -5.940  -3.582
  114    HZ1  LYS  20           3HZ      LYS  20 -15.986  -5.851  -3.591
  115    HZ2  LYS  20           1HZ      LYS  20 -15.437  -5.619  -2.003
  116    HZ3  LYS  20           2HZ      LYS  20 -14.963  -7.000  -2.871
  117    H    LEU  21           H        LEU  21 -11.889  -2.287  -5.308
  118    HA   LEU  21           HA       LEU  21 -10.695  -0.145  -6.791
  119    HB2  LEU  21           2HB      LEU  21 -10.821  -3.133  -7.151
  120    HB3  LEU  21           1HB      LEU  21 -10.088  -2.115  -8.392
  121    HG   LEU  21           HG       LEU  21  -9.140  -1.300  -5.795
  122   HD11  LEU  21          1HD1      LEU  21  -9.683  -4.062  -5.926
  123   HD12  LEU  21          2HD1      LEU  21  -8.683  -3.234  -4.733
  124   HD13  LEU  21          3HD1      LEU  21  -7.944  -3.909  -6.186
  125   HD21  LEU  21          3HD2      LEU  21  -8.201  -1.226  -8.285
  126   HD22  LEU  21          1HD2      LEU  21  -7.464  -2.755  -7.806
  127   HD23  LEU  21          2HD2      LEU  21  -7.103  -1.283  -6.906
  128    H    ARG  22           H        ARG  22 -11.422   0.914  -8.607
  129    HA   ARG  22           HA       ARG  22 -14.013   0.002  -9.718
  130    HB2  ARG  22           2HB      ARG  22 -14.297   2.241  -9.323
  131    HB3  ARG  22           1HB      ARG  22 -12.599   2.620  -9.569
  132    HG2  ARG  22           2HG      ARG  22 -12.837   2.768 -11.890
  133    HG3  ARG  22           1HG      ARG  22 -14.243   1.703 -11.911
  134    HD2  ARG  22           2HD      ARG  22 -15.707   3.396 -11.388
  135    HD3  ARG  22           1HD      ARG  22 -14.517   4.268 -10.421
  136    HE   ARG  22           HE       ARG  22 -13.868   5.432 -12.371
  137   HH11  ARG  22          1HH2      ARG  22 -16.744   4.548 -13.231
  138   HH12  ARG  22          2HH2      ARG  22 -16.422   4.050 -14.859
  139   HH21  ARG  22          1HH1      ARG  22 -12.983   3.953 -14.429
  140   HH22  ARG  22          2HH1      ARG  22 -14.293   3.713 -15.537
  141    HA   PRO  23           HA       PRO  23 -11.484   0.129 -13.726
  142    HB2  PRO  23           2HB      PRO  23  -8.894   1.033 -13.665
  143    HB3  PRO  23           1HB      PRO  23 -10.289   2.096 -13.922
  144    HG2  PRO  23           2HG      PRO  23  -8.603   1.768 -11.482
  145    HG3  PRO  23           1HG      PRO  23  -9.530   3.176 -12.025
  146    HD2  PRO  23           2HD      PRO  23 -10.318   1.362 -10.007
  147    HD3  PRO  23           1HD      PRO  23 -11.354   2.559 -10.807
  148    H    GLY  24           H        GLY  24  -9.178  -0.939 -14.559
  149    HA2  GLY  24           2HA      GLY  24  -8.981  -3.459 -13.096
  150    HA3  GLY  24           1HA      GLY  24  -8.092  -3.042 -14.562
  151    H    ALA  25           H        ALA  25  -8.271  -1.786 -11.209
  152    HA   ALA  25           HA       ALA  25  -5.335  -1.363 -11.291
  153    HB1  ALA  25           1HB      ALA  25  -6.114   0.552 -10.328
  154    HB2  ALA  25           2HB      ALA  25  -6.126  -0.421  -8.857
  155    HB3  ALA  25           3HB      ALA  25  -7.609  -0.210  -9.787
  156    H    GLN  26           H        GLN  26  -4.252  -1.818  -9.056
  157    HA   GLN  26           HA       GLN  26  -4.906  -4.630  -8.343
  158    HB2  GLN  26           2HB      GLN  26  -2.461  -2.973  -8.420
  159    HB3  GLN  26           1HB      GLN  26  -2.585  -4.026  -7.012
  160    HG2  GLN  26           2HG      GLN  26  -1.451  -5.190  -8.859
  161    HG3  GLN  26           1HG      GLN  26  -2.999  -5.959  -8.501
  162   HE21  GLN  26          1HE2      GLN  26  -1.332  -3.838 -10.827
  163   HE22  GLN  26          2HE2      GLN  26  -2.479  -4.016 -12.067
  164    H    CYS  27           H        CYS  27  -4.363  -1.440  -6.894
  165    HA   CYS  27           HA       CYS  27  -5.981  -2.297  -4.563
  166    HB2  CYS  27           2HB      CYS  27  -3.973  -2.643  -3.485
  167    HB3  CYS  27           1HB      CYS  27  -3.091  -1.545  -4.534
  168    H    GLY  28           H        GLY  28  -6.734  -0.379  -3.310
  169    HA2  GLY  28           2HA      GLY  28  -7.152   1.921  -5.133
  170    HA3  GLY  28           1HA      GLY  28  -8.112   1.567  -3.703
  171    H    GLU  29           H        GLU  29  -5.955   1.130  -1.918
  172    HA   GLU  29           HA       GLU  29  -4.371   3.617  -2.008
  173    HB2  GLU  29           2HB      GLU  29  -5.141   4.233   0.267
  174    HB3  GLU  29           1HB      GLU  29  -6.428   4.310  -0.924
  175    HG2  GLU  29           2HG      GLU  29  -7.585   3.039   0.565
  176    HG3  GLU  29           1HG      GLU  29  -6.626   1.713  -0.094
  177    H    GLY  30           H        GLY  30  -2.449   3.445  -0.822
  178    HA2  GLY  30           2HA      GLY  30  -1.771   1.815   1.295
  179    HA3  GLY  30           1HA      GLY  30  -1.650   0.732  -0.094
  180    H    LEU  31           H        LEU  31   0.637   1.339   1.377
  181    HA   LEU  31           HA       LEU  31   2.102   3.581   0.312
  182    HB2  LEU  31           2HB      LEU  31   2.856   1.073   1.805
  183    HB3  LEU  31           1HB      LEU  31   4.099   2.155   1.179
  184    HG   LEU  31           HG       LEU  31   1.808   3.162   2.870
  185   HD11  LEU  31          1HD1      LEU  31   3.483   1.331   3.867
  186   HD12  LEU  31          2HD1      LEU  31   2.951   2.714   4.823
  187   HD13  LEU  31          3HD1      LEU  31   4.527   2.743   4.031
  188   HD21  LEU  31          3HD2      LEU  31   2.781   5.156   2.479
  189   HD22  LEU  31          1HD2      LEU  31   3.936   4.361   1.410
  190   HD23  LEU  31          2HD2      LEU  31   4.309   4.555   3.123
  191    H    CYS  32           H        CYS  32   1.220   0.577  -1.007
  192    HA   CYS  32           HA       CYS  32   3.381   0.797  -3.061
  193    HB2  CYS  32           2HB      CYS  32   2.619  -1.401  -1.494
  194    HB3  CYS  32           1HB      CYS  32   1.952  -1.727  -3.095
  195    H    CYS  33           H        CYS  33   0.260   1.611  -2.588
  196    HA   CYS  33           HA       CYS  33  -0.760   0.647  -5.194
  197    HB2  CYS  33           2HB      CYS  33  -2.132   2.555  -3.310
  198    HB3  CYS  33           1HB      CYS  33  -2.874   1.487  -4.499
  199    H    GLU  34           H        GLU  34   0.781   1.846  -6.522
  200    HA   GLU  34           HA       GLU  34   0.493   4.806  -6.441
  201    HB2  GLU  34           2HB      GLU  34   2.789   4.124  -6.487
  202    HB3  GLU  34           1HB      GLU  34   2.487   2.965  -7.782
  203    HG2  GLU  34           2HG      GLU  34   2.494   4.574  -9.410
  204    HG3  GLU  34           1HG      GLU  34   1.747   5.781  -8.362
  205    H    GLN  35           H        GLN  35  -0.976   5.666  -7.812
  206    HA   GLN  35           HA       GLN  35  -2.282   5.976  -9.733
  207    HB2  GLN  35           2HB      GLN  35   0.198   5.209 -10.653
  208    HB3  GLN  35           1HB      GLN  35  -0.862   4.007 -11.392
  209    HG2  GLN  35           2HG      GLN  35  -2.337   5.923 -12.152
  210    HG3  GLN  35           1HG      GLN  35  -1.064   7.021 -11.616
  211   HE21  GLN  35          1HE2      GLN  35   1.147   5.205 -12.410
  212   HE22  GLN  35          2HE2      GLN  35   1.198   5.234 -14.106
  213    H    CYS  36           H        CYS  36  -2.978   3.954  -7.797
  214    HA   CYS  36           HA       CYS  36  -4.529   2.207  -7.577
  215    HB2  CYS  36           2HB      CYS  36  -5.097   2.388 -10.528
  216    HB3  CYS  36           1HB      CYS  36  -6.210   2.037  -9.202
  217    H    LYS  37           H        LYS  37  -1.758   1.633  -8.198
  218    HA   LYS  37           HA       LYS  37  -2.136  -1.089  -9.313
  219    HB2  LYS  37           2HB      LYS  37  -0.825   1.076 -10.711
  220    HB3  LYS  37           1HB      LYS  37   0.342  -0.195 -10.343
  221    HG2  LYS  37           2HG      LYS  37  -1.608  -1.779 -11.185
  222    HG3  LYS  37           1HG      LYS  37  -2.128  -0.323 -12.033
  223    HD2  LYS  37           2HD      LYS  37   0.760  -0.853 -12.236
  224    HD3  LYS  37           1HD      LYS  37  -0.249  -2.094 -12.980
  225    HE2  LYS  37           2HE      LYS  37  -0.598  -0.740 -14.741
  226    HE3  LYS  37           1HE      LYS  37  -1.362   0.436 -13.672
  227    HZ1  LYS  37           3HZ      LYS  37   1.127   0.605 -14.958
  228    HZ2  LYS  37           1HZ      LYS  37   1.397   0.587 -13.284
  229    HZ3  LYS  37           2HZ      LYS  37   0.370   1.757 -13.965
  230    H    PHE  38           H        PHE  38  -0.311  -2.524  -8.719
  231    HA   PHE  38           HA       PHE  38   0.700  -1.874  -6.058
  232    HB2  PHE  38           2HB      PHE  38   1.052  -4.254  -7.890
  233    HB3  PHE  38           1HB      PHE  38   1.900  -4.124  -6.354
  234    HD1  PHE  38           2HD      PHE  38  -0.258  -2.716  -4.754
  235    HD2  PHE  38           1HD      PHE  38  -0.422  -6.062  -7.446
  236    HE1  PHE  38           2HE      PHE  38  -2.264  -3.565  -3.579
  237    HE2  PHE  38           1HE      PHE  38  -2.427  -6.913  -6.262
  238    HZ   PHE  38           HZ       PHE  38  -3.350  -5.662  -4.330
  239    H    SER  39           H        SER  39   2.484  -0.623  -5.791
  240    HA   SER  39           HA       SER  39   4.296   0.057  -7.889
  241    HB2  SER  39           2HB      SER  39   4.098   0.517  -5.013
  242    HB3  SER  39           1HB      SER  39   5.768   0.298  -5.529
  243    HG   SER  39           HG       SER  39   4.667   2.492  -5.672
  244    H    ARG  40           H        ARG  40   6.723  -0.515  -7.785
  245    HA   ARG  40           HA       ARG  40   6.970  -3.412  -7.921
  246    HB2  ARG  40           2HB      ARG  40   9.244  -1.419  -7.990
  247    HB3  ARG  40           1HB      ARG  40   9.170  -3.011  -8.746
  248    HG2  ARG  40           2HG      ARG  40   7.205  -2.111 -10.117
  249    HG3  ARG  40           1HG      ARG  40   7.664  -0.510  -9.533
  250    HD2  ARG  40           2HD      ARG  40  10.076  -1.602 -10.370
  251    HD3  ARG  40           1HD      ARG  40   8.928  -2.167 -11.585
  252    HE   ARG  40           HE       ARG  40   9.009   0.029 -12.414
  253   HH11  ARG  40          1HH1      ARG  40  11.102   0.602 -10.156
  254   HH12  ARG  40          2HH1      ARG  40  10.419   2.046  -9.487
  255   HH21  ARG  40          1HH2      ARG  40   7.351   1.637 -11.051
  256   HH22  ARG  40          2HH2      ARG  40   8.296   2.632  -9.994
  257    H    ALA  41           H        ALA  41   8.491  -4.681  -6.633
  258    HA   ALA  41           HA       ALA  41   8.407  -4.006  -3.808
  259    HB1  ALA  41           1HB      ALA  41   8.524  -6.360  -5.017
  260    HB2  ALA  41           2HB      ALA  41   9.284  -6.133  -3.443
  261    HB3  ALA  41           3HB      ALA  41  10.262  -6.093  -4.909
  262    H    GLY  42           H        GLY  42  10.491  -4.020  -2.487
  263    HA2  GLY  42           2HA      GLY  42  12.604  -3.077  -2.049
  264    HA3  GLY  42           1HA      GLY  42  12.946  -3.205  -3.778
  265    H    LYS  43           H        LYS  43  10.004  -1.643  -2.850
  266    HA   LYS  43           HA       LYS  43  11.172   0.922  -3.830
  267    HB2  LYS  43           2HB      LYS  43   9.227   0.992  -4.965
  268    HB3  LYS  43           1HB      LYS  43   8.590  -0.372  -4.061
  269    HG2  LYS  43           2HG      LYS  43   7.106   1.488  -3.666
  270    HG3  LYS  43           1HG      LYS  43   8.031   1.256  -2.189
  271    HD2  LYS  43           2HD      LYS  43   8.881   3.332  -2.341
  272    HD3  LYS  43           1HD      LYS  43   9.469   3.008  -3.973
  273    HE2  LYS  43           2HE      LYS  43   7.895   4.406  -4.762
  274    HE3  LYS  43           1HE      LYS  43   6.667   3.273  -4.198
  275    HZ1  LYS  43           3HZ      LYS  43   6.347   4.433  -2.268
  276    HZ2  LYS  43           1HZ      LYS  43   6.694   5.707  -3.333
  277    HZ3  LYS  43           2HZ      LYS  43   7.897   5.127  -2.282
  278    H    ILE  44           H        ILE  44  11.638   2.537  -2.443
  279    HA   ILE  44           HA       ILE  44  11.440   2.236   0.362
  280    HB   ILE  44           HB       ILE  44  12.249   4.343  -1.511
  281   HG12  ILE  44          2HG1      ILE  44  13.812   3.016  -0.193
  282   HG13  ILE  44          1HG1      ILE  44  13.919   4.705   0.311
  283   HG21  ILE  44          1HG2      ILE  44  10.676   5.824  -0.563
  284   HG22  ILE  44          2HG2      ILE  44  12.118   6.089   0.418
  285   HG23  ILE  44          3HG2      ILE  44  10.806   5.084   1.032
  286   HD11  ILE  44          3HD1      ILE  44  13.472   4.039   2.416
  287   HD12  ILE  44          1HD1      ILE  44  13.160   2.389   1.875
  288   HD13  ILE  44          2HD1      ILE  44  11.860   3.581   1.870
  289    H    CYS  45           H        CYS  45   9.364   1.655   0.994
  290    HA   CYS  45           HA       CYS  45   7.036   3.214   0.181
  291    HB2  CYS  45           2HB      CYS  45   5.893   1.829   1.994
  292    HB3  CYS  45           1HB      CYS  45   6.624   0.899   0.685
  293    H    ARG  46           H        ARG  46   9.128   2.955   2.992
  294    HA   ARG  46           HA       ARG  46   8.414   5.661   3.834
  295    HB2  ARG  46           2HB      ARG  46   6.870   3.547   4.860
  296    HB3  ARG  46           1HB      ARG  46   8.018   3.942   6.140
  297    HG2  ARG  46           2HG      ARG  46   6.923   5.849   6.615
  298    HG3  ARG  46           1HG      ARG  46   7.001   6.364   4.930
  299    HD2  ARG  46           2HD      ARG  46   4.864   5.739   4.531
  300    HD3  ARG  46           1HD      ARG  46   5.076   4.198   5.364
  301    HE   ARG  46           HE       ARG  46   4.699   5.481   7.509
  302   HH11  ARG  46          1HH1      ARG  46   4.533   7.667   4.990
  303   HH12  ARG  46          2HH1      ARG  46   2.983   8.316   5.412
  304   HH21  ARG  46          1HH2      ARG  46   2.347   5.928   7.843
  305   HH22  ARG  46          2HH2      ARG  46   1.745   7.332   7.026
  306    H    ILE  47           H        ILE  47  10.269   6.529   4.647
  307    HA   ILE  47           HA       ILE  47  12.655   5.008   4.955
  308    HB   ILE  47           HB       ILE  47  12.249   7.610   4.697
  309   HG12  ILE  47          2HG1      ILE  47  14.546   7.585   6.319
  310   HG13  ILE  47          1HG1      ILE  47  14.439   5.961   5.636
  311   HG21  ILE  47          1HG2      ILE  47  11.114   7.663   6.997
  312   HG22  ILE  47          2HG2      ILE  47  12.368   8.871   6.715
  313   HG23  ILE  47          3HG2      ILE  47  12.725   7.437   7.678
  314   HD11  ILE  47          3HD1      ILE  47  13.868   8.139   3.726
  315   HD12  ILE  47          1HD1      ILE  47  14.847   6.688   3.518
  316   HD13  ILE  47          2HD1      ILE  47  15.526   8.100   4.326
  317    H    ALA  48           H        ALA  48  13.656   4.136   6.797
  318    HA   ALA  48           HA       ALA  48  11.874   3.338   8.943
  319    HB1  ALA  48           1HB      ALA  48  14.891   3.086   8.859
  320    HB2  ALA  48           2HB      ALA  48  13.797   1.959   8.056
  321    HB3  ALA  48           3HB      ALA  48  13.763   2.121   9.812
  322    H    ARG  49           H        ARG  49  11.884   4.047  11.100
  323    HA   ARG  49           HA       ARG  49  13.005   6.754  11.505
  324    HB2  ARG  49           2HB      ARG  49  11.240   5.076  13.316
  325    HB3  ARG  49           1HB      ARG  49  11.618   6.786  13.526
  326    HG2  ARG  49           2HG      ARG  49  10.123   5.559  11.189
  327    HG3  ARG  49           1HG      ARG  49   9.423   6.554  12.466
  328    HD2  ARG  49           2HD      ARG  49  11.376   8.221  11.652
  329    HD3  ARG  49           1HD      ARG  49  11.096   7.358  10.141
  330    HE   ARG  49           HE       ARG  49   8.727   8.095  10.271
  331   HH11  ARG  49          1HH2      ARG  49  11.128  10.231  10.969
  332   HH12  ARG  49          2HH2      ARG  49  10.160  11.348  11.872
  333   HH21  ARG  49          1HH1      ARG  49   7.414   9.235  12.047
  334   HH22  ARG  49          2HH1      ARG  49   8.057  10.784  12.482
  335    H    GLY  50           H        GLY  50  15.156   6.649  12.061
  336    HA2  GLY  50           2HA      GLY  50  16.280   6.248  14.428
  337    HA3  GLY  50           1HA      GLY  50  16.035   4.560  13.980
  338    H    ASP  51           H        ASP  51  17.821   3.660  13.088
  339    HA   ASP  51           HA       ASP  51  19.358   5.178  11.072
  340    HB2  ASP  51           2HB      ASP  51  20.247   4.849  13.795
  341    HB3  ASP  51           1HB      ASP  51  21.317   3.956  12.714
  342    H    TRP  52           H        TRP  52  17.678   2.949  10.727
  343    HA   TRP  52           HA       TRP  52  19.696   0.832  10.108
  344    HB2  TRP  52           2HB      TRP  52  17.437  -0.636  10.300
  345    HB3  TRP  52           1HB      TRP  52  18.510  -0.357  11.671
  346    HD1  TRP  52           HD       TRP  52  15.464   1.369  10.027
  347    HE1  TRP  52           1HE      TRP  52  14.004   2.380  11.896
  348    HE3  TRP  52           3HE      TRP  52  18.301   0.178  14.099
  349    HZ2  TRP  52           2HZ      TRP  52  14.037   2.648  14.741
  350    HZ3  TRP  52           3HZ      TRP  52  17.564   0.822  16.376
  351    HH2  TRP  52           HH       TRP  52  15.437   2.056  16.701
  352    H    ASN  53           H        ASN  53  18.188  -0.822   8.540
  353    HA   ASN  53           HA       ASN  53  18.150   0.501   6.030
  354    HB2  ASN  53           2HB      ASN  53  16.667  -2.012   6.862
  355    HB3  ASN  53           1HB      ASN  53  16.987  -1.514   5.201
  356   HD21  ASN  53          1HD2      ASN  53  17.996  -3.980   6.449
  357   HD22  ASN  53          2HD2      ASN  53  19.690  -3.873   6.443
  358    H    ASP  54           H        ASP  54  16.431   1.278   4.748
  359    HA   ASP  54           HA       ASP  54  14.175   2.404   6.245
  360    HB2  ASP  54           2HB      ASP  54  14.606   2.442   3.247
  361    HB3  ASP  54           1HB      ASP  54  13.647   3.564   4.212
  362    H    ASP  55           H        ASP  55  11.943   2.191   4.964
  363    HA   ASP  55           HA       ASP  55  11.354  -0.694   4.932
  364    HB2  ASP  55           2HB      ASP  55   9.482   1.650   4.483
  365    HB3  ASP  55           1HB      ASP  55   9.019  -0.014   4.846
  366    H    ARG  56           H        ARG  56  10.800  -1.860   3.098
  367    HA   ARG  56           HA       ARG  56  10.922  -0.382   0.492
  368    HB2  ARG  56           2HB      ARG  56  11.827  -3.222   1.049
  369    HB3  ARG  56           1HB      ARG  56  11.977  -2.349  -0.475
  370    HG2  ARG  56           2HG      ARG  56  13.117  -0.941   1.851
  371    HG3  ARG  56           1HG      ARG  56  13.933  -2.449   1.436
  372    HD2  ARG  56           2HD      ARG  56  14.420  -1.711  -0.764
  373    HD3  ARG  56           1HD      ARG  56  13.258  -0.389  -0.664
  374    HE   ARG  56           HE       ARG  56  14.828   0.833   0.715
  375   HH11  ARG  56          1HH2      ARG  56  15.818  -2.410   0.295
  376   HH12  ARG  56          2HH2      ARG  56  17.513  -2.058   0.365
  377   HH21  ARG  56          1HH1      ARG  56  17.059   1.376   0.535
  378   HH22  ARG  56          2HH1      ARG  56  18.215   0.086   0.502
  379    H    CYS  57           H        CYS  57   9.352  -0.819  -0.975
  380    HA   CYS  57           HA       CYS  57   6.892  -1.999  -0.124
  381    HB2  CYS  57           2HB      CYS  57   7.887  -0.592  -2.380
  382    HB3  CYS  57           1HB      CYS  57   7.112  -2.054  -2.978
  383    H    THR  58           H        THR  58   6.062  -4.038  -0.468
  384    HA   THR  58           HA       THR  58   7.902  -6.226  -0.813
  385    HB   THR  58           HB       THR  58   5.158  -7.012  -1.227
  386    HG1  THR  58           1HG      THR  58   4.541  -5.123  -0.276
  387   HG21  THR  58          3HG2      THR  58   7.179  -7.293   1.004
  388   HG22  THR  58          1HG2      THR  58   6.751  -8.490  -0.219
  389   HG23  THR  58          2HG2      THR  58   5.594  -8.066   1.043
  390    H    GLY  59           H        GLY  59   5.744  -4.511  -3.002
  391    HA2  GLY  59           1HA      GLY  59   6.442  -4.610  -5.407
  392    HA3  GLY  59           2HA      GLY  59   6.701  -6.335  -5.170
  393    H    GLN  60           H        GLN  60   4.344  -6.923  -3.692
  394    HA   GLN  60           HA       GLN  60   2.215  -6.286  -5.696
  395    HB2  GLN  60           2HB      GLN  60   1.427  -8.719  -4.933
  396    HB3  GLN  60           1HB      GLN  60   2.580  -8.499  -6.249
  397    HG2  GLN  60           2HG      GLN  60   4.445  -8.942  -4.807
  398    HG3  GLN  60           1HG      GLN  60   3.431  -8.860  -3.366
  399   HE21  GLN  60          1HE2      GLN  60   3.047 -10.616  -6.504
  400   HE22  GLN  60          2HE2      GLN  60   2.810 -12.136  -5.785
  401    H    SER  61           H        SER  61   3.142  -6.024  -2.510
  402    HA   SER  61           HA       SER  61   0.403  -6.396  -1.429
  403    HB2  SER  61           2HB      SER  61   1.670  -7.115   0.308
  404    HB3  SER  61           1HB      SER  61   3.118  -6.333  -0.317
  405    HG   SER  61           HG       SER  61   2.762  -4.998   1.276
  406    H    ALA  62           H        ALA  62  -0.962  -4.683  -1.543
  407    HA   ALA  62           HA       ALA  62  -0.362  -2.100  -2.395
  408    HB1  ALA  62           1HB      ALA  62  -2.369  -1.516  -0.703
  409    HB2  ALA  62           2HB      ALA  62  -2.534  -3.272  -0.726
  410    HB3  ALA  62           3HB      ALA  62  -2.637  -2.356  -2.225
  411    H    ASP  63           H        ASP  63  -0.374  -3.303   0.966
  412    HA   ASP  63           HA       ASP  63   0.644  -0.734   1.954
  413    HB2  ASP  63           2HB      ASP  63   0.520  -3.356   3.463
  414    HB3  ASP  63           1HB      ASP  63   0.545  -1.723   4.131
  415    H    CYS  64           H        CYS  64   2.623  -1.315   3.693
  416    HA   CYS  64           HA       CYS  64   4.681  -2.775   2.096
  417    HB2  CYS  64           2HB      CYS  64   5.081  -0.429   1.691
  418    HB3  CYS  64           1HB      CYS  64   4.945  -0.059   3.409
  419    HA   PRO  65           HA       PRO  65   5.334  -4.740   5.952
  420    HB2  PRO  65           2HB      PRO  65   7.475  -6.215   5.100
  421    HB3  PRO  65           1HB      PRO  65   5.803  -6.634   4.729
  422    HG2  PRO  65           2HG      PRO  65   7.907  -5.486   2.967
  423    HG3  PRO  65           1HG      PRO  65   6.476  -6.437   2.533
  424    HD2  PRO  65           2HD      PRO  65   6.748  -3.631   2.290
  425    HD3  PRO  65           1HD      PRO  65   5.237  -4.557   2.160
  426    H    ARG  66           H        ARG  66   6.691  -4.366   7.725
  427    HA   ARG  66           HA       ARG  66   9.154  -2.751   7.193
  428    HB2  ARG  66           2HB      ARG  66   7.849  -2.554   9.858
  429    HB3  ARG  66           1HB      ARG  66   8.643  -1.306   8.901
  430    HG2  ARG  66           2HG      ARG  66   6.618  -1.532   7.298
  431    HG3  ARG  66           1HG      ARG  66   5.831  -2.359   8.643
  432    HD2  ARG  66           2HD      ARG  66   6.391  -0.376  10.092
  433    HD3  ARG  66           1HD      ARG  66   6.954   0.455   8.642
  434    HE   ARG  66           HE       ARG  66   4.694   0.936   8.234
  435   HH11  ARG  66          1HH1      ARG  66   4.150  -0.410  11.010
  436   HH12  ARG  66          2HH1      ARG  66   2.847  -1.464  10.569
  437   HH21  ARG  66          1HH2      ARG  66   3.390  -1.141   7.159
  438   HH22  ARG  66          2HH2      ARG  66   2.417  -1.879   8.388
  439    H    ASN  67           H        ASN  67  10.764  -2.961   9.054
  440    HA   ASN  67           HA       ASN  67  11.225  -5.799   9.558
  441    HB2  ASN  67           2HB      ASN  67  12.698  -3.275  10.362
  442    HB3  ASN  67           1HB      ASN  67  13.241  -4.890  10.820
  443   HD21  ASN  67          1HD2      ASN  67  13.727  -2.549   8.504
  444   HD22  ASN  67          2HD2      ASN  67  14.235  -3.531   7.216
  445    HA   PRO  68           HA       PRO  68   9.501  -5.992  13.598
  446    HB2  PRO  68           2HB      PRO  68  11.199  -7.805  14.772
  447    HB3  PRO  68           1HB      PRO  68   9.982  -8.252  13.564
  448    HG2  PRO  68           2HG      PRO  68  12.937  -8.016  13.251
  449    HG3  PRO  68           1HG      PRO  68  11.792  -9.027  12.356
  450    HD2  PRO  68           2HD      PRO  68  12.917  -6.601  11.442
  451    HD3  PRO  68           1HD      PRO  68  11.525  -7.437  10.722
  452    H    TRP  69           H        TRP  69  11.001  -3.679  13.386
  453    HA   TRP  69           HA       TRP  69  12.415  -3.618  16.009
  454    HB2  TRP  69           2HB      TRP  69  13.341  -2.292  13.438
  455    HB3  TRP  69           1HB      TRP  69  14.125  -2.141  15.011
  456    HD1  TRP  69           HD       TRP  69  14.638  -3.926  11.987
  457    HE1  TRP  69           1HE      TRP  69  15.816  -6.190  12.358
  458    HE3  TRP  69           3HE      TRP  69  13.905  -4.466  16.988
  459    HZ2  TRP  69           2HZ      TRP  69  16.371  -7.998  14.513
  460    HZ3  TRP  69           3HZ      TRP  69  14.760  -6.464  18.190
  461    HH2  TRP  69           HH       TRP  69  15.989  -8.231  16.956
  462    H    ASN  70           H        ASN  70  12.165  -0.955  13.731
  463    HA   ASN  70           HA       ASN  70  10.709   0.616  15.738
  464    HB2  ASN  70           2HB      ASN  70  11.105   2.495  14.302
  465    HB3  ASN  70           1HB      ASN  70  12.579   1.527  14.265
  466   HD21  ASN  70          1HD2      ASN  70  12.869   0.077  12.329
  467   HD22  ASN  70          2HD2      ASN  70  12.122   0.496  10.864
  468    H    GLY  71           H        GLY  71   8.520   0.763  15.784
  469    HA2  GLY  71           2HA      GLY  71   6.991   0.577  13.258
  470    HA3  GLY  71           1HA      GLY  71   6.632  -0.635  14.488
  Start of MODEL    5
    1    H    GLY   1           1HT      GLY   1 -14.428 -12.619  -0.659
    2    HA2  GLY   1           1HA      GLY   1 -14.699 -12.410   1.516
    3    HA3  GLY   1           2HA      GLY   1 -12.954 -12.484   1.759
    4    H    LYS   2           H        LYS   2 -12.098 -10.234   0.385
    5    HA   LYS   2           HA       LYS   2 -12.906  -8.121   2.234
    6    HB2  LYS   2           2HB      LYS   2 -10.859  -8.447   0.082
    7    HB3  LYS   2           1HB      LYS   2 -11.340  -6.804   0.509
    8    HG2  LYS   2           2HG      LYS   2 -10.990  -7.623   2.972
    9    HG3  LYS   2           1HG      LYS   2 -10.021  -8.891   2.224
   10    HD2  LYS   2           2HD      LYS   2  -9.143  -6.616   0.923
   11    HD3  LYS   2           1HD      LYS   2  -9.413  -6.043   2.570
   12    HE2  LYS   2           2HE      LYS   2  -7.217  -6.844   2.688
   13    HE3  LYS   2           1HE      LYS   2  -8.147  -8.230   3.259
   14    HZ1  LYS   2           3HZ      LYS   2  -7.695  -9.409   1.416
   15    HZ2  LYS   2           1HZ      LYS   2  -6.361  -8.369   1.297
   16    HZ3  LYS   2           2HZ      LYS   2  -7.760  -8.058   0.387
   17    H    GLU   3           H        GLU   3 -14.480  -6.626   1.855
   18    HA   GLU   3           HA       GLU   3 -15.567  -6.445  -0.926
   19    HB2  GLU   3           2HB      GLU   3 -16.859  -6.900   1.552
   20    HB3  GLU   3           1HB      GLU   3 -17.292  -5.262   1.062
   21    HG2  GLU   3           2HG      GLU   3 -17.596  -6.485  -1.309
   22    HG3  GLU   3           1HG      GLU   3 -17.921  -7.861  -0.254
   23    H    CYS   4           H        CYS   4 -13.400  -4.877   0.812
   24    HA   CYS   4           HA       CYS   4 -14.224  -2.249  -0.296
   25    HB2  CYS   4           2HB      CYS   4 -13.733  -2.901   2.574
   26    HB3  CYS   4           1HB      CYS   4 -13.119  -1.360   1.975
   27    H    ASP   5           H        ASP   5 -12.550  -1.490  -1.501
   28    HA   ASP   5           HA       ASP   5  -9.827  -2.565  -0.951
   29    HB2  ASP   5           2HB      ASP   5 -11.205  -2.320  -3.323
   30    HB3  ASP   5           1HB      ASP   5 -10.195  -0.874  -3.332
   31    H    CYS   6           H        CYS   6 -11.732   0.228  -0.541
   32    HA   CYS   6           HA       CYS   6  -9.268   1.799   0.075
   33    HB2  CYS   6           2HB      CYS   6 -10.353   3.816  -0.796
   34    HB3  CYS   6           1HB      CYS   6 -10.278   2.588  -2.059
   35    H    SER   7           H        SER   7  -9.788   3.636   1.618
   36    HA   SER   7           HA       SER   7 -11.787   2.675   3.607
   37    HB2  SER   7           2HB      SER   7  -9.292   4.354   3.809
   38    HB3  SER   7           1HB      SER   7 -10.499   4.371   5.093
   39    HG   SER   7           HG       SER   7 -10.262   2.104   5.229
   40    H    SER   8           H        SER   8 -11.069   5.287   1.437
   41    HA   SER   8           HA       SER   8 -13.206   6.939   2.702
   42    HB2  SER   8           2HB      SER   8 -10.945   7.618   0.816
   43    HB3  SER   8           1HB      SER   8 -12.285   8.725   1.104
   44    HG   SER   8           HG       SER   8 -10.131   8.203   2.634
   45    HA   PRO   9           HA       PRO   9 -15.778   5.838  -0.722
   46    HB2  PRO   9           2HB      PRO   9 -17.761   7.677  -0.241
   47    HB3  PRO   9           1HB      PRO   9 -17.561   6.188   0.699
   48    HG2  PRO   9           2HG      PRO   9 -16.924   8.993   1.477
   49    HG3  PRO   9           1HG      PRO   9 -17.319   7.607   2.505
   50    HD2  PRO   9           2HD      PRO   9 -14.722   8.653   2.034
   51    HD3  PRO   9           1HD      PRO   9 -15.106   7.105   2.816
   52    H    GLU  10           H        GLU  10 -14.925   9.235  -0.120
   53    HA   GLU  10           HA       GLU  10 -15.739  10.264  -2.664
   54    HB2  GLU  10           2HB      GLU  10 -13.410  11.276  -1.012
   55    HB3  GLU  10           1HB      GLU  10 -14.426  12.198  -2.123
   56    HG2  GLU  10           2HG      GLU  10 -16.004  10.847  -0.076
   57    HG3  GLU  10           1HG      GLU  10 -14.817  11.946   0.627
   58    H    ASN  11           H        ASN  11 -13.228   8.140  -1.796
   59    HA   ASN  11           HA       ASN  11 -11.289   8.871  -3.805
   60    HB2  ASN  11           2HB      ASN  11 -10.781   7.456  -1.806
   61    HB3  ASN  11           1HB      ASN  11 -11.754   6.167  -2.515
   62   HD21  ASN  11          1HD2      ASN  11  -9.066   5.600  -2.057
   63   HD22  ASN  11          2HD2      ASN  11  -8.218   5.553  -3.528
   64    HA   PRO  12           HA       PRO  12 -13.792   7.235  -7.136
   65    HB2  PRO  12           2HB      PRO  12 -12.096   8.062  -9.138
   66    HB3  PRO  12           1HB      PRO  12 -13.263   9.128  -8.334
   67    HG2  PRO  12           2HG      PRO  12 -10.301   8.996  -8.002
   68    HG3  PRO  12           1HG      PRO  12 -11.398  10.365  -7.759
   69    HD2  PRO  12           2HD      PRO  12 -10.281   8.762  -5.715
   70    HD3  PRO  12           1HD      PRO  12 -11.633   9.898  -5.526
   71    H    CYS  13           H        CYS  13 -10.315   6.659  -6.719
   72    HA   CYS  13           HA       CYS  13  -9.869   4.643  -8.609
   73    HB2  CYS  13           2HB      CYS  13  -8.261   5.682  -6.833
   74    HB3  CYS  13           1HB      CYS  13  -8.818   4.365  -5.799
   75    H    CYS  14           H        CYS  14 -11.843   4.559  -5.752
   76    HA   CYS  14           HA       CYS  14 -12.360   1.658  -6.268
   77    HB2  CYS  14           2HB      CYS  14 -12.694   1.306  -3.909
   78    HB3  CYS  14           1HB      CYS  14 -11.153   2.141  -4.096
   79    H    ASP  15           H        ASP  15 -14.411   1.233  -6.811
   80    HA   ASP  15           HA       ASP  15 -16.388   3.291  -7.054
   81    HB2  ASP  15           2HB      ASP  15 -16.105   0.849  -8.142
   82    HB3  ASP  15           1HB      ASP  15 -17.245   0.451  -6.862
   83    H    ALA  16           H        ALA  16 -17.988   3.929  -5.645
   84    HA   ALA  16           HA       ALA  16 -17.767   3.146  -2.859
   85    HB1  ALA  16           1HB      ALA  16 -19.593   4.715  -2.483
   86    HB2  ALA  16           2HB      ALA  16 -19.956   4.753  -4.209
   87    HB3  ALA  16           3HB      ALA  16 -18.444   5.436  -3.611
   88    H    ALA  17           H        ALA  17 -20.112   2.503  -5.461
   89    HA   ALA  17           HA       ALA  17 -22.112   1.190  -4.010
   90    HB1  ALA  17           1HB      ALA  17 -22.027   1.633  -6.529
   91    HB2  ALA  17           2HB      ALA  17 -22.712   0.083  -6.043
   92    HB3  ALA  17           3HB      ALA  17 -21.060   0.163  -6.655
   93    H    THR  18           H        THR  18 -19.075  -0.191  -5.282
   94    HA   THR  18           HA       THR  18 -19.589  -2.629  -3.648
   95    HB   THR  18           HB       THR  18 -19.037  -3.202  -5.906
   96    HG1  THR  18           1HG      THR  18 -17.836  -4.267  -4.180
   97   HG21  THR  18          3HG2      THR  18 -16.613  -2.268  -6.625
   98   HG22  THR  18          1HG2      THR  18 -17.149  -0.930  -5.608
   99   HG23  THR  18          2HG2      THR  18 -18.112  -1.419  -7.003
  100    H    CYS  19           H        CYS  19 -17.916   0.303  -3.543
  101    HA   CYS  19           HA       CYS  19 -16.286   1.116  -2.059
  102    HB2  CYS  19           2HB      CYS  19 -17.718   0.012  -0.370
  103    HB3  CYS  19           1HB      CYS  19 -16.872  -1.507  -0.649
  104    H    LYS  20           H        LYS  20 -15.681  -0.917  -4.319
  105    HA   LYS  20           HA       LYS  20 -12.934  -1.584  -3.333
  106    HB2  LYS  20           2HB      LYS  20 -14.643  -3.225  -5.222
  107    HB3  LYS  20           1HB      LYS  20 -13.002  -3.620  -4.711
  108    HG2  LYS  20           2HG      LYS  20 -14.647  -3.087  -2.399
  109    HG3  LYS  20           1HG      LYS  20 -15.412  -4.313  -3.409
  110    HD2  LYS  20           2HD      LYS  20 -12.478  -4.565  -2.940
  111    HD3  LYS  20           1HD      LYS  20 -13.553  -4.952  -1.596
  112    HE2  LYS  20           2HE      LYS  20 -14.629  -6.676  -2.796
  113    HE3  LYS  20           1HE      LYS  20 -14.042  -6.080  -4.349
  114    HZ1  LYS  20           3HZ      LYS  20 -12.586  -7.555  -2.259
  115    HZ2  LYS  20           1HZ      LYS  20 -11.737  -6.549  -3.329
  116    HZ3  LYS  20           2HZ      LYS  20 -12.653  -7.848  -3.931
  117    H    LEU  21           H        LEU  21 -11.489  -2.104  -5.363
  118    HA   LEU  21           HA       LEU  21 -11.286   0.298  -6.905
  119    HB2  LEU  21           2HB      LEU  21 -10.019  -2.433  -7.161
  120    HB3  LEU  21           1HB      LEU  21  -9.653  -1.124  -8.285
  121    HG   LEU  21           HG       LEU  21  -9.537  -0.376  -5.427
  122   HD11  LEU  21          1HD1      LEU  21  -8.540  -2.802  -5.772
  123   HD12  LEU  21          2HD1      LEU  21  -7.665  -1.607  -4.814
  124   HD13  LEU  21          3HD1      LEU  21  -7.193  -1.915  -6.484
  125   HD21  LEU  21          3HD2      LEU  21  -8.711   1.303  -6.777
  126   HD22  LEU  21          1HD2      LEU  21  -8.134   0.175  -8.004
  127   HD23  LEU  21          2HD2      LEU  21  -7.213   0.410  -6.519
  128    H    ARG  22           H        ARG  22 -12.346   0.874  -8.734
  129    HA   ARG  22           HA       ARG  22 -14.250  -0.993  -9.939
  130    HB2  ARG  22           2HB      ARG  22 -14.063   1.788  -9.709
  131    HB3  ARG  22           1HB      ARG  22 -13.839   1.470 -11.429
  132    HG2  ARG  22           2HG      ARG  22 -15.943  -0.213 -10.403
  133    HG3  ARG  22           1HG      ARG  22 -16.275   1.468  -9.986
  134    HD2  ARG  22           2HD      ARG  22 -15.799   2.068 -12.394
  135    HD3  ARG  22           1HD      ARG  22 -15.733   0.341 -12.745
  136    HE   ARG  22           HE       ARG  22 -18.124   0.230 -11.979
  137   HH11  ARG  22          1HH2      ARG  22 -17.453   2.210 -14.363
  138   HH12  ARG  22          2HH2      ARG  22 -18.610   3.450 -14.016
  139   HH21  ARG  22          1HH1      ARG  22 -19.296   2.283 -10.824
  140   HH22  ARG  22          2HH1      ARG  22 -19.654   3.492 -12.012
  141    HA   PRO  23           HA       PRO  23 -11.341  -0.497 -13.690
  142    HB2  PRO  23           2HB      PRO  23  -9.012   0.915 -13.330
  143    HB3  PRO  23           1HB      PRO  23 -10.538   1.656 -13.842
  144    HG2  PRO  23           2HG      PRO  23  -9.192   1.782 -11.187
  145    HG3  PRO  23           1HG      PRO  23 -10.317   2.930 -11.929
  146    HD2  PRO  23           2HD      PRO  23 -10.952   1.024  -9.928
  147    HD3  PRO  23           1HD      PRO  23 -12.115   1.967 -10.885
  148    H    GLY  24           H        GLY  24  -8.560  -0.825 -13.947
  149    HA2  GLY  24           2HA      GLY  24  -8.182  -3.351 -12.464
  150    HA3  GLY  24           1HA      GLY  24  -7.194  -2.785 -13.811
  151    H    ALA  25           H        ALA  25  -7.921  -0.571 -11.236
  152    HA   ALA  25           HA       ALA  25  -5.115  -0.172 -10.662
  153    HB1  ALA  25           1HB      ALA  25  -6.188   1.780 -10.153
  154    HB2  ALA  25           2HB      ALA  25  -6.394   1.028  -8.572
  155    HB3  ALA  25           3HB      ALA  25  -7.699   0.962  -9.757
  156    H    GLN  26           H        GLN  26  -3.884  -1.043  -9.002
  157    HA   GLN  26           HA       GLN  26  -4.867  -3.426  -7.688
  158    HB2  GLN  26           2HB      GLN  26  -2.332  -1.804  -7.473
  159    HB3  GLN  26           1HB      GLN  26  -2.637  -3.175  -6.408
  160    HG2  GLN  26           2HG      GLN  26  -3.104  -3.637  -9.305
  161    HG3  GLN  26           1HG      GLN  26  -1.423  -3.437  -8.806
  162   HE21  GLN  26          1HE2      GLN  26  -0.836  -5.681  -9.019
  163   HE22  GLN  26          2HE2      GLN  26  -1.483  -6.888  -8.016
  164    H    CYS  27           H        CYS  27  -4.245  -0.087  -6.608
  165    HA   CYS  27           HA       CYS  27  -6.064  -0.580  -4.341
  166    HB2  CYS  27           2HB      CYS  27  -4.474  -0.730  -2.753
  167    HB3  CYS  27           1HB      CYS  27  -3.253  -0.739  -4.015
  168    H    GLY  28           H        GLY  28  -6.684   1.468  -3.273
  169    HA2  GLY  28           2HA      GLY  28  -6.550   3.730  -5.206
  170    HA3  GLY  28           1HA      GLY  28  -7.811   3.515  -3.996
  171    H    GLU  29           H        GLU  29  -5.670   2.722  -2.013
  172    HA   GLU  29           HA       GLU  29  -4.209   5.269  -1.680
  173    HB2  GLU  29           2HB      GLU  29  -5.160   5.805   0.413
  174    HB3  GLU  29           1HB      GLU  29  -6.539   5.397  -0.598
  175    HG2  GLU  29           2HG      GLU  29  -7.078   4.050   1.169
  176    HG3  GLU  29           1HG      GLU  29  -5.957   2.943   0.377
  177    H    GLY  30           H        GLY  30  -2.270   4.969  -0.581
  178    HA2  GLY  30           2HA      GLY  30  -1.560   3.163   1.371
  179    HA3  GLY  30           1HA      GLY  30  -1.445   2.207  -0.106
  180    H    LEU  31           H        LEU  31   0.874   2.544   1.248
  181    HA   LEU  31           HA       LEU  31   2.319   4.913   0.294
  182    HB2  LEU  31           2HB      LEU  31   2.845   2.643   2.114
  183    HB3  LEU  31           1HB      LEU  31   4.252   3.213   1.219
  184    HG   LEU  31           HG       LEU  31   3.924   4.387   3.412
  185   HD11  LEU  31          1HD1      LEU  31   4.827   5.391   1.097
  186   HD12  LEU  31          2HD1      LEU  31   4.696   6.381   2.551
  187   HD13  LEU  31          3HD1      LEU  31   3.439   6.455   1.316
  188   HD21  LEU  31          3HD2      LEU  31   1.544   4.474   3.603
  189   HD22  LEU  31          1HD2      LEU  31   1.372   5.228   2.018
  190   HD23  LEU  31          2HD2      LEU  31   2.059   6.144   3.360
  191    H    CYS  32           H        CYS  32   2.332   1.414  -0.386
  192    HA   CYS  32           HA       CYS  32   4.226   1.813  -2.616
  193    HB2  CYS  32           2HB      CYS  32   4.299  -0.194  -1.068
  194    HB3  CYS  32           1HB      CYS  32   2.791  -0.728  -1.806
  195    H    CYS  33           H        CYS  33   1.639   3.108  -2.843
  196    HA   CYS  33           HA       CYS  33   0.429   1.490  -5.043
  197    HB2  CYS  33           2HB      CYS  33  -0.763   3.526  -3.160
  198    HB3  CYS  33           1HB      CYS  33  -1.588   3.014  -4.632
  199    H    GLU  34           H        GLU  34   1.747   2.267  -6.729
  200    HA   GLU  34           HA       GLU  34   1.917   5.196  -7.140
  201    HB2  GLU  34           2HB      GLU  34   3.804   3.345  -7.530
  202    HB3  GLU  34           1HB      GLU  34   3.022   3.232  -9.108
  203    HG2  GLU  34           2HG      GLU  34   3.345   6.003  -8.343
  204    HG3  GLU  34           1HG      GLU  34   4.896   5.165  -8.286
  205    H    GLN  35           H        GLN  35   0.224   6.101  -8.205
  206    HA   GLN  35           HA       GLN  35  -1.487   6.380  -9.785
  207    HB2  GLN  35           2HB      GLN  35   0.627   5.106 -11.139
  208    HB3  GLN  35           1HB      GLN  35  -0.818   4.192 -11.568
  209    HG2  GLN  35           2HG      GLN  35  -0.571   7.209 -11.755
  210    HG3  GLN  35           1HG      GLN  35  -0.410   6.102 -13.119
  211   HE21  GLN  35          1HE2      GLN  35  -2.328   6.531 -14.286
  212   HE22  GLN  35          2HE2      GLN  35  -3.887   6.388 -13.628
  213    H    CYS  36           H        CYS  36  -1.889   4.681  -7.530
  214    HA   CYS  36           HA       CYS  36  -3.505   3.182  -6.734
  215    HB2  CYS  36           2HB      CYS  36  -4.501   3.880  -9.459
  216    HB3  CYS  36           1HB      CYS  36  -5.169   2.441  -8.698
  217    H    LYS  37           H        LYS  37  -0.949   2.328  -8.149
  218    HA   LYS  37           HA       LYS  37  -1.809  -0.489  -8.674
  219    HB2  LYS  37           2HB      LYS  37   0.298   1.167 -10.082
  220    HB3  LYS  37           1HB      LYS  37   0.211  -0.590 -10.220
  221    HG2  LYS  37           2HG      LYS  37  -2.418   0.375 -10.643
  222    HG3  LYS  37           1HG      LYS  37  -1.350   1.400 -11.602
  223    HD2  LYS  37           2HD      LYS  37  -0.269  -1.027 -12.136
  224    HD3  LYS  37           1HD      LYS  37  -1.954  -1.489 -11.889
  225    HE2  LYS  37           2HE      LYS  37  -2.631  -0.483 -13.805
  226    HE3  LYS  37           1HE      LYS  37  -1.625   0.937 -13.517
  227    HZ1  LYS  37           3HZ      LYS  37  -0.281   0.150 -15.075
  228    HZ2  LYS  37           1HZ      LYS  37  -1.110  -1.325 -15.157
  229    HZ3  LYS  37           2HZ      LYS  37   0.132  -1.113 -14.018
  230    H    PHE  38           H        PHE  38  -0.169  -2.110  -8.079
  231    HA   PHE  38           HA       PHE  38   1.201  -1.397  -5.599
  232    HB2  PHE  38           2HB      PHE  38   1.115  -3.946  -7.237
  233    HB3  PHE  38           1HB      PHE  38   2.006  -3.798  -5.728
  234    HD1  PHE  38           2HD      PHE  38  -0.310  -1.743  -4.701
  235    HD2  PHE  38           1HD      PHE  38  -0.190  -5.787  -6.151
  236    HE1  PHE  38           2HE      PHE  38  -2.370  -2.262  -3.432
  237    HE2  PHE  38           1HE      PHE  38  -2.252  -6.302  -4.879
  238    HZ   PHE  38           HZ       PHE  38  -3.344  -4.540  -3.519
  239    H    SER  39           H        SER  39   3.128  -0.338  -5.684
  240    HA   SER  39           HA       SER  39   4.777  -0.180  -8.006
  241    HB2  SER  39           2HB      SER  39   6.128   0.036  -5.374
  242    HB3  SER  39           1HB      SER  39   6.123   1.159  -6.731
  243    HG   SER  39           HG       SER  39   4.922   2.097  -5.136
  244    H    ARG  40           H        ARG  40   7.330  -0.905  -7.405
  245    HA   ARG  40           HA       ARG  40   7.148  -3.842  -7.507
  246    HB2  ARG  40           2HB      ARG  40   9.336  -1.823  -7.976
  247    HB3  ARG  40           1HB      ARG  40   9.730  -3.530  -7.775
  248    HG2  ARG  40           2HG      ARG  40   7.885  -3.938  -9.560
  249    HG3  ARG  40           1HG      ARG  40   8.076  -2.224  -9.927
  250    HD2  ARG  40           2HD      ARG  40  10.016  -4.471 -10.303
  251    HD3  ARG  40           1HD      ARG  40   9.648  -3.119 -11.374
  252    HE   ARG  40           HE       ARG  40  10.829  -1.867  -9.238
  253   HH11  ARG  40          1HH2      ARG  40  12.083  -4.685  -8.912
  254   HH12  ARG  40          2HH2      ARG  40  13.590  -4.447  -9.732
  255   HH21  ARG  40          1HH1      ARG  40  12.589  -1.507 -11.273
  256   HH22  ARG  40          2HH1      ARG  40  13.877  -2.646 -11.068
  257    H    ALA  41           H        ALA  41   8.441  -5.205  -6.068
  258    HA   ALA  41           HA       ALA  41   8.311  -4.367  -3.304
  259    HB1  ALA  41           1HB      ALA  41   8.250  -6.788  -4.375
  260    HB2  ALA  41           2HB      ALA  41   8.962  -6.548  -2.780
  261    HB3  ALA  41           3HB      ALA  41  10.001  -6.684  -4.196
  262    H    GLY  42           H        GLY  42  10.320  -4.452  -1.873
  263    HA2  GLY  42           2HA      GLY  42  12.501  -3.692  -1.392
  264    HA3  GLY  42           1HA      GLY  42  12.904  -3.977  -3.088
  265    H    LYS  43           H        LYS  43  10.123  -2.074  -2.254
  266    HA   LYS  43           HA       LYS  43  11.540   0.341  -3.346
  267    HB2  LYS  43           2HB      LYS  43   9.692  -0.155  -4.734
  268    HB3  LYS  43           1HB      LYS  43   8.659  -0.554  -3.367
  269    HG2  LYS  43           2HG      LYS  43   7.895   1.559  -3.337
  270    HG3  LYS  43           1HG      LYS  43   9.526   2.148  -3.027
  271    HD2  LYS  43           2HD      LYS  43   9.430   1.430  -5.769
  272    HD3  LYS  43           1HD      LYS  43   7.972   2.363  -5.437
  273    HE2  LYS  43           2HE      LYS  43   9.163   4.263  -4.816
  274    HE3  LYS  43           1HE      LYS  43  10.597   3.340  -4.363
  275    HZ1  LYS  43           3HZ      LYS  43  11.187   4.313  -6.362
  276    HZ2  LYS  43           1HZ      LYS  43   9.655   4.088  -7.055
  277    HZ3  LYS  43           2HZ      LYS  43  10.692   2.760  -6.841
  278    H    ILE  44           H        ILE  44  12.119   1.812  -1.811
  279    HA   ILE  44           HA       ILE  44  11.377   1.769   0.896
  280    HB   ILE  44           HB       ILE  44  13.226   3.157   0.069
  281   HG12  ILE  44          2HG1      ILE  44  12.433   5.383   1.192
  282   HG13  ILE  44          1HG1      ILE  44  10.955   4.485   1.541
  283   HG21  ILE  44          1HG2      ILE  44  12.982   4.801  -1.501
  284   HG22  ILE  44          2HG2      ILE  44  11.397   5.285  -0.895
  285   HG23  ILE  44          3HG2      ILE  44  11.548   3.868  -1.935
  286   HD11  ILE  44          3HD1      ILE  44  12.035   2.990   2.957
  287   HD12  ILE  44          1HD1      ILE  44  12.956   4.462   3.264
  288   HD13  ILE  44          2HD1      ILE  44  13.602   3.228   2.182
  289    H    CYS  45           H        CYS  45   9.205   1.559   1.358
  290    HA   CYS  45           HA       CYS  45   7.412   3.709   0.324
  291    HB2  CYS  45           2HB      CYS  45   5.619   1.900   1.125
  292    HB3  CYS  45           1HB      CYS  45   6.321   1.863  -0.485
  293    H    ARG  46           H        ARG  46   9.107   2.810   2.986
  294    HA   ARG  46           HA       ARG  46   7.568   4.606   4.668
  295    HB2  ARG  46           2HB      ARG  46   7.332   1.668   4.998
  296    HB3  ARG  46           1HB      ARG  46   7.609   2.588   6.476
  297    HG2  ARG  46           2HG      ARG  46   5.724   4.138   5.677
  298    HG3  ARG  46           1HG      ARG  46   5.342   2.882   4.499
  299    HD2  ARG  46           2HD      ARG  46   4.015   2.099   6.189
  300    HD3  ARG  46           1HD      ARG  46   5.524   1.373   6.743
  301    HE   ARG  46           HE       ARG  46   5.331   4.019   7.805
  302   HH11  ARG  46          1HH1      ARG  46   2.543   2.615   8.047
  303   HH12  ARG  46          2HH1      ARG  46   2.649   2.037   9.676
  304   HH21  ARG  46          1HH2      ARG  46   6.074   2.533   9.906
  305   HH22  ARG  46          2HH2      ARG  46   4.650   1.990  10.728
  306    H    ILE  47           H        ILE  47   8.905   5.516   6.205
  307    HA   ILE  47           HA       ILE  47  11.707   4.513   6.228
  308    HB   ILE  47           HB       ILE  47  11.101   6.946   5.655
  309   HG12  ILE  47          2HG1      ILE  47  12.921   7.070   7.985
  310   HG13  ILE  47          1HG1      ILE  47  13.317   5.831   6.794
  311   HG21  ILE  47          1HG2      ILE  47   9.478   6.981   7.690
  312   HG22  ILE  47          2HG2      ILE  47  10.461   8.411   7.378
  313   HG23  ILE  47          3HG2      ILE  47  10.932   7.277   8.643
  314   HD11  ILE  47          3HD1      ILE  47  13.094   8.813   6.386
  315   HD12  ILE  47          1HD1      ILE  47  13.009   7.689   5.030
  316   HD13  ILE  47          2HD1      ILE  47  14.461   7.759   6.028
  317    H    ALA  48           H        ALA  48  12.800   4.216   8.263
  318    HA   ALA  48           HA       ALA  48  10.916   3.803  10.550
  319    HB1  ALA  48           1HB      ALA  48  11.822   1.687   9.833
  320    HB2  ALA  48           2HB      ALA  48  12.635   2.124  11.335
  321    HB3  ALA  48           3HB      ALA  48  13.459   2.342   9.791
  322    H    ARG  49           H        ARG  49  11.299   5.013  12.340
  323    HA   ARG  49           HA       ARG  49  13.591   6.839  12.370
  324    HB2  ARG  49           2HB      ARG  49  11.205   6.392  14.160
  325    HB3  ARG  49           1HB      ARG  49  12.530   7.443  14.662
  326    HG2  ARG  49           2HG      ARG  49  11.953   8.163  11.998
  327    HG3  ARG  49           1HG      ARG  49  10.389   7.992  12.798
  328    HD2  ARG  49           2HD      ARG  49  12.345   9.356  14.484
  329    HD3  ARG  49           1HD      ARG  49  12.067  10.205  12.963
  330    HE   ARG  49           HE       ARG  49   9.624   9.363  14.362
  331   HH11  ARG  49          1HH2      ARG  49  10.848  11.203  16.275
  332   HH12  ARG  49          2HH2      ARG  49  10.355  12.764  15.708
  333   HH21  ARG  49          1HH1      ARG  49   9.480  11.632  12.550
  334   HH22  ARG  49          2HH1      ARG  49   9.581  13.006  13.599
  335    H    GLY  50           H        GLY  50  15.486   6.466  13.434
  336    HA2  GLY  50           2HA      GLY  50  16.262   5.536  15.758
  337    HA3  GLY  50           1HA      GLY  50  15.653   4.015  15.119
  338    H    ASP  51           H        ASP  51  16.512   3.701  12.734
  339    HA   ASP  51           HA       ASP  51  18.843   4.631  11.652
  340    HB2  ASP  51           2HB      ASP  51  20.573   3.002  12.682
  341    HB3  ASP  51           1HB      ASP  51  20.151   4.442  13.609
  342    H    TRP  52           H        TRP  52  17.523   1.576  12.835
  343    HA   TRP  52           HA       TRP  52  18.471  -0.281  11.048
  344    HB2  TRP  52           2HB      TRP  52  15.874  -1.037  11.005
  345    HB3  TRP  52           1HB      TRP  52  16.923  -1.297  12.397
  346    HD1  TRP  52           HD       TRP  52  14.419   1.314  11.063
  347    HE1  TRP  52           1HE      TRP  52  13.304   2.471  13.080
  348    HE3  TRP  52           3HE      TRP  52  17.012  -0.877  14.872
  349    HZ2  TRP  52           2HZ      TRP  52  13.494   2.467  15.937
  350    HZ3  TRP  52           3HZ      TRP  52  16.529  -0.283  17.228
  351    HH2  TRP  52           HH       TRP  52  14.775   1.385  17.766
  352    H    ASN  53           H        ASN  53  17.538  -1.145   9.002
  353    HA   ASN  53           HA       ASN  53  17.493   0.759   6.935
  354    HB2  ASN  53           2HB      ASN  53  16.810  -2.102   7.203
  355    HB3  ASN  53           1HB      ASN  53  16.033  -1.279   5.851
  356   HD21  ASN  53          1HD2      ASN  53  19.220  -0.374   7.164
  357   HD22  ASN  53          2HD2      ASN  53  20.100  -0.812   5.780
  358    H    ASP  54           H        ASP  54  15.758   1.572   5.624
  359    HA   ASP  54           HA       ASP  54  13.452   2.465   7.112
  360    HB2  ASP  54           2HB      ASP  54  13.848   2.465   4.107
  361    HB3  ASP  54           1HB      ASP  54  12.775   3.515   5.034
  362    H    ASP  55           H        ASP  55  11.749   1.929   4.522
  363    HA   ASP  55           HA       ASP  55  11.122  -0.935   5.093
  364    HB2  ASP  55           2HB      ASP  55   9.127   1.338   4.887
  365    HB3  ASP  55           1HB      ASP  55   8.704  -0.368   5.009
  366    H    ARG  56           H        ARG  56  11.104  -2.054   3.207
  367    HA   ARG  56           HA       ARG  56  10.826  -0.513   0.672
  368    HB2  ARG  56           2HB      ARG  56  11.764  -3.368   0.952
  369    HB3  ARG  56           1HB      ARG  56  12.039  -2.253  -0.385
  370    HG2  ARG  56           2HG      ARG  56  13.023  -1.424   2.307
  371    HG3  ARG  56           1HG      ARG  56  13.912  -2.698   1.473
  372    HD2  ARG  56           2HD      ARG  56  14.527  -1.306  -0.286
  373    HD3  ARG  56           1HD      ARG  56  13.158  -0.222  -0.042
  374    HE   ARG  56           HE       ARG  56  14.618   0.135   2.257
  375   HH11  ARG  56          1HH1      ARG  56  14.576   1.416  -0.777
  376   HH12  ARG  56          2HH1      ARG  56  16.213   1.982  -0.785
  377   HH21  ARG  56          1HH2      ARG  56  17.086   0.304   2.121
  378   HH22  ARG  56          2HH2      ARG  56  17.634   1.353   0.856
  379    H    CYS  57           H        CYS  57   9.308  -1.111  -0.883
  380    HA   CYS  57           HA       CYS  57   6.836  -2.187  -0.027
  381    HB2  CYS  57           2HB      CYS  57   7.195  -0.791  -2.102
  382    HB3  CYS  57           1HB      CYS  57   7.909  -2.209  -2.864
  383    H    THR  58           H        THR  58   5.999  -4.242  -0.097
  384    HA   THR  58           HA       THR  58   7.868  -6.450  -0.109
  385    HB   THR  58           HB       THR  58   5.089  -7.247  -0.289
  386    HG1  THR  58           1HG      THR  58   4.445  -6.123   1.599
  387   HG21  THR  58          3HG2      THR  58   6.722  -8.637   0.784
  388   HG22  THR  58          1HG2      THR  58   5.647  -8.046   2.052
  389   HG23  THR  58          2HG2      THR  58   7.238  -7.318   1.835
  390    H    GLY  59           H        GLY  59   5.782  -4.980  -2.476
  391    HA2  GLY  59           1HA      GLY  59   6.463  -5.524  -4.851
  392    HA3  GLY  59           2HA      GLY  59   6.433  -7.217  -4.357
  393    H    GLN  60           H        GLN  60   4.033  -6.952  -2.726
  394    HA   GLN  60           HA       GLN  60   1.985  -6.289  -4.790
  395    HB2  GLN  60           2HB      GLN  60   2.058  -8.794  -3.077
  396    HB3  GLN  60           1HB      GLN  60   0.750  -8.341  -4.169
  397    HG2  GLN  60           2HG      GLN  60   2.579  -8.241  -5.999
  398    HG3  GLN  60           1HG      GLN  60   3.572  -9.153  -4.858
  399   HE21  GLN  60          1HE2      GLN  60   3.290 -11.396  -4.883
  400   HE22  GLN  60          2HE2      GLN  60   1.964 -12.197  -5.577
  401    H    SER  61           H        SER  61   3.139  -5.619  -1.796
  402    HA   SER  61           HA       SER  61   0.462  -5.376  -0.520
  403    HB2  SER  61           2HB      SER  61   2.382  -6.337   0.782
  404    HB3  SER  61           1HB      SER  61   3.195  -4.781   0.650
  405    HG   SER  61           HG       SER  61   1.632  -5.403   2.533
  406    H    ALA  62           H        ALA  62  -0.591  -3.466  -0.719
  407    HA   ALA  62           HA       ALA  62   0.571  -1.158  -1.950
  408    HB1  ALA  62           1HB      ALA  62  -1.728  -1.098  -2.122
  409    HB2  ALA  62           2HB      ALA  62  -1.521  -0.062  -0.711
  410    HB3  ALA  62           3HB      ALA  62  -1.971  -1.754  -0.503
  411    H    ASP  63           H        ASP  63  -0.024  -2.002   1.457
  412    HA   ASP  63           HA       ASP  63   1.106   0.528   2.395
  413    HB2  ASP  63           2HB      ASP  63   0.736  -1.945   4.084
  414    HB3  ASP  63           1HB      ASP  63   0.646  -0.252   4.575
  415    H    CYS  64           H        CYS  64   3.030   0.380   3.984
  416    HA   CYS  64           HA       CYS  64   5.074  -1.407   2.745
  417    HB2  CYS  64           2HB      CYS  64   5.255   1.198   2.740
  418    HB3  CYS  64           1HB      CYS  64   5.741   1.002   4.411
  419    HA   PRO  65           HA       PRO  65   5.149  -3.517   6.590
  420    HB2  PRO  65           2HB      PRO  65   7.204  -5.183   5.875
  421    HB3  PRO  65           1HB      PRO  65   5.534  -5.436   5.371
  422    HG2  PRO  65           2HG      PRO  65   7.863  -4.454   3.800
  423    HG3  PRO  65           1HG      PRO  65   6.401  -5.285   3.241
  424    HD2  PRO  65           2HD      PRO  65   6.896  -2.523   3.032
  425    HD3  PRO  65           1HD      PRO  65   5.320  -3.314   2.834
  426    H    ARG  66           H        ARG  66   6.354  -3.235   8.481
  427    HA   ARG  66           HA       ARG  66   8.841  -1.617   8.221
  428    HB2  ARG  66           2HB      ARG  66   8.500  -1.197  10.678
  429    HB3  ARG  66           1HB      ARG  66   7.173  -0.616   9.669
  430    HG2  ARG  66           2HG      ARG  66   6.856  -3.410  10.521
  431    HG3  ARG  66           1HG      ARG  66   6.887  -2.266  11.862
  432    HD2  ARG  66           2HD      ARG  66   5.003  -1.108  11.092
  433    HD3  ARG  66           1HD      ARG  66   5.202  -1.691   9.439
  434    HE   ARG  66           HE       ARG  66   4.655  -4.014  10.653
  435   HH11  ARG  66          1HH1      ARG  66   2.473  -2.286   9.381
  436   HH12  ARG  66          2HH1      ARG  66   1.301  -2.246  10.656
  437   HH21  ARG  66          1HH2      ARG  66   3.512  -3.364  13.081
  438   HH22  ARG  66          2HH2      ARG  66   1.890  -2.856  12.751
  439    H    ASN  67           H        ASN  67  10.714  -2.208   9.464
  440    HA   ASN  67           HA       ASN  67  11.295  -5.020   9.478
  441    HB2  ASN  67           2HB      ASN  67  13.420  -4.375  10.450
  442    HB3  ASN  67           1HB      ASN  67  12.980  -3.141   9.273
  443   HD21  ASN  67          1HD2      ASN  67  14.142  -3.485  12.379
  444   HD22  ASN  67          2HD2      ASN  67  13.623  -2.010  13.035
  445    HA   PRO  68           HA       PRO  68   9.902  -6.165  13.487
  446    HB2  PRO  68           2HB      PRO  68  11.810  -8.035  14.165
  447    HB3  PRO  68           1HB      PRO  68  10.525  -8.323  12.978
  448    HG2  PRO  68           2HG      PRO  68  13.426  -7.868  12.535
  449    HG3  PRO  68           1HG      PRO  68  12.244  -8.666  11.486
  450    HD2  PRO  68           2HD      PRO  68  13.259  -6.021  11.199
  451    HD3  PRO  68           1HD      PRO  68  11.930  -6.752  10.282
  452    H    TRP  69           H        TRP  69  12.115  -3.946  13.301
  453    HA   TRP  69           HA       TRP  69  12.818  -4.075  16.193
  454    HB2  TRP  69           2HB      TRP  69  14.752  -3.002  14.147
  455    HB3  TRP  69           1HB      TRP  69  15.073  -3.523  15.801
  456    HD1  TRP  69           HD       TRP  69  13.904  -6.280  16.013
  457    HE1  TRP  69           1HE      TRP  69  14.708  -8.258  14.581
  458    HE3  TRP  69           3HE      TRP  69  16.020  -3.743  12.126
  459    HZ2  TRP  69           2HZ      TRP  69  16.061  -8.713  12.112
  460    HZ3  TRP  69           3HZ      TRP  69  17.057  -4.979  10.240
  461    HH2  TRP  69           HH       TRP  69  17.072  -7.460  10.233
  462    H    ASN  70           H        ASN  70  11.445  -2.301  13.667
  463    HA   ASN  70           HA       ASN  70  12.118   0.335  14.797
  464    HB2  ASN  70           2HB      ASN  70  11.936   0.215  12.388
  465    HB3  ASN  70           1HB      ASN  70  10.327  -0.499  12.502
  466   HD21  ASN  70          1HD2      ASN  70   9.393   1.341  11.311
  467   HD22  ASN  70          2HD2      ASN  70   9.196   2.850  12.062
  468    H    GLY  71           H        GLY  71   8.879  -0.305  13.692
  469    HA2  GLY  71           2HA      GLY  71   7.366  -1.022  15.815
  470    HA3  GLY  71           1HA      GLY  71   7.839   0.609  16.293
  Start of MODEL    6
    1    H    GLY   1           1HT      GLY   1 -17.330  -7.125   7.823
    2    HA2  GLY   1           1HA      GLY   1 -18.461  -5.301   5.902
    3    HA3  GLY   1           2HA      GLY   1 -17.168  -5.042   7.073
    4    H    LYS   2           H        LYS   2 -17.444  -7.431   4.432
    5    HA   LYS   2           HA       LYS   2 -14.757  -6.567   3.508
    6    HB2  LYS   2           2HB      LYS   2 -16.445  -9.025   3.037
    7    HB3  LYS   2           1HB      LYS   2 -15.039  -8.672   2.031
    8    HG2  LYS   2           2HG      LYS   2 -14.599  -8.440   4.950
    9    HG3  LYS   2           1HG      LYS   2 -14.904 -10.074   4.360
   10    HD2  LYS   2           2HD      LYS   2 -12.827 -10.197   3.508
   11    HD3  LYS   2           1HD      LYS   2 -13.096  -8.730   2.564
   12    HE2  LYS   2           2HE      LYS   2 -12.153  -7.358   4.167
   13    HE3  LYS   2           1HE      LYS   2 -12.590  -8.434   5.494
   14    HZ1  LYS   2           3HZ      LYS   2 -10.915  -9.991   4.160
   15    HZ2  LYS   2           1HZ      LYS   2 -10.410  -8.933   5.385
   16    HZ3  LYS   2           2HZ      LYS   2 -10.258  -8.477   3.756
   17    H    GLU   3           H        GLU   3 -16.160  -4.556   2.768
   18    HA   GLU   3           HA       GLU   3 -16.718  -4.993  -0.116
   19    HB2  GLU   3           2HB      GLU   3 -18.771  -4.681   1.777
   20    HB3  GLU   3           1HB      GLU   3 -18.610  -3.101   1.008
   21    HG2  GLU   3           2HG      GLU   3 -18.575  -4.406  -1.223
   22    HG3  GLU   3           1HG      GLU   3 -19.204  -5.762  -0.285
   23    H    CYS   4           H        CYS   4 -14.775  -3.525   1.884
   24    HA   CYS   4           HA       CYS   4 -14.817  -0.963   0.345
   25    HB2  CYS   4           2HB      CYS   4 -14.729  -1.414   3.276
   26    HB3  CYS   4           1HB      CYS   4 -13.612  -0.201   2.653
   27    H    ASP   5           H        ASP   5 -13.065  -1.173  -0.994
   28    HA   ASP   5           HA       ASP   5 -10.609  -2.480   0.044
   29    HB2  ASP   5           2HB      ASP   5 -11.817  -2.104  -2.582
   30    HB3  ASP   5           1HB      ASP   5 -10.124  -1.611  -2.575
   31    H    CYS   6           H        CYS   6 -11.962   0.614  -0.371
   32    HA   CYS   6           HA       CYS   6  -9.293   1.845   0.145
   33    HB2  CYS   6           2HB      CYS   6  -9.774   3.672  -1.355
   34    HB3  CYS   6           1HB      CYS   6 -10.031   2.178  -2.256
   35    H    SER   7           H        SER   7  -9.353   3.417   1.755
   36    HA   SER   7           HA       SER   7 -11.921   3.690   3.193
   37    HB2  SER   7           2HB      SER   7  -9.871   3.193   4.476
   38    HB3  SER   7           1HB      SER   7  -9.144   4.689   3.896
   39    HG   SER   7           HG       SER   7 -10.106   4.953   5.949
   40    H    SER   8           H        SER   8 -10.625   5.266   0.642
   41    HA   SER   8           HA       SER   8 -11.513   7.949   1.613
   42    HB2  SER   8           2HB      SER   8  -9.138   7.616   0.685
   43    HB3  SER   8           1HB      SER   8  -9.906   7.420  -0.889
   44    HG   SER   8           HG       SER   8 -11.037   9.508  -0.044
   45    HA   PRO   9           HA       PRO   9 -14.934   7.045  -1.159
   46    HB2  PRO   9           2HB      PRO   9 -16.475   9.153  -0.296
   47    HB3  PRO   9           1HB      PRO   9 -16.376   7.600   0.552
   48    HG2  PRO   9           2HG      PRO   9 -15.135  10.217   1.272
   49    HG3  PRO   9           1HG      PRO   9 -15.615   8.875   2.325
   50    HD2  PRO   9           2HD      PRO   9 -12.977   9.452   1.501
   51    HD3  PRO   9           1HD      PRO   9 -13.526   7.930   2.234
   52    H    GLU  10           H        GLU  10 -13.017   9.922  -0.838
   53    HA   GLU  10           HA       GLU  10 -14.165  11.157  -3.271
   54    HB2  GLU  10           2HB      GLU  10 -13.523  12.602  -1.353
   55    HB3  GLU  10           1HB      GLU  10 -11.856  12.049  -1.512
   56    HG2  GLU  10           2HG      GLU  10 -11.483  13.278  -3.417
   57    HG3  GLU  10           1HG      GLU  10 -13.150  13.117  -3.971
   58    H    ASN  11           H        ASN  11 -12.575   8.552  -3.106
   59    HA   ASN  11           HA       ASN  11 -10.304   9.272  -4.894
   60    HB2  ASN  11           2HB      ASN  11 -10.128   7.797  -2.717
   61    HB3  ASN  11           1HB      ASN  11 -10.759   6.527  -3.762
   62   HD21  ASN  11          1HD2      ASN  11  -8.309   5.885  -2.995
   63   HD22  ASN  11          2HD2      ASN  11  -7.122   6.255  -4.148
   64    HA   PRO  12           HA       PRO  12 -12.991   7.622  -8.082
   65    HB2  PRO  12           2HB      PRO  12 -11.307   8.254 -10.163
   66    HB3  PRO  12           1HB      PRO  12 -12.391   9.423  -9.390
   67    HG2  PRO  12           2HG      PRO  12  -9.432   9.140  -9.118
   68    HG3  PRO  12           1HG      PRO  12 -10.445  10.582  -8.925
   69    HD2  PRO  12           2HD      PRO  12  -9.367   9.031  -6.823
   70    HD3  PRO  12           1HD      PRO  12 -10.656  10.243  -6.666
   71    H    CYS  13           H        CYS  13 -10.116   6.437  -6.894
   72    HA   CYS  13           HA       CYS  13  -9.488   4.499  -8.967
   73    HB2  CYS  13           2HB      CYS  13  -8.401   5.373  -6.403
   74    HB3  CYS  13           1HB      CYS  13  -8.340   3.620  -6.584
   75    H    CYS  14           H        CYS  14 -11.622   4.632  -6.213
   76    HA   CYS  14           HA       CYS  14 -12.295   1.758  -6.698
   77    HB2  CYS  14           2HB      CYS  14 -12.934   1.701  -4.239
   78    HB3  CYS  14           1HB      CYS  14 -11.205   1.826  -4.563
   79    H    ASP  15           H        ASP  15 -14.443   1.358  -7.032
   80    HA   ASP  15           HA       ASP  15 -16.287   3.371  -7.668
   81    HB2  ASP  15           2HB      ASP  15 -16.401   0.781  -8.012
   82    HB3  ASP  15           1HB      ASP  15 -17.200   0.778  -6.440
   83    H    ALA  16           H        ALA  16 -17.342   4.830  -6.415
   84    HA   ALA  16           HA       ALA  16 -17.080   4.805  -3.536
   85    HB1  ALA  16           1HB      ALA  16 -18.077   6.895  -3.599
   86    HB2  ALA  16           2HB      ALA  16 -19.198   6.436  -4.881
   87    HB3  ALA  16           3HB      ALA  16 -17.514   6.788  -5.266
   88    H    ALA  17           H        ALA  17 -19.504   3.680  -5.805
   89    HA   ALA  17           HA       ALA  17 -21.656   3.387  -3.907
   90    HB1  ALA  17           1HB      ALA  17 -21.234   2.886  -6.682
   91    HB2  ALA  17           2HB      ALA  17 -22.760   2.866  -5.799
   92    HB3  ALA  17           3HB      ALA  17 -21.812   1.387  -5.956
   93    H    THR  18           H        THR  18 -19.210   1.104  -5.162
   94    HA   THR  18           HA       THR  18 -20.059  -0.877  -3.125
   95    HB   THR  18           HB       THR  18 -18.777  -2.470  -4.331
   96    HG1  THR  18           1HG      THR  18 -17.323  -1.700  -5.999
   97   HG21  THR  18          3HG2      THR  18 -20.184  -2.459  -6.083
   98   HG22  THR  18          1HG2      THR  18 -19.329  -1.096  -6.806
   99   HG23  THR  18          2HG2      THR  18 -20.636  -0.808  -5.656
  100    H    CYS  19           H        CYS  19 -17.843   1.658  -3.451
  101    HA   CYS  19           HA       CYS  19 -16.071   2.355  -2.078
  102    HB2  CYS  19           2HB      CYS  19 -17.649   1.806  -0.263
  103    HB3  CYS  19           1HB      CYS  19 -17.130   0.124  -0.311
  104    H    LYS  20           H        LYS  20 -15.732   0.150  -4.112
  105    HA   LYS  20           HA       LYS  20 -13.194  -0.924  -2.961
  106    HB2  LYS  20           2HB      LYS  20 -15.331  -2.453  -4.451
  107    HB3  LYS  20           1HB      LYS  20 -13.680  -3.052  -4.283
  108    HG2  LYS  20           2HG      LYS  20 -14.437  -2.233  -1.703
  109    HG3  LYS  20           1HG      LYS  20 -15.839  -3.083  -2.351
  110    HD2  LYS  20           2HD      LYS  20 -13.080  -4.256  -2.643
  111    HD3  LYS  20           1HD      LYS  20 -13.992  -4.476  -1.149
  112    HE2  LYS  20           2HE      LYS  20 -15.434  -5.942  -2.106
  113    HE3  LYS  20           1HE      LYS  20 -15.568  -4.983  -3.579
  114    HZ1  LYS  20           3HZ      LYS  20 -13.717  -7.134  -2.921
  115    HZ2  LYS  20           1HZ      LYS  20 -13.090  -5.847  -3.831
  116    HZ3  LYS  20           2HZ      LYS  20 -14.424  -6.725  -4.411
  117    H    LEU  21           H        LEU  21 -11.929  -2.020  -4.942
  118    HA   LEU  21           HA       LEU  21 -11.231   0.092  -6.721
  119    HB2  LEU  21           2HB      LEU  21 -10.644  -2.848  -6.592
  120    HB3  LEU  21           1HB      LEU  21 -10.206  -1.957  -8.049
  121    HG   LEU  21           HG       LEU  21  -9.441  -0.481  -5.670
  122   HD11  LEU  21          1HD1      LEU  21  -9.316  -3.114  -5.111
  123   HD12  LEU  21          2HD1      LEU  21  -8.114  -1.962  -4.525
  124   HD13  LEU  21          3HD1      LEU  21  -7.781  -2.931  -5.960
  125   HD21  LEU  21          3HD2      LEU  21  -7.981   0.190  -7.248
  126   HD22  LEU  21          1HD2      LEU  21  -8.507  -1.110  -8.317
  127   HD23  LEU  21          2HD2      LEU  21  -7.205  -1.391  -7.162
  128    H    ARG  22           H        ARG  22 -12.505   0.880  -8.321
  129    HA   ARG  22           HA       ARG  22 -14.567  -0.836  -9.535
  130    HB2  ARG  22           2HB      ARG  22 -14.883   1.629  -8.848
  131    HB3  ARG  22           1HB      ARG  22 -13.983   2.019 -10.311
  132    HG2  ARG  22           2HG      ARG  22 -15.653   0.436 -11.507
  133    HG3  ARG  22           1HG      ARG  22 -16.643   0.635 -10.060
  134    HD2  ARG  22           2HD      ARG  22 -16.314   3.164 -10.387
  135    HD3  ARG  22           1HD      ARG  22 -15.727   2.759 -12.001
  136    HE   ARG  22           HE       ARG  22 -18.424   1.826 -11.131
  137   HH11  ARG  22          1HH1      ARG  22 -16.566   2.077 -13.811
  138   HH12  ARG  22          2HH1      ARG  22 -17.647   3.062 -14.738
  139   HH21  ARG  22          1HH2      ARG  22 -19.732   3.755 -12.054
  140   HH22  ARG  22          2HH2      ARG  22 -19.442   4.013 -13.741
  141    HA   PRO  23           HA       PRO  23 -11.898   0.126 -13.372
  142    HB2  PRO  23           2HB      PRO  23  -9.401   1.199 -12.960
  143    HB3  PRO  23           1HB      PRO  23 -10.857   2.177 -13.217
  144    HG2  PRO  23           2HG      PRO  23  -9.343   1.698 -10.701
  145    HG3  PRO  23           1HG      PRO  23 -10.393   3.056 -11.137
  146    HD2  PRO  23           2HD      PRO  23 -11.071   0.864  -9.458
  147    HD3  PRO  23           1HD      PRO  23 -12.186   2.092 -10.090
  148    H    GLY  24           H        GLY  24  -9.183  -0.442 -13.885
  149    HA2  GLY  24           2HA      GLY  24  -9.016  -3.201 -12.816
  150    HA3  GLY  24           1HA      GLY  24  -8.121  -2.578 -14.202
  151    H    ALA  25           H        ALA  25  -8.221  -0.589 -11.371
  152    HA   ALA  25           HA       ALA  25  -5.339  -0.708 -11.099
  153    HB1  ALA  25           1HB      ALA  25  -6.561   1.358 -10.562
  154    HB2  ALA  25           2HB      ALA  25  -5.703   0.773  -9.138
  155    HB3  ALA  25           3HB      ALA  25  -7.442   0.525  -9.280
  156    H    GLN  26           H        GLN  26  -4.124  -1.705  -9.426
  157    HA   GLN  26           HA       GLN  26  -5.356  -4.089  -8.278
  158    HB2  GLN  26           2HB      GLN  26  -2.641  -2.977  -8.558
  159    HB3  GLN  26           1HB      GLN  26  -2.903  -3.856  -7.052
  160    HG2  GLN  26           2HG      GLN  26  -2.879  -5.835  -8.123
  161    HG3  GLN  26           1HG      GLN  26  -4.090  -5.279  -9.278
  162   HE21  GLN  26          1HE2      GLN  26  -3.233  -3.945 -11.160
  163   HE22  GLN  26          2HE2      GLN  26  -1.657  -4.248 -11.714
  164    H    CYS  27           H        CYS  27  -4.497  -0.877  -7.156
  165    HA   CYS  27           HA       CYS  27  -6.003  -1.386  -4.677
  166    HB2  CYS  27           2HB      CYS  27  -4.153  -1.777  -3.437
  167    HB3  CYS  27           1HB      CYS  27  -3.099  -1.398  -4.791
  168    H    GLY  28           H        GLY  28  -6.762   0.579  -3.732
  169    HA2  GLY  28           2HA      GLY  28  -6.701   2.873  -5.590
  170    HA3  GLY  28           1HA      GLY  28  -7.782   2.694  -4.212
  171    H    GLU  29           H        GLU  29  -5.608   1.923  -2.413
  172    HA   GLU  29           HA       GLU  29  -3.875   4.312  -2.370
  173    HB2  GLU  29           2HB      GLU  29  -4.607   5.007  -0.198
  174    HB3  GLU  29           1HB      GLU  29  -6.043   4.857  -1.197
  175    HG2  GLU  29           2HG      GLU  29  -6.856   3.543   0.454
  176    HG3  GLU  29           1HG      GLU  29  -5.763   2.311  -0.178
  177    H    GLY  30           H        GLY  30  -1.985   3.981  -1.081
  178    HA2  GLY  30           2HA      GLY  30  -1.444   2.102   0.854
  179    HA3  GLY  30           1HA      GLY  30  -1.323   1.169  -0.637
  180    H    LEU  31           H        LEU  31   0.911   1.537   1.010
  181    HA   LEU  31           HA       LEU  31   2.545   3.771   0.206
  182    HB2  LEU  31           2HB      LEU  31   2.944   1.214   1.673
  183    HB3  LEU  31           1HB      LEU  31   4.380   1.932   0.946
  184    HG   LEU  31           HG       LEU  31   3.875   2.677   3.327
  185   HD11  LEU  31          1HD1      LEU  31   4.636   4.880   2.908
  186   HD12  LEU  31          2HD1      LEU  31   3.784   4.971   1.367
  187   HD13  LEU  31          3HD1      LEU  31   5.216   3.952   1.525
  188   HD21  LEU  31          3HD2      LEU  31   1.814   4.495   2.128
  189   HD22  LEU  31          1HD2      LEU  31   1.998   3.963   3.799
  190   HD23  LEU  31          2HD2      LEU  31   1.333   2.864   2.592
  191    H    CYS  32           H        CYS  32   2.006   0.544  -1.095
  192    HA   CYS  32           HA       CYS  32   4.031   1.099  -3.218
  193    HB2  CYS  32           2HB      CYS  32   2.703  -1.568  -2.956
  194    HB3  CYS  32           1HB      CYS  32   4.354  -1.183  -3.437
  195    H    CYS  33           H        CYS  33   1.613   2.498  -3.413
  196    HA   CYS  33           HA       CYS  33   0.300   1.059  -5.681
  197    HB2  CYS  33           2HB      CYS  33  -0.974   2.874  -3.613
  198    HB3  CYS  33           1HB      CYS  33  -1.795   2.285  -5.058
  199    H    GLU  34           H        GLU  34   1.327   2.096  -7.381
  200    HA   GLU  34           HA       GLU  34   1.200   5.084  -7.413
  201    HB2  GLU  34           2HB      GLU  34   3.031   3.150  -8.866
  202    HB3  GLU  34           1HB      GLU  34   2.961   4.878  -9.218
  203    HG2  GLU  34           2HG      GLU  34   3.408   5.254  -6.724
  204    HG3  GLU  34           1HG      GLU  34   3.816   3.539  -6.645
  205    H    GLN  35           H        GLN  35  -0.167   5.981  -8.926
  206    HA   GLN  35           HA       GLN  35  -1.694   6.085 -10.713
  207    HB2  GLN  35           2HB      GLN  35   0.514   5.226 -11.867
  208    HB3  GLN  35           1HB      GLN  35  -0.351   3.690 -11.949
  209    HG2  GLN  35           2HG      GLN  35  -1.881   4.476 -13.470
  210    HG3  GLN  35           1HG      GLN  35  -1.845   6.115 -12.819
  211   HE21  GLN  35          1HE2      GLN  35  -1.198   7.386 -14.592
  212   HE22  GLN  35          2HE2      GLN  35   0.184   7.086 -15.529
  213    H    CYS  36           H        CYS  36  -1.902   4.150  -8.363
  214    HA   CYS  36           HA       CYS  36  -3.559   2.676  -7.608
  215    HB2  CYS  36           2HB      CYS  36  -4.763   3.962  -9.789
  216    HB3  CYS  36           1HB      CYS  36  -4.997   2.247 -10.088
  217    H    LYS  37           H        LYS  37  -1.110   1.696  -8.497
  218    HA   LYS  37           HA       LYS  37  -1.927  -1.013  -9.389
  219    HB2  LYS  37           2HB      LYS  37  -0.621   0.855 -11.092
  220    HB3  LYS  37           1HB      LYS  37   0.580  -0.356 -10.637
  221    HG2  LYS  37           2HG      LYS  37  -0.350  -1.572 -12.323
  222    HG3  LYS  37           1HG      LYS  37  -1.596  -1.937 -11.128
  223    HD2  LYS  37           2HD      LYS  37  -3.015  -1.074 -12.685
  224    HD3  LYS  37           1HD      LYS  37  -2.461   0.482 -12.063
  225    HE2  LYS  37           2HE      LYS  37  -1.554   0.971 -14.060
  226    HE3  LYS  37           1HE      LYS  37  -0.532  -0.463 -13.952
  227    HZ1  LYS  37           3HZ      LYS  37  -2.502  -0.077 -15.766
  228    HZ2  LYS  37           1HZ      LYS  37  -3.269  -1.048 -14.605
  229    HZ3  LYS  37           2HZ      LYS  37  -1.837  -1.584 -15.347
  230    H    PHE  38           H        PHE  38  -0.107  -2.598  -8.963
  231    HA   PHE  38           HA       PHE  38   1.083  -2.005  -6.364
  232    HB2  PHE  38           2HB      PHE  38   1.162  -4.394  -8.206
  233    HB3  PHE  38           1HB      PHE  38   2.143  -4.323  -6.747
  234    HD1  PHE  38           2HD      PHE  38   0.287  -2.829  -4.931
  235    HD2  PHE  38           1HD      PHE  38  -0.448  -6.049  -7.679
  236    HE1  PHE  38           2HE      PHE  38  -1.662  -3.538  -3.581
  237    HE2  PHE  38           1HE      PHE  38  -2.398  -6.758  -6.322
  238    HZ   PHE  38           HZ       PHE  38  -3.007  -5.501  -4.273
  239    H    SER  39           H        SER  39   2.928  -0.813  -6.229
  240    HA   SER  39           HA       SER  39   4.697  -0.304  -8.411
  241    HB2  SER  39           2HB      SER  39   5.229  -0.205  -5.423
  242    HB3  SER  39           1HB      SER  39   6.287   0.477  -6.653
  243    HG   SER  39           HG       SER  39   4.740   1.946  -7.167
  244    H    ARG  40           H        ARG  40   7.254  -0.937  -7.722
  245    HA   ARG  40           HA       ARG  40   7.198  -3.906  -7.889
  246    HB2  ARG  40           2HB      ARG  40   9.667  -3.558  -8.501
  247    HB3  ARG  40           1HB      ARG  40   8.487  -2.942  -9.659
  248    HG2  ARG  40           2HG      ARG  40   8.819  -0.705  -8.992
  249    HG3  ARG  40           1HG      ARG  40   9.572  -1.177  -7.469
  250    HD2  ARG  40           2HD      ARG  40  11.574  -0.967  -8.480
  251    HD3  ARG  40           1HD      ARG  40  11.151  -2.361  -9.474
  252    HE   ARG  40           HE       ARG  40  10.536  -0.866 -11.250
  253   HH11  ARG  40          1HH1      ARG  40   9.552   1.179  -9.047
  254   HH12  ARG  40          2HH1      ARG  40  10.555   2.529  -9.459
  255   HH21  ARG  40          1HH2      ARG  40  12.667   0.676 -11.492
  256   HH22  ARG  40          2HH2      ARG  40  12.321   2.244 -10.843
  257    H    ALA  41           H        ALA  41   8.997  -5.046  -6.645
  258    HA   ALA  41           HA       ALA  41   8.867  -4.277  -3.863
  259    HB1  ALA  41           1HB      ALA  41  10.964  -6.183  -4.809
  260    HB2  ALA  41           2HB      ALA  41   9.279  -6.641  -5.056
  261    HB3  ALA  41           3HB      ALA  41   9.873  -6.311  -3.429
  262    H    GLY  42           H        GLY  42  10.953  -4.025  -2.549
  263    HA2  GLY  42           2HA      GLY  42  13.030  -2.949  -2.198
  264    HA3  GLY  42           1HA      GLY  42  13.259  -2.924  -3.944
  265    H    LYS  43           H        LYS  43  10.279  -1.674  -2.581
  266    HA   LYS  43           HA       LYS  43  11.171   1.030  -3.494
  267    HB2  LYS  43           2HB      LYS  43   9.150   1.114  -4.469
  268    HB3  LYS  43           1HB      LYS  43   8.714  -0.434  -3.761
  269    HG2  LYS  43           2HG      LYS  43   7.068   1.192  -3.050
  270    HG3  LYS  43           1HG      LYS  43   8.068   0.814  -1.652
  271    HD2  LYS  43           2HD      LYS  43   8.498   3.015  -1.452
  272    HD3  LYS  43           1HD      LYS  43   9.388   2.923  -2.973
  273    HE2  LYS  43           2HE      LYS  43   7.652   3.797  -4.201
  274    HE3  LYS  43           1HE      LYS  43   6.420   3.086  -3.159
  275    HZ1  LYS  43           3HZ      LYS  43   6.330   4.921  -1.935
  276    HZ2  LYS  43           1HZ      LYS  43   7.253   5.687  -3.135
  277    HZ3  LYS  43           2HZ      LYS  43   8.020   5.006  -1.781
  278    H    ILE  44           H        ILE  44  11.727   2.505  -1.999
  279    HA   ILE  44           HA       ILE  44  11.626   2.028   0.804
  280    HB   ILE  44           HB       ILE  44  13.205   3.631  -0.052
  281   HG12  ILE  44          2HG1      ILE  44  12.547   5.702   1.262
  282   HG13  ILE  44          1HG1      ILE  44  10.990   4.929   1.561
  283   HG21  ILE  44          1HG2      ILE  44  11.915   5.894  -0.834
  284   HG22  ILE  44          2HG2      ILE  44  10.787   4.667  -1.410
  285   HG23  ILE  44          3HG2      ILE  44  12.464   4.647  -1.955
  286   HD11  ILE  44          3HD1      ILE  44  12.687   2.914   2.248
  287   HD12  ILE  44          1HD1      ILE  44  12.046   4.088   3.397
  288   HD13  ILE  44          2HD1      ILE  44  13.651   4.319   2.703
  289    H    CYS  45           H        CYS  45   9.434   1.408   1.268
  290    HA   CYS  45           HA       CYS  45   7.188   3.154   0.718
  291    HB2  CYS  45           2HB      CYS  45   6.040   1.684   2.429
  292    HB3  CYS  45           1HB      CYS  45   6.768   0.808   1.084
  293    H    ARG  46           H        ARG  46   9.315   2.612   3.480
  294    HA   ARG  46           HA       ARG  46   8.723   5.280   4.522
  295    HB2  ARG  46           2HB      ARG  46   7.342   2.924   5.545
  296    HB3  ARG  46           1HB      ARG  46   8.282   3.726   6.804
  297    HG2  ARG  46           2HG      ARG  46   7.172   5.888   5.600
  298    HG3  ARG  46           1HG      ARG  46   5.905   4.693   5.317
  299    HD2  ARG  46           2HD      ARG  46   6.609   4.224   7.952
  300    HD3  ARG  46           1HD      ARG  46   6.727   5.979   7.822
  301    HE   ARG  46           HE       ARG  46   4.260   4.382   7.510
  302   HH11  ARG  46          1HH2      ARG  46   4.659   6.661   5.451
  303   HH12  ARG  46          2HH2      ARG  46   3.778   7.934   6.227
  304   HH21  ARG  46          1HH1      ARG  46   3.658   6.341   9.302
  305   HH22  ARG  46          2HH1      ARG  46   3.213   7.753   8.403
  306    H    ILE  47           H        ILE  47   9.986   5.544   6.696
  307    HA   ILE  47           HA       ILE  47  12.621   4.224   6.315
  308    HB   ILE  47           HB       ILE  47  12.331   6.774   6.501
  309   HG12  ILE  47          2HG1      ILE  47  14.191   6.088   8.666
  310   HG13  ILE  47          1HG1      ILE  47  14.378   5.062   7.243
  311   HG21  ILE  47          1HG2      ILE  47  10.745   6.462   8.515
  312   HG22  ILE  47          2HG2      ILE  47  11.964   7.731   8.637
  313   HG23  ILE  47          3HG2      ILE  47  12.208   6.191   9.462
  314   HD11  ILE  47          3HD1      ILE  47  14.997   6.824   5.879
  315   HD12  ILE  47          1HD1      ILE  47  15.632   7.403   7.419
  316   HD13  ILE  47          2HD1      ILE  47  14.088   8.008   6.820
  317    H    ALA  48           H        ALA  48  13.766   3.436   8.272
  318    HA   ALA  48           HA       ALA  48  11.851   2.128  10.124
  319    HB1  ALA  48           1HB      ALA  48  13.837   0.964   8.864
  320    HB2  ALA  48           2HB      ALA  48  13.518   0.542  10.547
  321    HB3  ALA  48           3HB      ALA  48  14.822   1.662  10.150
  322    H    ARG  49           H        ARG  49  11.911   2.472  12.360
  323    HA   ARG  49           HA       ARG  49  13.347   4.926  13.210
  324    HB2  ARG  49           2HB      ARG  49  11.248   3.279  14.658
  325    HB3  ARG  49           1HB      ARG  49  11.876   4.845  15.178
  326    HG2  ARG  49           2HG      ARG  49  10.553   5.973  13.731
  327    HG3  ARG  49           1HG      ARG  49  10.926   4.868  12.407
  328    HD2  ARG  49           2HD      ARG  49   8.737   4.262  12.662
  329    HD3  ARG  49           1HD      ARG  49   9.389   3.252  13.952
  330    HE   ARG  49           HE       ARG  49   8.523   4.810  15.561
  331   HH11  ARG  49          1HH2      ARG  49   6.714   4.843  12.859
  332   HH12  ARG  49          2HH2      ARG  49   6.165   6.483  12.971
  333   HH21  ARG  49          1HH1      ARG  49   8.403   7.342  15.477
  334   HH22  ARG  49          2HH1      ARG  49   7.120   7.896  14.453
  335    H    GLY  50           H        GLY  50  15.330   4.616  14.090
  336    HA2  GLY  50           2HA      GLY  50  16.144   3.492  16.356
  337    HA3  GLY  50           1HA      GLY  50  15.934   2.024  15.404
  338    H    ASP  51           H        ASP  51  17.513   1.482  13.926
  339    HA   ASP  51           HA       ASP  51  19.359   3.288  12.719
  340    HB2  ASP  51           2HB      ASP  51  19.940   2.861  15.421
  341    HB3  ASP  51           1HB      ASP  51  21.041   1.783  14.562
  342    H    TRP  52           H        TRP  52  18.021   1.300  11.549
  343    HA   TRP  52           HA       TRP  52  20.091  -0.812  11.137
  344    HB2  TRP  52           2HB      TRP  52  17.694  -1.994  10.369
  345    HB3  TRP  52           1HB      TRP  52  18.574  -2.319  11.857
  346    HD1  TRP  52           HD       TRP  52  15.890   0.153  10.559
  347    HE1  TRP  52           1HE      TRP  52  14.312   0.717  12.516
  348    HE3  TRP  52           3HE      TRP  52  18.184  -2.435  14.315
  349    HZ2  TRP  52           2HZ      TRP  52  14.058   0.150  15.307
  350    HZ3  TRP  52           3HZ      TRP  52  17.255  -2.403  16.613
  351    HH2  TRP  52           HH       TRP  52  15.196  -1.117  17.112
  352    H    ASN  53           H        ASN  53  17.088  -0.593   9.365
  353    HA   ASN  53           HA       ASN  53  18.535   0.620   7.063
  354    HB2  ASN  53           2HB      ASN  53  16.811  -1.870   6.882
  355    HB3  ASN  53           1HB      ASN  53  17.648  -1.078   5.546
  356   HD21  ASN  53          1HD2      ASN  53  19.780  -1.745   5.146
  357   HD22  ASN  53          2HD2      ASN  53  20.700  -2.705   6.201
  358    H    ASP  54           H        ASP  54  16.430   0.397   5.214
  359    HA   ASP  54           HA       ASP  54  14.431   2.214   6.475
  360    HB2  ASP  54           2HB      ASP  54  14.889   1.717   3.521
  361    HB3  ASP  54           1HB      ASP  54  13.993   3.046   4.258
  362    H    ASP  55           H        ASP  55  12.590   1.717   4.163
  363    HA   ASP  55           HA       ASP  55  11.712  -1.061   4.808
  364    HB2  ASP  55           2HB      ASP  55   9.878   1.349   4.680
  365    HB3  ASP  55           1HB      ASP  55   9.403  -0.309   5.040
  366    H    ARG  56           H        ARG  56  11.688  -2.128   2.901
  367    HA   ARG  56           HA       ARG  56  11.186  -0.597   0.403
  368    HB2  ARG  56           2HB      ARG  56  12.298  -3.370   0.874
  369    HB3  ARG  56           1HB      ARG  56  12.049  -2.648  -0.713
  370    HG2  ARG  56           2HG      ARG  56  13.719  -1.325   1.432
  371    HG3  ARG  56           1HG      ARG  56  14.406  -2.424   0.236
  372    HD2  ARG  56           2HD      ARG  56  14.393  -0.820  -1.348
  373    HD3  ARG  56           1HD      ARG  56  12.697  -0.450  -1.035
  374    HE   ARG  56           HE       ARG  56  13.386   1.302   0.424
  375   HH11  ARG  56          1HH2      ARG  56  15.745  -0.795   1.179
  376   HH12  ARG  56          2HH2      ARG  56  17.083   0.290   1.005
  377   HH21  ARG  56          1HH1      ARG  56  15.224   2.760  -0.561
  378   HH22  ARG  56          2HH1      ARG  56  16.789   2.301   0.022
  379    H    CYS  57           H        CYS  57   9.413  -0.985  -0.874
  380    HA   CYS  57           HA       CYS  57   7.155  -2.405   0.229
  381    HB2  CYS  57           2HB      CYS  57   7.775  -1.000  -2.321
  382    HB3  CYS  57           1HB      CYS  57   6.482  -2.191  -2.371
  383    H    THR  58           H        THR  58   6.251  -4.392  -0.544
  384    HA   THR  58           HA       THR  58   8.192  -6.408  -1.261
  385    HB   THR  58           HB       THR  58   5.586  -7.393  -1.766
  386    HG1  THR  58           1HG      THR  58   4.657  -5.660  -0.793
  387   HG21  THR  58          3HG2      THR  58   6.194  -8.087   0.838
  388   HG22  THR  58          1HG2      THR  58   7.779  -7.719   0.155
  389   HG23  THR  58          2HG2      THR  58   6.755  -8.941  -0.601
  390    H    GLY  59           H        GLY  59   6.059  -4.330  -3.048
  391    HA2  GLY  59           2HA      GLY  59   6.322  -3.918  -5.407
  392    HA3  GLY  59           1HA      GLY  59   7.132  -5.477  -5.561
  393    H    GLN  60           H        GLN  60   4.772  -6.476  -3.744
  394    HA   GLN  60           HA       GLN  60   2.771  -6.678  -5.958
  395    HB2  GLN  60           2HB      GLN  60   4.053  -8.792  -4.281
  396    HB3  GLN  60           1HB      GLN  60   2.357  -9.005  -4.711
  397    HG2  GLN  60           2HG      GLN  60   3.717 -10.064  -6.419
  398    HG3  GLN  60           1HG      GLN  60   2.976  -8.620  -7.111
  399   HE21  GLN  60          1HE2      GLN  60   4.570  -7.894  -8.569
  400   HE22  GLN  60          2HE2      GLN  60   6.177  -7.565  -8.134
  401    H    SER  61           H        SER  61   3.373  -5.781  -2.752
  402    HA   SER  61           HA       SER  61   0.492  -6.121  -2.027
  403    HB2  SER  61           2HB      SER  61   2.785  -5.422  -0.178
  404    HB3  SER  61           1HB      SER  61   1.158  -5.920   0.280
  405    HG   SER  61           HG       SER  61   3.093  -7.507   0.115
  406    H    ALA  62           H        ALA  62  -0.762  -4.312  -1.933
  407    HA   ALA  62           HA       ALA  62   0.117  -1.775  -2.821
  408    HB1  ALA  62           1HB      ALA  62  -2.288  -2.819  -1.425
  409    HB2  ALA  62           2HB      ALA  62  -2.172  -1.821  -2.874
  410    HB3  ALA  62           3HB      ALA  62  -2.004  -1.084  -1.281
  411    H    ASP  63           H        ASP  63  -0.408  -2.926   0.522
  412    HA   ASP  63           HA       ASP  63   0.710  -0.468   1.641
  413    HB2  ASP  63           2HB      ASP  63   0.140  -3.120   3.005
  414    HB3  ASP  63           1HB      ASP  63   0.413  -1.569   3.800
  415    H    CYS  64           H        CYS  64   2.522  -0.995   3.456
  416    HA   CYS  64           HA       CYS  64   4.656  -2.509   2.009
  417    HB2  CYS  64           2HB      CYS  64   5.249  -0.186   2.086
  418    HB3  CYS  64           1HB      CYS  64   4.816  -0.068   3.789
  419    HA   PRO  65           HA       PRO  65   4.718  -5.156   5.486
  420    HB2  PRO  65           2HB      PRO  65   6.957  -6.523   4.705
  421    HB3  PRO  65           1HB      PRO  65   5.360  -6.808   4.014
  422    HG2  PRO  65           2HG      PRO  65   7.722  -5.442   2.834
  423    HG3  PRO  65           1HG      PRO  65   6.357  -6.226   2.020
  424    HD2  PRO  65           2HD      PRO  65   6.716  -3.439   2.376
  425    HD3  PRO  65           1HD      PRO  65   5.237  -4.253   1.823
  426    H    ARG  66           H        ARG  66   6.273  -5.735   7.266
  427    HA   ARG  66           HA       ARG  66   8.566  -3.852   7.532
  428    HB2  ARG  66           2HB      ARG  66   7.846  -3.476   9.935
  429    HB3  ARG  66           1HB      ARG  66   6.790  -2.740   8.726
  430    HG2  ARG  66           2HG      ARG  66   5.219  -4.590   8.899
  431    HG3  ARG  66           1HG      ARG  66   6.301  -5.449   9.997
  432    HD2  ARG  66           2HD      ARG  66   5.680  -2.711  10.866
  433    HD3  ARG  66           1HD      ARG  66   4.268  -3.764  10.787
  434    HE   ARG  66           HE       ARG  66   6.604  -4.906  12.165
  435   HH11  ARG  66          1HH1      ARG  66   3.791  -5.788  12.669
  436   HH12  ARG  66          2HH1      ARG  66   3.432  -5.024  14.181
  437   HH21  ARG  66          1HH2      ARG  66   6.077  -2.790  13.983
  438   HH22  ARG  66          2HH2      ARG  66   4.726  -3.326  14.924
  439    H    ASN  67           H        ASN  67  10.324  -4.790   8.566
  440    HA   ASN  67           HA       ASN  67  10.397  -7.635   8.873
  441    HB2  ASN  67           2HB      ASN  67  12.554  -7.041  10.235
  442    HB3  ASN  67           1HB      ASN  67  12.508  -6.676   8.510
  443   HD21  ASN  67          1HD2      ASN  67  14.177  -4.967   9.104
  444   HD22  ASN  67          2HD2      ASN  67  13.626  -3.474   9.695
  445    HA   PRO  68           HA       PRO  68   8.935  -8.171  12.976
  446    HB2  PRO  68           2HB      PRO  68  10.465 -10.305  13.776
  447    HB3  PRO  68           1HB      PRO  68   9.136 -10.434  12.611
  448    HG2  PRO  68           2HG      PRO  68  12.072 -10.522  12.119
  449    HG3  PRO  68           1HG      PRO  68  10.754 -11.223  11.165
  450    HD2  PRO  68           2HD      PRO  68  12.163  -8.830  10.574
  451    HD3  PRO  68           1HD      PRO  68  10.669  -9.391   9.794
  452    H    TRP  69           H        TRP  69  11.280  -6.246  12.697
  453    HA   TRP  69           HA       TRP  69  12.251  -6.508  15.505
  454    HB2  TRP  69           2HB      TRP  69  14.010  -5.434  13.301
  455    HB3  TRP  69           1HB      TRP  69  14.480  -6.019  14.898
  456    HD1  TRP  69           HD       TRP  69  14.613  -7.077  11.477
  457    HE1  TRP  69           1HE      TRP  69  14.745  -9.642  11.256
  458    HE3  TRP  69           3HE      TRP  69  13.216  -8.438  16.195
  459    HZ2  TRP  69           2HZ      TRP  69  14.313 -11.964  12.869
  460    HZ3  TRP  69           3HZ      TRP  69  13.085 -10.833  16.827
  461    HH2  TRP  69           HH       TRP  69  13.631 -12.595  15.171
  462    H    ASN  70           H        ASN  70  10.066  -4.932  14.467
  463    HA   ASN  70           HA       ASN  70  11.195  -2.173  14.714
  464    HB2  ASN  70           2HB      ASN  70   9.515  -3.210  12.756
  465    HB3  ASN  70           1HB      ASN  70   8.409  -2.356  13.832
  466   HD21  ASN  70          1HD2      ASN  70  11.207  -1.935  11.685
  467   HD22  ASN  70          2HD2      ASN  70  11.115  -0.241  11.616
  468    H    GLY  71           H        GLY  71  10.437  -4.142  16.876
  469    HA2  GLY  71           2HA      GLY  71   9.411  -4.016  18.983
  470    HA3  GLY  71           1HA      GLY  71   9.196  -2.294  18.671
  Start of MODEL    7
    1    H    GLY   1           1HT      GLY   1 -11.278 -12.372   4.735
    2    HA2  GLY   1           1HA      GLY   1  -9.757 -10.851   3.178
    3    HA3  GLY   1           2HA      GLY   1 -11.486 -11.088   2.918
    4    H    LYS   2           H        LYS   2 -10.514  -8.765   1.969
    5    HA   LYS   2           HA       LYS   2 -11.422  -6.751   3.986
    6    HB2  LYS   2           2HB      LYS   2  -9.867  -5.155   2.713
    7    HB3  LYS   2           1HB      LYS   2  -9.085  -6.356   3.741
    8    HG2  LYS   2           2HG      LYS   2  -9.626  -6.920   0.828
    9    HG3  LYS   2           1HG      LYS   2  -8.172  -6.058   1.335
   10    HD2  LYS   2           2HD      LYS   2  -8.427  -8.288   3.064
   11    HD3  LYS   2           1HD      LYS   2  -8.706  -8.887   1.428
   12    HE2  LYS   2           2HE      LYS   2  -6.419  -8.977   1.386
   13    HE3  LYS   2           1HE      LYS   2  -6.587  -7.273   0.962
   14    HZ1  LYS   2           3HZ      LYS   2  -5.128  -7.217   2.725
   15    HZ2  LYS   2           1HZ      LYS   2  -5.897  -8.479   3.557
   16    HZ3  LYS   2           2HZ      LYS   2  -6.613  -6.939   3.502
   17    H    GLU   3           H        GLU   3 -13.413  -6.117   3.285
   18    HA   GLU   3           HA       GLU   3 -14.074  -6.145   0.424
   19    HB2  GLU   3           2HB      GLU   3 -15.554  -5.715   2.979
   20    HB3  GLU   3           1HB      GLU   3 -16.224  -4.980   1.522
   21    HG2  GLU   3           2HG      GLU   3 -17.142  -7.240   1.850
   22    HG3  GLU   3           1HG      GLU   3 -16.155  -7.178   0.388
   23    H    CYS   4           H        CYS   4 -12.203  -4.114   2.046
   24    HA   CYS   4           HA       CYS   4 -13.300  -1.724   0.630
   25    HB2  CYS   4           2HB      CYS   4 -12.458  -2.070   3.430
   26    HB3  CYS   4           1HB      CYS   4 -11.757  -0.659   2.637
   27    H    ASP   5           H        ASP   5 -11.957  -1.296  -1.055
   28    HA   ASP   5           HA       ASP   5  -9.106  -2.069  -0.874
   29    HB2  ASP   5           2HB      ASP   5 -10.721  -2.381  -2.933
   30    HB3  ASP   5           1HB      ASP   5 -10.310  -0.696  -3.258
   31    H    CYS   6           H        CYS   6 -10.943   0.603  -0.085
   32    HA   CYS   6           HA       CYS   6  -8.531   2.303  -0.052
   33    HB2  CYS   6           2HB      CYS   6  -9.561   4.157  -1.212
   34    HB3  CYS   6           1HB      CYS   6  -9.697   2.737  -2.247
   35    H    SER   7           H        SER   7  -9.162   4.471   1.121
   36    HA   SER   7           HA       SER   7 -11.115   3.772   3.279
   37    HB2  SER   7           2HB      SER   7  -8.582   3.921   3.823
   38    HB3  SER   7           1HB      SER   7  -8.794   5.660   3.644
   39    HG   SER   7           HG       SER   7  -9.152   4.522   5.807
   40    H    SER   8           H        SER   8 -10.704   5.783   0.671
   41    HA   SER   8           HA       SER   8 -12.263   7.959   2.006
   42    HB2  SER   8           2HB      SER   8  -9.982   8.029   0.150
   43    HB3  SER   8           1HB      SER   8 -11.310   9.092  -0.308
   44    HG   SER   8           HG       SER   8 -11.157   9.517   2.176
   45    HA   PRO   9           HA       PRO   9 -15.422   6.724  -0.862
   46    HB2  PRO   9           2HB      PRO   9 -17.206   8.703  -0.188
   47    HB3  PRO   9           1HB      PRO   9 -16.936   7.254   0.796
   48    HG2  PRO   9           2HG      PRO   9 -16.034  10.052   1.291
   49    HG3  PRO   9           1HG      PRO   9 -16.343   8.750   2.452
   50    HD2  PRO   9           2HD      PRO   9 -13.796   9.597   1.540
   51    HD3  PRO   9           1HD      PRO   9 -14.144   8.110   2.448
   52    H    GLU  10           H        GLU  10 -13.524   9.506  -1.012
   53    HA   GLU  10           HA       GLU  10 -14.975  10.660  -3.332
   54    HB2  GLU  10           2HB      GLU  10 -13.525  11.827  -1.276
   55    HB3  GLU  10           1HB      GLU  10 -12.393  11.861  -2.628
   56    HG2  GLU  10           2HG      GLU  10 -13.784  13.897  -2.602
   57    HG3  GLU  10           1HG      GLU  10 -14.112  12.932  -4.042
   58    H    ASN  11           H        ASN  11 -12.664   8.323  -2.733
   59    HA   ASN  11           HA       ASN  11 -10.960   8.866  -5.049
   60    HB2  ASN  11           2HB      ASN  11 -10.556   7.502  -2.742
   61    HB3  ASN  11           1HB      ASN  11 -10.987   6.170  -3.814
   62   HD21  ASN  11          1HD2      ASN  11  -8.471   5.853  -3.151
   63   HD22  ASN  11          2HD2      ASN  11  -7.373   6.470  -4.289
   64    HA   PRO  12           HA       PRO  12 -13.902   6.780  -7.697
   65    HB2  PRO  12           2HB      PRO  12 -12.511   7.245 -10.023
   66    HB3  PRO  12           1HB      PRO  12 -13.541   8.456  -9.242
   67    HG2  PRO  12           2HG      PRO  12 -10.565   8.296  -9.321
   68    HG3  PRO  12           1HG      PRO  12 -11.609   9.716  -9.133
   69    HD2  PRO  12           2HD      PRO  12 -10.209   8.400  -7.053
   70    HD3  PRO  12           1HD      PRO  12 -11.502   9.600  -6.845
   71    H    CYS  13           H        CYS  13 -10.425   6.200  -7.599
   72    HA   CYS  13           HA       CYS  13 -10.214   3.909  -9.213
   73    HB2  CYS  13           2HB      CYS  13  -8.434   5.250  -7.775
   74    HB3  CYS  13           1HB      CYS  13  -8.766   3.983  -6.591
   75    H    CYS  14           H        CYS  14 -11.685   4.298  -6.067
   76    HA   CYS  14           HA       CYS  14 -12.234   1.357  -6.054
   77    HB2  CYS  14           2HB      CYS  14 -12.245   1.413  -3.634
   78    HB3  CYS  14           1HB      CYS  14 -10.743   2.152  -4.187
   79    H    ASP  15           H        ASP  15 -14.345   0.886  -6.301
   80    HA   ASP  15           HA       ASP  15 -16.393   2.816  -6.595
   81    HB2  ASP  15           2HB      ASP  15 -16.288   0.205  -7.115
   82    HB3  ASP  15           1HB      ASP  15 -17.065   0.097  -5.537
   83    H    ALA  16           H        ALA  16 -17.605   3.922  -5.095
   84    HA   ALA  16           HA       ALA  16 -16.901   3.708  -2.281
   85    HB1  ALA  16           1HB      ALA  16 -19.081   5.271  -3.698
   86    HB2  ALA  16           2HB      ALA  16 -17.502   5.883  -3.200
   87    HB3  ALA  16           3HB      ALA  16 -18.697   5.429  -1.984
   88    H    ALA  17           H        ALA  17 -19.624   2.691  -4.295
   89    HA   ALA  17           HA       ALA  17 -21.389   1.896  -2.208
   90    HB1  ALA  17           1HB      ALA  17 -22.641   0.876  -3.876
   91    HB2  ALA  17           2HB      ALA  17 -21.214   0.292  -4.734
   92    HB3  ALA  17           3HB      ALA  17 -21.677   1.991  -4.845
   93    H    THR  18           H        THR  18 -18.805   0.109  -3.893
   94    HA   THR  18           HA       THR  18 -19.163  -2.134  -1.968
   95    HB   THR  18           HB       THR  18 -17.815  -3.445  -3.481
   96    HG1  THR  18           1HG      THR  18 -16.547  -2.553  -4.943
   97   HG21  THR  18          3HG2      THR  18 -20.111  -1.905  -4.435
   98   HG22  THR  18          1HG2      THR  18 -19.765  -3.625  -4.606
   99   HG23  THR  18          2HG2      THR  18 -19.079  -2.470  -5.750
  100    H    CYS  19           H        CYS  19 -17.242   0.621  -2.519
  101    HA   CYS  19           HA       CYS  19 -15.355   1.448  -1.398
  102    HB2  CYS  19           2HB      CYS  19 -16.569   0.649   0.622
  103    HB3  CYS  19           1HB      CYS  19 -15.823  -0.934   0.423
  104    H    LYS  20           H        LYS  20 -15.200  -0.726  -3.522
  105    HA   LYS  20           HA       LYS  20 -12.397  -1.543  -2.873
  106    HB2  LYS  20           2HB      LYS  20 -14.633  -3.240  -3.974
  107    HB3  LYS  20           1HB      LYS  20 -12.941  -3.659  -4.244
  108    HG2  LYS  20           2HG      LYS  20 -13.093  -3.044  -1.517
  109    HG3  LYS  20           1HG      LYS  20 -14.550  -3.984  -1.847
  110    HD2  LYS  20           2HD      LYS  20 -12.895  -5.608  -1.337
  111    HD3  LYS  20           1HD      LYS  20 -13.004  -5.619  -3.097
  112    HE2  LYS  20           2HE      LYS  20 -10.995  -4.411  -3.352
  113    HE3  LYS  20           1HE      LYS  20 -11.022  -3.841  -1.684
  114    HZ1  LYS  20           3HZ      LYS  20 -11.031  -6.582  -1.519
  115    HZ2  LYS  20           1HZ      LYS  20  -9.721  -5.552  -1.202
  116    HZ3  LYS  20           2HZ      LYS  20  -9.911  -6.230  -2.747
  117    H    LEU  21           H        LEU  21 -11.287  -2.323  -5.011
  118    HA   LEU  21           HA       LEU  21 -11.249  -0.132  -6.825
  119    HB2  LEU  21           2HB      LEU  21 -10.167  -2.941  -6.930
  120    HB3  LEU  21           1HB      LEU  21 -10.023  -1.874  -8.329
  121    HG   LEU  21           HG       LEU  21  -9.229  -0.818  -5.642
  122   HD11  LEU  21          1HD1      LEU  21  -8.162  -3.218  -6.622
  123   HD12  LEU  21          2HD1      LEU  21  -7.449  -2.180  -5.388
  124   HD13  LEU  21          3HD1      LEU  21  -6.986  -1.985  -7.079
  125   HD21  LEU  21          3HD2      LEU  21  -9.193   0.109  -8.271
  126   HD22  LEU  21          1HD2      LEU  21  -7.517  -0.349  -7.966
  127   HD23  LEU  21          2HD2      LEU  21  -8.319   0.818  -6.914
  128    H    ARG  22           H        ARG  22 -12.842   0.405  -8.218
  129    HA   ARG  22           HA       ARG  22 -14.870  -1.504  -9.057
  130    HB2  ARG  22           2HB      ARG  22 -14.714   1.263  -8.895
  131    HB3  ARG  22           1HB      ARG  22 -14.702   0.957 -10.632
  132    HG2  ARG  22           2HG      ARG  22 -16.637  -0.739  -9.269
  133    HG3  ARG  22           1HG      ARG  22 -16.952   0.970  -8.971
  134    HD2  ARG  22           2HD      ARG  22 -17.210   1.454 -11.257
  135    HD3  ARG  22           1HD      ARG  22 -16.362  -0.010 -11.756
  136    HE   ARG  22           HE       ARG  22 -18.444  -1.202 -10.702
  137   HH11  ARG  22          1HH1      ARG  22 -18.232   1.455 -12.832
  138   HH12  ARG  22          2HH1      ARG  22 -19.940   1.575 -13.093
  139   HH21  ARG  22          1HH2      ARG  22 -20.736  -0.877 -10.777
  140   HH22  ARG  22          2HH2      ARG  22 -21.357   0.254 -11.931
  141    HA   PRO  23           HA       PRO  23 -12.655  -1.061 -13.271
  142    HB2  PRO  23           2HB      PRO  23 -10.238   0.257 -13.292
  143    HB3  PRO  23           1HB      PRO  23 -11.796   1.053 -13.573
  144    HG2  PRO  23           2HG      PRO  23 -10.055   1.137 -11.155
  145    HG3  PRO  23           1HG      PRO  23 -11.233   2.327 -11.732
  146    HD2  PRO  23           2HD      PRO  23 -11.632   0.478  -9.633
  147    HD3  PRO  23           1HD      PRO  23 -12.898   1.437 -10.430
  148    H    GLY  24           H        GLY  24  -9.920  -1.480 -13.934
  149    HA2  GLY  24           2HA      GLY  24  -9.442  -4.011 -12.456
  150    HA3  GLY  24           1HA      GLY  24  -8.755  -3.597 -14.025
  151    H    ALA  25           H        ALA  25  -8.676  -1.133 -11.599
  152    HA   ALA  25           HA       ALA  25  -5.798  -1.004 -11.671
  153    HB1  ALA  25           1HB      ALA  25  -6.435   0.439  -9.453
  154    HB2  ALA  25           2HB      ALA  25  -7.993   0.427 -10.279
  155    HB3  ALA  25           3HB      ALA  25  -6.567   1.071 -11.094
  156    H    GLN  26           H        GLN  26  -4.282  -1.759 -10.145
  157    HA   GLN  26           HA       GLN  26  -5.138  -4.029  -8.539
  158    HB2  GLN  26           2HB      GLN  26  -2.700  -3.078  -9.631
  159    HB3  GLN  26           1HB      GLN  26  -2.477  -3.158  -7.883
  160    HG2  GLN  26           2HG      GLN  26  -2.675  -5.433  -7.827
  161    HG3  GLN  26           1HG      GLN  26  -3.890  -5.458  -9.104
  162   HE21  GLN  26          1HE2      GLN  26  -0.489  -4.240  -9.002
  163   HE22  GLN  26          2HE2      GLN  26   0.016  -5.115 -10.367
  164    H    CYS  27           H        CYS  27  -4.851  -0.653  -7.958
  165    HA   CYS  27           HA       CYS  27  -5.745  -0.959  -5.225
  166    HB2  CYS  27           2HB      CYS  27  -3.670   0.173  -4.242
  167    HB3  CYS  27           1HB      CYS  27  -3.498  -1.526  -4.686
  168    H    GLY  28           H        GLY  28  -6.593   0.979  -4.452
  169    HA2  GLY  28           2HA      GLY  28  -6.556   3.243  -6.367
  170    HA3  GLY  28           1HA      GLY  28  -7.684   3.055  -5.025
  171    H    GLU  29           H        GLU  29  -5.511   2.317  -3.185
  172    HA   GLU  29           HA       GLU  29  -3.842   4.747  -3.077
  173    HB2  GLU  29           2HB      GLU  29  -4.638   5.479  -0.976
  174    HB3  GLU  29           1HB      GLU  29  -6.098   5.127  -1.886
  175    HG2  GLU  29           2HG      GLU  29  -6.364   2.998  -0.789
  176    HG3  GLU  29           1HG      GLU  29  -4.784   3.138  -0.017
  177    H    GLY  30           H        GLY  30  -2.119   4.484  -1.363
  178    HA2  GLY  30           1HA      GLY  30  -1.646   2.289   0.249
  179    HA3  GLY  30           2HA      GLY  30  -1.198   1.719  -1.351
  180    H    LEU  31           H        LEU  31   0.713   1.929   0.708
  181    HA   LEU  31           HA       LEU  31   2.178   4.400   0.610
  182    HB2  LEU  31           2HB      LEU  31   2.607   1.674   1.642
  183    HB3  LEU  31           1HB      LEU  31   4.083   2.460   1.091
  184    HG   LEU  31           HG       LEU  31   3.733   2.984   3.446
  185   HD11  LEU  31          1HD1      LEU  31   4.485   5.072   3.066
  186   HD12  LEU  31          2HD1      LEU  31   2.889   5.595   2.527
  187   HD13  LEU  31          3HD1      LEU  31   4.018   4.878   1.377
  188   HD21  LEU  31          3HD2      LEU  31   1.607   3.059   4.195
  189   HD22  LEU  31          1HD2      LEU  31   0.980   3.201   2.552
  190   HD23  LEU  31          2HD2      LEU  31   1.464   4.647   3.440
  191    H    CYS  32           H        CYS  32   1.795   1.773  -1.586
  192    HA   CYS  32           HA       CYS  32   3.778   3.054  -3.380
  193    HB2  CYS  32           2HB      CYS  32   3.698   0.087  -2.804
  194    HB3  CYS  32           1HB      CYS  32   4.741   0.878  -3.989
  195    H    CYS  33           H        CYS  33   1.135   3.466  -3.786
  196    HA   CYS  33           HA       CYS  33   0.472   1.544  -5.983
  197    HB2  CYS  33           2HB      CYS  33  -1.209   1.635  -4.121
  198    HB3  CYS  33           1HB      CYS  33  -1.470   3.337  -4.494
  199    H    GLU  34           H        GLU  34   1.455   2.569  -7.712
  200    HA   GLU  34           HA       GLU  34   0.893   5.461  -8.129
  201    HB2  GLU  34           2HB      GLU  34   3.020   3.567  -9.060
  202    HB3  GLU  34           1HB      GLU  34   2.614   4.943 -10.087
  203    HG2  GLU  34           2HG      GLU  34   2.814   6.322  -7.871
  204    HG3  GLU  34           1HG      GLU  34   3.742   4.934  -7.301
  205    H    GLN  35           H        GLN  35  -0.418   6.093  -9.808
  206    HA   GLN  35           HA       GLN  35  -1.926   5.872 -11.584
  207    HB2  GLN  35           2HB      GLN  35   0.277   3.981 -12.212
  208    HB3  GLN  35           1HB      GLN  35  -1.240   3.707 -13.069
  209    HG2  GLN  35           2HG      GLN  35   0.047   6.439 -12.906
  210    HG3  GLN  35           1HG      GLN  35   0.418   5.298 -14.199
  211   HE21  GLN  35          1HE2      GLN  35  -1.871   7.655 -13.122
  212   HE22  GLN  35          2HE2      GLN  35  -3.036   7.390 -14.328
  213    H    CYS  36           H        CYS  36  -2.342   4.537  -9.010
  214    HA   CYS  36           HA       CYS  36  -3.902   3.077  -8.057
  215    HB2  CYS  36           2HB      CYS  36  -4.855   3.331 -10.883
  216    HB3  CYS  36           1HB      CYS  36  -5.525   2.045  -9.886
  217    H    LYS  37           H        LYS  37  -1.305   2.196  -9.494
  218    HA   LYS  37           HA       LYS  37  -2.026  -0.704  -9.635
  219    HB2  LYS  37           2HB      LYS  37  -0.510   0.998 -11.460
  220    HB3  LYS  37           1HB      LYS  37   0.410  -0.420 -10.953
  221    HG2  LYS  37           2HG      LYS  37  -0.776  -1.251 -12.792
  222    HG3  LYS  37           1HG      LYS  37  -1.821  -1.709 -11.448
  223    HD2  LYS  37           2HD      LYS  37  -3.490  -0.537 -12.398
  224    HD3  LYS  37           1HD      LYS  37  -2.549   0.934 -12.158
  225    HE2  LYS  37           2HE      LYS  37  -1.705   0.911 -14.324
  226    HE3  LYS  37           1HE      LYS  37  -1.898  -0.833 -14.491
  227    HZ1  LYS  37           3HZ      LYS  37  -4.432   0.121 -14.081
  228    HZ2  LYS  37           1HZ      LYS  37  -3.775  -0.387 -15.560
  229    HZ3  LYS  37           2HZ      LYS  37  -3.726   1.256 -15.131
  230    H    PHE  38           H        PHE  38  -0.178  -2.147  -8.995
  231    HA   PHE  38           HA       PHE  38   0.959  -1.196  -6.478
  232    HB2  PHE  38           2HB      PHE  38   1.022  -3.806  -7.986
  233    HB3  PHE  38           1HB      PHE  38   1.999  -3.563  -6.537
  234    HD1  PHE  38           1HD      PHE  38   0.082  -1.773  -5.001
  235    HD2  PHE  38           2HD      PHE  38  -0.554  -5.402  -7.213
  236    HE1  PHE  38           1HE      PHE  38  -1.901  -2.277  -3.610
  237    HE2  PHE  38           2HE      PHE  38  -2.538  -5.904  -5.813
  238    HZ   PHE  38           HZ       PHE  38  -3.211  -4.341  -4.011
  239    H    SER  39           H        SER  39   2.943  -0.269  -6.275
  240    HA   SER  39           HA       SER  39   4.663   0.167  -8.526
  241    HB2  SER  39           2HB      SER  39   5.689   0.241  -5.693
  242    HB3  SER  39           1HB      SER  39   6.075   1.305  -7.043
  243    HG   SER  39           HG       SER  39   4.095   2.267  -6.840
  244    H    ARG  40           H        ARG  40   7.096  -0.655  -6.676
  245    HA   ARG  40           HA       ARG  40   7.015  -3.546  -7.431
  246    HB2  ARG  40           2HB      ARG  40   9.278  -3.441  -8.193
  247    HB3  ARG  40           1HB      ARG  40   8.461  -2.058  -8.924
  248    HG2  ARG  40           2HG      ARG  40   9.260  -0.751  -6.827
  249    HG3  ARG  40           1HG      ARG  40  10.386  -2.092  -6.606
  250    HD2  ARG  40           2HD      ARG  40  10.193  -0.872  -9.326
  251    HD3  ARG  40           1HD      ARG  40  11.043   0.034  -8.074
  252    HE   ARG  40           HE       ARG  40  11.814  -2.713  -8.970
  253   HH11  ARG  40          1HH1      ARG  40  12.409  -0.626  -6.459
  254   HH12  ARG  40          2HH1      ARG  40  14.113  -0.477  -6.729
  255   HH21  ARG  40          1HH2      ARG  40  14.043  -2.111  -9.787
  256   HH22  ARG  40          2HH2      ARG  40  15.038  -1.317  -8.612
  257    H    ALA  41           H        ALA  41   8.272  -4.944  -6.048
  258    HA   ALA  41           HA       ALA  41   8.201  -4.205  -3.264
  259    HB1  ALA  41           1HB      ALA  41   8.645  -6.422  -2.857
  260    HB2  ALA  41           2HB      ALA  41   9.886  -6.506  -4.107
  261    HB3  ALA  41           3HB      ALA  41   8.181  -6.586  -4.551
  262    H    GLY  42           H        GLY  42  10.238  -4.432  -1.860
  263    HA2  GLY  42           2HA      GLY  42  12.438  -3.718  -1.375
  264    HA3  GLY  42           1HA      GLY  42  12.807  -3.908  -3.092
  265    H    LYS  43           H        LYS  43  10.032  -2.060  -2.177
  266    HA   LYS  43           HA       LYS  43  11.405   0.386  -3.196
  267    HB2  LYS  43           2HB      LYS  43   9.518   0.202  -4.488
  268    HB3  LYS  43           1HB      LYS  43   8.623  -0.670  -3.249
  269    HG2  LYS  43           2HG      LYS  43   7.855   1.256  -2.258
  270    HG3  LYS  43           1HG      LYS  43   9.285   2.177  -2.691
  271    HD2  LYS  43           2HD      LYS  43   7.979   1.381  -5.106
  272    HD3  LYS  43           1HD      LYS  43   6.780   2.116  -4.041
  273    HE2  LYS  43           2HE      LYS  43   9.467   3.370  -4.664
  274    HE3  LYS  43           1HE      LYS  43   7.979   3.766  -5.522
  275    HZ1  LYS  43           3HZ      LYS  43   8.161   5.352  -3.833
  276    HZ2  LYS  43           1HZ      LYS  43   8.620   4.208  -2.668
  277    HZ3  LYS  43           2HZ      LYS  43   7.022   4.239  -3.244
  278    H    ILE  44           H        ILE  44  12.044   1.865  -1.736
  279    HA   ILE  44           HA       ILE  44  11.619   1.728   1.041
  280    HB   ILE  44           HB       ILE  44  13.388   3.115   0.187
  281   HG12  ILE  44          2HG1      ILE  44  12.789   5.363   1.224
  282   HG13  ILE  44          1HG1      ILE  44  11.167   4.721   1.482
  283   HG21  ILE  44          1HG2      ILE  44  11.752   3.700  -1.865
  284   HG22  ILE  44          2HG2      ILE  44  13.150   4.695  -1.459
  285   HG23  ILE  44          3HG2      ILE  44  11.541   5.170  -0.916
  286   HD11  ILE  44          3HD1      ILE  44  12.910   4.497   3.403
  287   HD12  ILE  44          1HD1      ILE  44  13.578   3.190   2.425
  288   HD13  ILE  44          2HD1      ILE  44  11.914   3.098   3.002
  289    H    CYS  45           H        CYS  45   9.367   1.349   1.413
  290    HA   CYS  45           HA       CYS  45   7.296   3.148   0.505
  291    HB2  CYS  45           2HB      CYS  45   5.973   2.050   2.385
  292    HB3  CYS  45           1HB      CYS  45   6.647   0.935   1.195
  293    H    ARG  46           H        ARG  46   9.211   2.879   3.479
  294    HA   ARG  46           HA       ARG  46   8.699   5.722   4.053
  295    HB2  ARG  46           2HB      ARG  46   7.340   3.540   5.449
  296    HB3  ARG  46           1HB      ARG  46   8.260   4.567   6.550
  297    HG2  ARG  46           2HG      ARG  46   6.842   6.311   6.277
  298    HG3  ARG  46           1HG      ARG  46   6.774   6.089   4.528
  299    HD2  ARG  46           2HD      ARG  46   4.578   5.593   5.190
  300    HD3  ARG  46           1HD      ARG  46   5.320   3.996   5.097
  301    HE   ARG  46           HE       ARG  46   5.729   4.420   7.669
  302   HH11  ARG  46          1HH2      ARG  46   3.092   3.198   6.788
  303   HH12  ARG  46          2HH2      ARG  46   1.956   4.187   7.644
  304   HH21  ARG  46          1HH1      ARG  46   4.255   6.684   8.345
  305   HH22  ARG  46          2HH1      ARG  46   2.615   6.160   8.525
  306    H    ILE  47           H        ILE  47  10.041   6.376   6.042
  307    HA   ILE  47           HA       ILE  47  12.635   4.949   5.878
  308    HB   ILE  47           HB       ILE  47  12.260   7.537   5.656
  309   HG12  ILE  47          2HG1      ILE  47  14.452   7.375   7.493
  310   HG13  ILE  47          1HG1      ILE  47  14.410   5.891   6.539
  311   HG21  ILE  47          1HG2      ILE  47  12.299   8.774   7.707
  312   HG22  ILE  47          2HG2      ILE  47  12.534   7.309   8.660
  313   HG23  ILE  47          3HG2      ILE  47  10.990   7.601   7.860
  314   HD11  ILE  47          3HD1      ILE  47  15.699   7.946   5.581
  315   HD12  ILE  47          1HD1      ILE  47  14.094   8.571   5.202
  316   HD13  ILE  47          2HD1      ILE  47  14.634   7.044   4.504
  317    H    ALA  48           H        ALA  48  13.811   5.343   8.266
  318    HA   ALA  48           HA       ALA  48  11.956   4.034  10.215
  319    HB1  ALA  48           1HB      ALA  48  14.922   3.616   9.754
  320    HB2  ALA  48           2HB      ALA  48  13.630   2.439   9.517
  321    HB3  ALA  48           3HB      ALA  48  14.052   2.970  11.145
  322    H    ARG  49           H        ARG  49  13.624   4.211  12.469
  323    HA   ARG  49           HA       ARG  49  13.829   7.174  12.803
  324    HB2  ARG  49           2HB      ARG  49  11.998   6.284  14.139
  325    HB3  ARG  49           1HB      ARG  49  13.062   5.056  14.828
  326    HG2  ARG  49           2HG      ARG  49  13.986   6.513  16.304
  327    HG3  ARG  49           1HG      ARG  49  14.072   7.808  15.108
  328    HD2  ARG  49           2HD      ARG  49  12.507   8.455  16.860
  329    HD3  ARG  49           1HD      ARG  49  11.608   8.153  15.373
  330    HE   ARG  49           HE       ARG  49  11.683   5.728  16.851
  331   HH11  ARG  49          1HH2      ARG  49  11.238   7.990  18.934
  332   HH12  ARG  49          2HH2      ARG  49   9.509   7.965  19.042
  333   HH21  ARG  49          1HH1      ARG  49   9.091   6.093  16.154
  334   HH22  ARG  49          2HH1      ARG  49   8.293   6.892  17.468
  335    H    GLY  50           H        GLY  50  15.332   4.071  13.403
  336    HA2  GLY  50           2HA      GLY  50  17.937   4.560  13.253
  337    HA3  GLY  50           1HA      GLY  50  17.613   5.399  14.767
  338    H    ASP  51           H        ASP  51  17.944   2.325  13.228
  339    HA   ASP  51           HA       ASP  51  18.919   0.768  15.189
  340    HB2  ASP  51           2HB      ASP  51  16.090   1.374  15.838
  341    HB3  ASP  51           1HB      ASP  51  16.565  -0.318  15.988
  342    H    TRP  52           H        TRP  52  16.103   0.808  13.070
  343    HA   TRP  52           HA       TRP  52  17.000  -1.825  11.969
  344    HB2  TRP  52           2HB      TRP  52  14.663  -2.239  11.342
  345    HB3  TRP  52           1HB      TRP  52  14.765  -1.908  13.071
  346    HD1  TRP  52           HD       TRP  52  13.386  -0.543   9.834
  347    HE1  TRP  52           1HE      TRP  52  11.948   1.539  10.324
  348    HE3  TRP  52           3HE      TRP  52  14.492   0.152  14.767
  349    HZ2  TRP  52           2HZ      TRP  52  11.346   3.270  12.521
  350    HZ3  TRP  52           3HZ      TRP  52  13.475   2.020  16.036
  351    HH2  TRP  52           HH       TRP  52  11.903   3.580  14.919
  352    H    ASN  53           H        ASN  53  16.717  -2.054   9.612
  353    HA   ASN  53           HA       ASN  53  17.685   0.169   8.140
  354    HB2  ASN  53           2HB      ASN  53  17.236  -2.512   7.612
  355    HB3  ASN  53           1HB      ASN  53  16.089  -1.701   6.544
  356   HD21  ASN  53          1HD2      ASN  53  19.458  -0.946   7.624
  357   HD22  ASN  53          2HD2      ASN  53  20.054  -0.683   6.056
  358    H    ASP  54           H        ASP  54  16.189   0.636   5.941
  359    HA   ASP  54           HA       ASP  54  14.074   2.355   6.955
  360    HB2  ASP  54           2HB      ASP  54  14.527   1.613   4.057
  361    HB3  ASP  54           1HB      ASP  54  13.845   3.105   4.706
  362    H    ASP  55           H        ASP  55  12.329   1.793   4.550
  363    HA   ASP  55           HA       ASP  55  11.176  -0.829   5.378
  364    HB2  ASP  55           2HB      ASP  55   9.570   1.712   4.975
  365    HB3  ASP  55           1HB      ASP  55   8.933   0.132   5.432
  366    H    ARG  56           H        ARG  56  11.141  -2.041   3.558
  367    HA   ARG  56           HA       ARG  56  10.903  -0.694   0.919
  368    HB2  ARG  56           2HB      ARG  56  11.429  -3.621   1.461
  369    HB3  ARG  56           1HB      ARG  56  11.742  -2.721  -0.022
  370    HG2  ARG  56           2HG      ARG  56  13.042  -1.572   2.352
  371    HG3  ARG  56           1HG      ARG  56  13.608  -3.192   1.943
  372    HD2  ARG  56           2HD      ARG  56  13.484  -1.979  -0.529
  373    HD3  ARG  56           1HD      ARG  56  14.012  -0.656   0.513
  374    HE   ARG  56           HE       ARG  56  15.463  -3.258   0.252
  375   HH11  ARG  56          1HH1      ARG  56  16.626  -0.925  -1.131
  376   HH12  ARG  56          2HH1      ARG  56  17.727  -0.287   0.044
  377   HH21  ARG  56          1HH2      ARG  56  16.303  -1.994   2.703
  378   HH22  ARG  56          2HH2      ARG  56  17.544  -0.892   2.212
  379    H    CYS  57           H        CYS  57   9.248  -1.175  -0.532
  380    HA   CYS  57           HA       CYS  57   6.762  -2.133   0.660
  381    HB2  CYS  57           2HB      CYS  57   7.553  -0.670  -1.727
  382    HB3  CYS  57           1HB      CYS  57   6.394  -1.936  -2.110
  383    H    THR  58           H        THR  58   5.583  -3.975  -0.111
  384    HA   THR  58           HA       THR  58   7.256  -6.274  -0.663
  385    HB   THR  58           HB       THR  58   4.461  -6.795  -1.129
  386    HG1  THR  58           1HG      THR  58   3.658  -6.001   0.802
  387   HG21  THR  58          3HG2      THR  58   5.794  -7.456   1.449
  388   HG22  THR  58          1HG2      THR  58   6.531  -8.094  -0.021
  389   HG23  THR  58          2HG2      THR  58   4.857  -8.489   0.370
  390    H    GLY  59           H        GLY  59   5.624  -3.960  -2.615
  391    HA2  GLY  59           2HA      GLY  59   5.994  -3.771  -4.983
  392    HA3  GLY  59           1HA      GLY  59   6.436  -5.476  -5.026
  393    H    GLN  60           H        GLN  60   4.081  -6.393  -3.554
  394    HA   GLN  60           HA       GLN  60   2.066  -5.958  -5.717
  395    HB2  GLN  60           2HB      GLN  60   1.191  -8.167  -5.161
  396    HB3  GLN  60           1HB      GLN  60   2.925  -8.285  -5.458
  397    HG2  GLN  60           2HG      GLN  60   3.006  -7.806  -2.820
  398    HG3  GLN  60           1HG      GLN  60   1.416  -8.568  -2.902
  399   HE21  GLN  60          1HE2      GLN  60   1.618 -10.590  -4.676
  400   HE22  GLN  60          2HE2      GLN  60   2.878 -11.660  -4.287
  401    H    SER  61           H        SER  61   2.714  -5.102  -2.552
  402    HA   SER  61           HA       SER  61  -0.208  -4.964  -1.910
  403    HB2  SER  61           2HB      SER  61   2.239  -5.259  -0.192
  404    HB3  SER  61           1HB      SER  61   0.782  -4.531   0.479
  405    HG   SER  61           HG       SER  61   1.224  -7.022   0.392
  406    H    ALA  62           H        ALA  62  -1.064  -2.956  -2.087
  407    HA   ALA  62           HA       ALA  62   0.351  -0.596  -2.712
  408    HB1  ALA  62           1HB      ALA  62  -2.347  -1.287  -2.134
  409    HB2  ALA  62           2HB      ALA  62  -1.752   0.224  -2.820
  410    HB3  ALA  62           3HB      ALA  62  -1.934   0.058  -1.074
  411    H    ASP  63           H        ASP  63  -0.567  -1.918   0.457
  412    HA   ASP  63           HA       ASP  63   0.604   0.344   1.885
  413    HB2  ASP  63           2HB      ASP  63  -0.561  -2.315   2.687
  414    HB3  ASP  63           1HB      ASP  63   0.358  -1.364   3.855
  415    H    CYS  64           H        CYS  64   2.235  -0.554   3.768
  416    HA   CYS  64           HA       CYS  64   4.311  -2.176   2.365
  417    HB2  CYS  64           2HB      CYS  64   5.150   0.003   2.105
  418    HB3  CYS  64           1HB      CYS  64   4.553   0.523   3.676
  419    HA   PRO  65           HA       PRO  65   4.387  -4.398   6.117
  420    HB2  PRO  65           2HB      PRO  65   6.673  -5.794   5.552
  421    HB3  PRO  65           1HB      PRO  65   5.108  -6.185   4.841
  422    HG2  PRO  65           2HG      PRO  65   7.479  -4.874   3.610
  423    HG3  PRO  65           1HG      PRO  65   6.183  -5.803   2.838
  424    HD2  PRO  65           2HD      PRO  65   6.414  -2.991   2.864
  425    HD3  PRO  65           1HD      PRO  65   4.973  -3.919   2.399
  426    H    ARG  66           H        ARG  66   4.884  -2.696   7.625
  427    HA   ARG  66           HA       ARG  66   7.620  -1.671   7.827
  428    HB2  ARG  66           2HB      ARG  66   6.631  -0.557   9.925
  429    HB3  ARG  66           1HB      ARG  66   5.936  -0.091   8.372
  430    HG2  ARG  66           2HG      ARG  66   4.634  -2.451   9.498
  431    HG3  ARG  66           1HG      ARG  66   4.517  -1.052  10.565
  432    HD2  ARG  66           2HD      ARG  66   3.967   0.146   8.210
  433    HD3  ARG  66           1HD      ARG  66   3.357  -1.472   7.861
  434    HE   ARG  66           HE       ARG  66   2.215  -0.978  10.283
  435   HH11  ARG  66          1HH1      ARG  66   2.919   1.849   8.837
  436   HH12  ARG  66          2HH1      ARG  66   1.298   2.318   8.449
  437   HH21  ARG  66          1HH2      ARG  66  -0.058  -0.790   9.173
  438   HH22  ARG  66          2HH2      ARG  66  -0.386   0.825   8.639
  439    H    ASN  67           H        ASN  67   8.944  -1.912   9.735
  440    HA   ASN  67           HA       ASN  67   9.056  -4.618  10.731
  441    HB2  ASN  67           2HB      ASN  67  10.947  -3.780  12.072
  442    HB3  ASN  67           1HB      ASN  67  11.057  -3.181  10.422
  443   HD21  ASN  67          1HD2      ASN  67  10.743  -2.239  13.750
  444   HD22  ASN  67          2HD2      ASN  67  10.631  -0.569  13.487
  445    HA   PRO  68           HA       PRO  68   6.618  -4.242  14.378
  446    HB2  PRO  68           2HB      PRO  68   8.023  -5.856  16.109
  447    HB3  PRO  68           1HB      PRO  68   7.041  -6.473  14.769
  448    HG2  PRO  68           2HG      PRO  68   9.997  -6.328  15.028
  449    HG3  PRO  68           1HG      PRO  68   9.011  -7.393  14.012
  450    HD2  PRO  68           2HD      PRO  68  10.415  -5.070  13.172
  451    HD3  PRO  68           1HD      PRO  68   9.254  -6.005  12.216
  452    H    TRP  69           H        TRP  69   8.860  -2.196  14.116
  453    HA   TRP  69           HA       TRP  69   9.009  -1.516  17.006
  454    HB2  TRP  69           2HB      TRP  69  11.339  -1.044  15.146
  455    HB3  TRP  69           1HB      TRP  69  11.326  -1.067  16.911
  456    HD1  TRP  69           HD       TRP  69  10.092  -3.605  17.748
  457    HE1  TRP  69           1HE      TRP  69  10.971  -5.935  17.110
  458    HE3  TRP  69           3HE      TRP  69  12.783  -2.411  13.577
  459    HZ2  TRP  69           2HZ      TRP  69  12.583  -7.139  15.098
  460    HZ3  TRP  69           3HZ      TRP  69  13.973  -4.182  12.314
  461    HH2  TRP  69           HH       TRP  69  13.867  -6.541  13.073
  462    H    ASN  70           H        ASN  70   8.159  -0.554  13.902
  463    HA   ASN  70           HA       ASN  70   8.206   2.310  14.752
  464    HB2  ASN  70           2HB      ASN  70   8.489   2.933  12.384
  465    HB3  ASN  70           1HB      ASN  70   9.818   1.910  12.923
  466   HD21  ASN  70          1HD2      ASN  70   9.529   1.873  10.242
  467   HD22  ASN  70          2HD2      ASN  70   8.754   0.462   9.705
  468    H    GLY  71           H        GLY  71   6.657   3.157  12.462
  469    HA2  GLY  71           2HA      GLY  71   4.235   1.614  12.230
  470    HA3  GLY  71           1HA      GLY  71   4.032   2.905  13.415
  Start of MODEL    8
    1    H    GLY   1           1HT      GLY   1 -16.647  -5.861   6.856
    2    HA2  GLY   1           1HA      GLY   1 -14.938  -4.293   6.053
    3    HA3  GLY   1           2HA      GLY   1 -13.772  -5.152   7.058
    4    H    LYS   2           H        LYS   2 -16.465  -6.407   5.076
    5    HA   LYS   2           HA       LYS   2 -14.431  -8.024   3.590
    6    HB2  LYS   2           2HB      LYS   2 -17.074  -8.720   4.773
    7    HB3  LYS   2           1HB      LYS   2 -16.685  -9.451   3.215
    8    HG2  LYS   2           2HG      LYS   2 -14.471 -10.166   4.201
    9    HG3  LYS   2           1HG      LYS   2 -15.066  -9.622   5.769
   10    HD2  LYS   2           2HD      LYS   2 -15.638 -11.893   5.788
   11    HD3  LYS   2           1HD      LYS   2 -17.129 -11.138   5.222
   12    HE2  LYS   2           2HE      LYS   2 -16.040 -11.470   2.843
   13    HE3  LYS   2           1HE      LYS   2 -15.094 -12.707   3.672
   14    HZ1  LYS   2           3HZ      LYS   2 -16.898 -14.000   4.003
   15    HZ2  LYS   2           1HZ      LYS   2 -17.458 -13.195   2.620
   16    HZ3  LYS   2           2HZ      LYS   2 -17.967 -12.689   4.159
   17    H    GLU   3           H        GLU   3 -15.194  -5.404   2.788
   18    HA   GLU   3           HA       GLU   3 -15.913  -5.868   0.049
   19    HB2  GLU   3           2HB      GLU   3 -18.155  -6.145   1.320
   20    HB3  GLU   3           1HB      GLU   3 -18.068  -4.403   1.575
   21    HG2  GLU   3           2HG      GLU   3 -18.653  -3.965  -0.563
   22    HG3  GLU   3           1HG      GLU   3 -17.497  -5.139  -1.194
   23    H    CYS   4           H        CYS   4 -13.855  -4.506   1.358
   24    HA   CYS   4           HA       CYS   4 -14.122  -1.885   0.116
   25    HB2  CYS   4           2HB      CYS   4 -15.174  -1.379   2.255
   26    HB3  CYS   4           1HB      CYS   4 -13.830  -2.118   3.126
   27    H    ASP   5           H        ASP   5 -12.192  -1.589  -0.836
   28    HA   ASP   5           HA       ASP   5  -9.796  -2.886   0.377
   29    HB2  ASP   5           2HB      ASP   5 -10.685  -3.281  -2.097
   30    HB3  ASP   5           1HB      ASP   5  -9.807  -1.783  -2.409
   31    H    CYS   6           H        CYS   6 -11.267   0.146  -0.233
   32    HA   CYS   6           HA       CYS   6  -8.701   1.498   0.481
   33    HB2  CYS   6           2HB      CYS   6  -9.156   3.298  -1.032
   34    HB3  CYS   6           1HB      CYS   6  -9.383   1.813  -1.954
   35    H    SER   7           H        SER   7  -8.902   2.713   2.305
   36    HA   SER   7           HA       SER   7 -11.525   2.982   3.569
   37    HB2  SER   7           2HB      SER   7  -9.883   2.642   5.178
   38    HB3  SER   7           1HB      SER   7  -8.695   3.620   4.321
   39    HG   SER   7           HG       SER   7 -10.265   4.354   6.298
   40    H    SER   8           H        SER   8  -9.562   4.907   1.487
   41    HA   SER   8           HA       SER   8 -10.823   7.435   2.312
   42    HB2  SER   8           2HB      SER   8  -9.293   7.295  -0.225
   43    HB3  SER   8           1HB      SER   8  -9.197   8.472   1.083
   44    HG   SER   8           HG       SER   8  -7.561   6.499   0.623
   45    HA   PRO   9           HA       PRO   9 -14.133   6.612  -0.589
   46    HB2  PRO   9           2HB      PRO   9 -15.633   8.797   0.146
   47    HB3  PRO   9           1HB      PRO   9 -15.606   7.278   1.058
   48    HG2  PRO   9           2HG      PRO   9 -14.319   9.886   1.716
   49    HG3  PRO   9           1HG      PRO   9 -14.852   8.593   2.802
   50    HD2  PRO   9           2HD      PRO   9 -12.183   9.091   2.002
   51    HD3  PRO   9           1HD      PRO   9 -12.775   7.625   2.812
   52    H    GLU  10           H        GLU  10 -12.209   9.511  -0.276
   53    HA   GLU  10           HA       GLU  10 -13.213  10.617  -2.834
   54    HB2  GLU  10           2HB      GLU  10 -12.348  11.864  -0.582
   55    HB3  GLU  10           1HB      GLU  10 -10.846  11.823  -1.506
   56    HG2  GLU  10           2HG      GLU  10 -12.803  12.560  -3.371
   57    HG3  GLU  10           1HG      GLU  10 -13.207  13.471  -1.915
   58    H    ASN  11           H        ASN  11 -11.799   8.036  -2.741
   59    HA   ASN  11           HA       ASN  11  -9.274   8.720  -4.163
   60    HB2  ASN  11           2HB      ASN  11  -8.688   7.208  -2.489
   61    HB3  ASN  11           1HB      ASN  11 -10.223   6.349  -2.587
   62   HD21  ASN  11          1HD2      ASN  11  -8.986   4.302  -2.784
   63   HD22  ASN  11          2HD2      ASN  11  -8.270   3.880  -4.262
   64    HA   PRO  12           HA       PRO  12 -11.499   7.533  -7.837
   65    HB2  PRO  12           2HB      PRO  12  -9.399   7.942  -9.562
   66    HB3  PRO  12           1HB      PRO  12 -10.394   9.252  -8.906
   67    HG2  PRO  12           2HG      PRO  12  -7.614   8.465  -8.178
   68    HG3  PRO  12           1HG      PRO  12  -8.406  10.044  -8.041
   69    HD2  PRO  12           2HD      PRO  12  -7.962   8.214  -5.922
   70    HD3  PRO  12           1HD      PRO  12  -9.016   9.643  -5.869
   71    H    CYS  13           H        CYS  13  -8.189   6.325  -7.239
   72    HA   CYS  13           HA       CYS  13  -8.132   4.169  -9.023
   73    HB2  CYS  13           2HB      CYS  13  -7.018   4.375  -6.213
   74    HB3  CYS  13           1HB      CYS  13  -6.627   3.060  -7.318
   75    H    CYS  14           H        CYS  14  -9.892   4.466  -5.981
   76    HA   CYS  14           HA       CYS  14 -10.889   1.684  -6.412
   77    HB2  CYS  14           2HB      CYS  14 -11.181   1.427  -4.086
   78    HB3  CYS  14           1HB      CYS  14  -9.644   2.274  -4.228
   79    H    ASP  15           H        ASP  15 -13.149   1.691  -4.925
   80    HA   ASP  15           HA       ASP  15 -14.842   3.817  -6.175
   81    HB2  ASP  15           2HB      ASP  15 -14.981   1.393  -7.108
   82    HB3  ASP  15           1HB      ASP  15 -15.810   1.023  -5.600
   83    H    ALA  16           H        ALA  16 -15.810   5.026  -4.631
   84    HA   ALA  16           HA       ALA  16 -15.804   4.272  -1.843
   85    HB1  ALA  16           1HB      ALA  16 -15.981   6.645  -3.076
   86    HB2  ALA  16           2HB      ALA  16 -16.621   6.394  -1.452
   87    HB3  ALA  16           3HB      ALA  16 -17.703   6.346  -2.844
   88    H    ALA  17           H        ALA  17 -18.106   3.978  -4.480
   89    HA   ALA  17           HA       ALA  17 -20.488   3.514  -3.032
   90    HB1  ALA  17           1HB      ALA  17 -19.951   1.770  -5.386
   91    HB2  ALA  17           2HB      ALA  17 -19.885   3.510  -5.658
   92    HB3  ALA  17           3HB      ALA  17 -21.357   2.771  -5.029
   93    H    THR  18           H        THR  18 -18.136   1.075  -4.197
   94    HA   THR  18           HA       THR  18 -19.265  -0.827  -2.201
   95    HB   THR  18           HB       THR  18 -19.171  -1.969  -4.232
   96    HG1  THR  18           1HG      THR  18 -16.512  -2.481  -3.560
   97   HG21  THR  18          3HG2      THR  18 -18.126  -0.232  -5.560
   98   HG22  THR  18          1HG2      THR  18 -17.239  -1.735  -5.814
   99   HG23  THR  18          2HG2      THR  18 -16.579  -0.491  -4.753
  100    H    CYS  19           H        CYS  19 -16.814   1.407  -2.449
  101    HA   CYS  19           HA       CYS  19 -14.947   1.817  -1.093
  102    HB2  CYS  19           2HB      CYS  19 -16.652   0.608   0.573
  103    HB3  CYS  19           1HB      CYS  19 -15.430  -0.658   0.510
  104    H    LYS  20           H        LYS  20 -15.104  -0.381  -3.347
  105    HA   LYS  20           HA       LYS  20 -12.438  -1.576  -2.666
  106    HB2  LYS  20           2HB      LYS  20 -14.626  -2.826  -4.358
  107    HB3  LYS  20           1HB      LYS  20 -13.033  -3.522  -4.053
  108    HG2  LYS  20           2HG      LYS  20 -14.152  -2.837  -1.523
  109    HG3  LYS  20           1HG      LYS  20 -15.388  -3.712  -2.426
  110    HD2  LYS  20           2HD      LYS  20 -12.602  -4.784  -2.505
  111    HD3  LYS  20           1HD      LYS  20 -13.522  -5.000  -1.016
  112    HE2  LYS  20           2HE      LYS  20 -15.419  -5.745  -2.751
  113    HE3  LYS  20           1HE      LYS  20 -14.006  -6.151  -3.724
  114    HZ1  LYS  20           3HZ      LYS  20 -13.224  -7.209  -1.479
  115    HZ2  LYS  20           1HZ      LYS  20 -14.247  -8.060  -2.531
  116    HZ3  LYS  20           2HZ      LYS  20 -14.893  -7.276  -1.168
  117    H    LEU  21           H        LEU  21 -11.542  -2.479  -5.013
  118    HA   LEU  21           HA       LEU  21 -10.733  -0.152  -6.425
  119    HB2  LEU  21           2HB      LEU  21 -10.541  -3.086  -6.847
  120    HB3  LEU  21           1HB      LEU  21 -10.321  -2.075  -8.278
  121    HG   LEU  21           HG       LEU  21  -8.864  -0.809  -6.227
  122   HD11  LEU  21          1HD1      LEU  21  -9.179  -3.461  -5.473
  123   HD12  LEU  21          2HD1      LEU  21  -7.888  -2.387  -4.933
  124   HD13  LEU  21          3HD1      LEU  21  -7.623  -3.461  -6.306
  125   HD21  LEU  21          3HD2      LEU  21  -8.441  -2.069  -8.826
  126   HD22  LEU  21          1HD2      LEU  21  -7.037  -2.248  -7.773
  127   HD23  LEU  21          2HD2      LEU  21  -7.667  -0.642  -8.138
  128    H    ARG  22           H        ARG  22 -11.658   0.990  -8.084
  129    HA   ARG  22           HA       ARG  22 -14.345   0.161  -8.979
  130    HB2  ARG  22           2HB      ARG  22 -13.064   2.649  -8.598
  131    HB3  ARG  22           1HB      ARG  22 -13.355   2.512 -10.332
  132    HG2  ARG  22           2HG      ARG  22 -15.661   1.558  -8.897
  133    HG3  ARG  22           1HG      ARG  22 -15.235   3.172  -8.328
  134    HD2  ARG  22           2HD      ARG  22 -15.096   3.895 -10.743
  135    HD3  ARG  22           1HD      ARG  22 -15.763   2.323 -11.186
  136    HE   ARG  22           HE       ARG  22 -17.469   3.510  -9.233
  137   HH11  ARG  22          1HH2      ARG  22 -16.736   5.807 -11.145
  138   HH12  ARG  22          2HH2      ARG  22 -18.043   5.709 -12.277
  139   HH21  ARG  22          1HH1      ARG  22 -19.024   2.539 -11.273
  140   HH22  ARG  22          2HH1      ARG  22 -19.339   3.859 -12.350
  141    HA   PRO  23           HA       PRO  23 -12.146   0.143 -13.195
  142    HB2  PRO  23           2HB      PRO  23  -9.479   0.787 -13.295
  143    HB3  PRO  23           1HB      PRO  23 -10.775   1.990 -13.416
  144    HG2  PRO  23           2HG      PRO  23  -8.949   1.424 -11.132
  145    HG3  PRO  23           1HG      PRO  23  -9.802   2.921 -11.542
  146    HD2  PRO  23           2HD      PRO  23 -10.560   1.048  -9.549
  147    HD3  PRO  23           1HD      PRO  23 -11.534   2.402 -10.153
  148    H    GLY  24           H        GLY  24  -9.800  -0.987 -14.121
  149    HA2  GLY  24           2HA      GLY  24  -9.777  -3.585 -12.701
  150    HA3  GLY  24           1HA      GLY  24  -9.111  -3.281 -14.308
  151    H    ALA  25           H        ALA  25  -8.494  -1.176 -11.575
  152    HA   ALA  25           HA       ALA  25  -5.633  -1.383 -11.932
  153    HB1  ALA  25           1HB      ALA  25  -5.823   0.613 -10.902
  154    HB2  ALA  25           2HB      ALA  25  -6.163  -0.247  -9.401
  155    HB3  ALA  25           3HB      ALA  25  -7.489   0.262 -10.445
  156    H    GLN  26           H        GLN  26  -4.223  -1.846  -9.920
  157    HA   GLN  26           HA       GLN  26  -4.992  -4.516  -8.901
  158    HB2  GLN  26           2HB      GLN  26  -2.512  -3.087  -9.454
  159    HB3  GLN  26           1HB      GLN  26  -2.493  -3.825  -7.853
  160    HG2  GLN  26           2HG      GLN  26  -3.434  -5.393 -10.244
  161    HG3  GLN  26           1HG      GLN  26  -1.714  -5.249  -9.880
  162   HE21  GLN  26          1HE2      GLN  26  -1.169  -7.239  -8.939
  163   HE22  GLN  26          2HE2      GLN  26  -1.997  -7.939  -7.635
  164    H    CYS  27           H        CYS  27  -3.986  -1.344  -7.671
  165    HA   CYS  27           HA       CYS  27  -5.252  -2.032  -5.052
  166    HB2  CYS  27           2HB      CYS  27  -3.421  -0.729  -3.974
  167    HB3  CYS  27           1HB      CYS  27  -2.834  -2.175  -4.799
  168    H    GLY  28           H        GLY  28  -6.444  -0.358  -4.119
  169    HA2  GLY  28           2HA      GLY  28  -7.000   1.958  -5.863
  170    HA3  GLY  28           1HA      GLY  28  -7.898   1.523  -4.412
  171    H    GLU  29           H        GLU  29  -5.540   1.150  -2.817
  172    HA   GLU  29           HA       GLU  29  -4.206   3.778  -2.811
  173    HB2  GLU  29           2HB      GLU  29  -4.832   4.205  -0.492
  174    HB3  GLU  29           1HB      GLU  29  -6.275   4.077  -1.478
  175    HG2  GLU  29           2HG      GLU  29  -7.021   2.441  -0.135
  176    HG3  GLU  29           1HG      GLU  29  -5.642   1.453  -0.618
  177    H    GLY  30           H        GLY  30  -2.647   3.672  -0.688
  178    HA2  GLY  30           1HA      GLY  30  -1.664   1.576   0.634
  179    HA3  GLY  30           2HA      GLY  30  -1.249   1.079  -0.999
  180    H    LEU  31           H        LEU  31   0.571   1.792   1.235
  181    HA   LEU  31           HA       LEU  31   1.732   4.357   0.884
  182    HB2  LEU  31           2HB      LEU  31   2.683   1.721   1.900
  183    HB3  LEU  31           1HB      LEU  31   3.920   2.888   1.444
  184    HG   LEU  31           HG       LEU  31   2.650   4.589   2.857
  185   HD11  LEU  31          1HD1      LEU  31   0.549   3.202   2.929
  186   HD12  LEU  31          2HD1      LEU  31   1.107   3.734   4.516
  187   HD13  LEU  31          3HD1      LEU  31   1.393   2.075   3.990
  188   HD21  LEU  31          3HD2      LEU  31   3.532   2.350   4.629
  189   HD22  LEU  31          1HD2      LEU  31   3.973   4.057   4.675
  190   HD23  LEU  31          2HD2      LEU  31   4.702   2.989   3.476
  191    H    CYS  32           H        CYS  32   1.836   1.481  -1.077
  192    HA   CYS  32           HA       CYS  32   3.752   2.868  -2.889
  193    HB2  CYS  32           2HB      CYS  32   3.432  -0.029  -2.195
  194    HB3  CYS  32           1HB      CYS  32   4.135   0.440  -3.739
  195    H    CYS  33           H        CYS  33   0.566   2.441  -2.654
  196    HA   CYS  33           HA       CYS  33   0.023   1.264  -5.264
  197    HB2  CYS  33           2HB      CYS  33  -1.632   1.243  -3.361
  198    HB3  CYS  33           1HB      CYS  33  -1.866   2.966  -3.618
  199    H    GLU  34           H        GLU  34   0.929   2.374  -6.931
  200    HA   GLU  34           HA       GLU  34   0.364   5.305  -7.104
  201    HB2  GLU  34           2HB      GLU  34   2.778   4.720  -6.956
  202    HB3  GLU  34           1HB      GLU  34   2.605   3.716  -8.395
  203    HG2  GLU  34           2HG      GLU  34   3.385   5.734  -9.286
  204    HG3  GLU  34           1HG      GLU  34   1.639   5.884  -9.487
  205    H    GLN  35           H        GLN  35  -0.755   6.001  -8.908
  206    HA   GLN  35           HA       GLN  35  -1.995   5.857 -10.895
  207    HB2  GLN  35           2HB      GLN  35  -0.003   3.640 -11.470
  208    HB3  GLN  35           1HB      GLN  35  -1.102   4.342 -12.657
  209    HG2  GLN  35           2HG      GLN  35   0.676   6.174 -11.087
  210    HG3  GLN  35           1HG      GLN  35   1.372   5.254 -12.421
  211   HE21  GLN  35          1HE2      GLN  35   1.573   6.926 -13.988
  212   HE22  GLN  35          2HE2      GLN  35   0.253   7.810 -14.584
  213    H    CYS  36           H        CYS  36  -2.587   4.163  -8.463
  214    HA   CYS  36           HA       CYS  36  -4.256   2.619  -7.885
  215    HB2  CYS  36           2HB      CYS  36  -4.941   2.355 -10.812
  216    HB3  CYS  36           1HB      CYS  36  -6.006   2.197  -9.412
  217    H    LYS  37           H        LYS  37  -1.482   1.934  -9.205
  218    HA   LYS  37           HA       LYS  37  -2.100  -0.974  -9.546
  219    HB2  LYS  37           2HB      LYS  37   0.239   0.454 -10.822
  220    HB3  LYS  37           1HB      LYS  37  -0.379  -1.155 -11.191
  221    HG2  LYS  37           2HG      LYS  37  -2.447   0.884 -11.451
  222    HG3  LYS  37           1HG      LYS  37  -1.070   1.207 -12.505
  223    HD2  LYS  37           2HD      LYS  37  -2.363  -1.521 -12.331
  224    HD3  LYS  37           1HD      LYS  37  -2.903  -0.294 -13.477
  225    HE2  LYS  37           2HE      LYS  37  -0.335  -0.155 -14.071
  226    HE3  LYS  37           1HE      LYS  37  -0.299  -1.777 -13.380
  227    HZ1  LYS  37           3HZ      LYS  37  -1.157  -2.558 -15.247
  228    HZ2  LYS  37           1HZ      LYS  37  -1.181  -0.999 -15.916
  229    HZ3  LYS  37           2HZ      LYS  37  -2.530  -1.575 -15.059
  230    H    PHE  38           H        PHE  38  -0.159  -2.374  -8.985
  231    HA   PHE  38           HA       PHE  38   0.835  -1.553  -6.364
  232    HB2  PHE  38           2HB      PHE  38   1.056  -4.030  -8.054
  233    HB3  PHE  38           1HB      PHE  38   2.111  -3.824  -6.657
  234    HD1  PHE  38           2HD      PHE  38   0.478  -2.476  -4.693
  235    HD2  PHE  38           1HD      PHE  38  -0.630  -5.552  -7.478
  236    HE1  PHE  38           2HE      PHE  38  -1.362  -3.180  -3.187
  237    HE2  PHE  38           1HE      PHE  38  -2.469  -6.255  -5.971
  238    HZ   PHE  38           HZ       PHE  38  -2.836  -5.068  -3.825
  239    H    SER  39           H        SER  39   2.772  -0.620  -5.959
  240    HA   SER  39           HA       SER  39   4.523   0.284  -8.027
  241    HB2  SER  39           2HB      SER  39   5.929   1.058  -6.278
  242    HB3  SER  39           1HB      SER  39   4.322   1.089  -5.560
  243    HG   SER  39           HG       SER  39   4.932  -1.198  -4.941
  244    H    ARG  40           H        ARG  40   7.023  -0.652  -6.579
  245    HA   ARG  40           HA       ARG  40   7.058  -3.445  -7.640
  246    HB2  ARG  40           2HB      ARG  40   9.395  -3.071  -8.299
  247    HB3  ARG  40           1HB      ARG  40   8.356  -1.865  -9.061
  248    HG2  ARG  40           2HG      ARG  40   9.203  -0.937  -6.461
  249    HG3  ARG  40           1HG      ARG  40  10.606  -1.381  -7.432
  250    HD2  ARG  40           2HD      ARG  40   8.909  -0.032  -9.207
  251    HD3  ARG  40           1HD      ARG  40   8.833   0.903  -7.714
  252    HE   ARG  40           HE       ARG  40  11.540   0.444  -8.057
  253   HH11  ARG  40          1HH1      ARG  40   8.941   2.007  -9.673
  254   HH12  ARG  40          2HH1      ARG  40   9.967   2.948 -10.703
  255   HH21  ARG  40          1HH2      ARG  40  12.903   1.533  -9.521
  256   HH22  ARG  40          2HH2      ARG  40  12.210   2.681 -10.617
  257    H    ALA  41           H        ALA  41   8.578  -4.867  -6.491
  258    HA   ALA  41           HA       ALA  41   8.466  -4.501  -3.629
  259    HB1  ALA  41           1HB      ALA  41   9.270  -6.669  -3.485
  260    HB2  ALA  41           2HB      ALA  41  10.359  -6.468  -4.858
  261    HB3  ALA  41           3HB      ALA  41   8.633  -6.703  -5.130
  262    H    GLY  42           H        GLY  42  10.229  -4.294  -2.207
  263    HA2  GLY  42           2HA      GLY  42  12.236  -3.403  -1.481
  264    HA3  GLY  42           1HA      GLY  42  12.906  -3.631  -3.082
  265    H    LYS  43           H        LYS  43   9.916  -1.906  -2.596
  266    HA   LYS  43           HA       LYS  43  11.253   0.533  -3.654
  267    HB2  LYS  43           2HB      LYS  43   9.370   0.138  -4.955
  268    HB3  LYS  43           1HB      LYS  43   8.431  -0.485  -3.609
  269    HG2  LYS  43           2HG      LYS  43   7.460   1.540  -3.417
  270    HG3  LYS  43           1HG      LYS  43   9.016   2.226  -2.988
  271    HD2  LYS  43           2HD      LYS  43   9.549   2.656  -5.308
  272    HD3  LYS  43           1HD      LYS  43   8.102   1.799  -5.839
  273    HE2  LYS  43           2HE      LYS  43   6.794   3.609  -5.499
  274    HE3  LYS  43           1HE      LYS  43   7.484   3.892  -3.901
  275    HZ1  LYS  43           3HZ      LYS  43   8.095   5.743  -5.153
  276    HZ2  LYS  43           1HZ      LYS  43   8.481   4.822  -6.523
  277    HZ3  LYS  43           2HZ      LYS  43   9.489   4.772  -5.156
  278    H    ILE  44           H        ILE  44  11.729   2.183  -2.339
  279    HA   ILE  44           HA       ILE  44  11.476   2.170   0.449
  280    HB   ILE  44           HB       ILE  44  12.970   3.748  -0.478
  281   HG12  ILE  44          2HG1      ILE  44  12.268   5.873   0.441
  282   HG13  ILE  44          1HG1      ILE  44  10.567   5.425   0.304
  283   HG21  ILE  44          1HG2      ILE  44  10.612   4.482  -2.193
  284   HG22  ILE  44          2HG2      ILE  44  12.242   4.023  -2.686
  285   HG23  ILE  44          3HG2      ILE  44  11.948   5.614  -1.985
  286   HD11  ILE  44          3HD1      ILE  44  12.597   3.998   2.046
  287   HD12  ILE  44          1HD1      ILE  44  10.875   3.632   1.942
  288   HD13  ILE  44          2HD1      ILE  44  11.411   5.166   2.628
  289    H    CYS  45           H        CYS  45   9.626   1.994   1.555
  290    HA   CYS  45           HA       CYS  45   7.227   3.508   0.592
  291    HB2  CYS  45           2HB      CYS  45   6.160   1.853   2.406
  292    HB3  CYS  45           1HB      CYS  45   6.355   1.409   0.717
  293    H    ARG  46           H        ARG  46   9.518   3.138   3.130
  294    HA   ARG  46           HA       ARG  46   8.389   5.467   4.493
  295    HB2  ARG  46           2HB      ARG  46   7.182   3.398   5.411
  296    HB3  ARG  46           1HB      ARG  46   8.735   2.941   6.112
  297    HG2  ARG  46           2HG      ARG  46   8.822   4.905   7.460
  298    HG3  ARG  46           1HG      ARG  46   7.504   5.664   6.566
  299    HD2  ARG  46           2HD      ARG  46   5.937   4.644   7.830
  300    HD3  ARG  46           1HD      ARG  46   6.726   3.075   7.665
  301    HE   ARG  46           HE       ARG  46   7.108   4.975   9.872
  302   HH11  ARG  46          1HH1      ARG  46   6.771   2.040  10.268
  303   HH12  ARG  46          2HH1      ARG  46   8.388   1.524  10.612
  304   HH21  ARG  46          1HH2      ARG  46   9.856   4.414   9.379
  305   HH22  ARG  46          2HH2      ARG  46  10.135   2.868  10.109
  306    H    ILE  47           H        ILE  47   9.879   6.350   6.078
  307    HA   ILE  47           HA       ILE  47  12.671   5.572   5.479
  308    HB   ILE  47           HB       ILE  47  11.546   8.021   5.578
  309   HG12  ILE  47          2HG1      ILE  47  13.791   7.577   4.776
  310   HG13  ILE  47          1HG1      ILE  47  13.871   8.889   5.953
  311   HG21  ILE  47          1HG2      ILE  47  11.109   7.645   8.081
  312   HG22  ILE  47          2HG2      ILE  47  11.920   9.148   7.637
  313   HG23  ILE  47          3HG2      ILE  47  12.853   7.803   8.294
  314   HD11  ILE  47          3HD1      ILE  47  14.800   6.056   6.204
  315   HD12  ILE  47          1HD1      ILE  47  14.226   6.879   7.653
  316   HD13  ILE  47          2HD1      ILE  47  15.582   7.543   6.741
  317    H    ALA  48           H        ALA  48  13.968   4.576   6.981
  318    HA   ALA  48           HA       ALA  48  12.707   3.757   9.520
  319    HB1  ALA  48           1HB      ALA  48  14.066   2.226   7.948
  320    HB2  ALA  48           2HB      ALA  48  14.423   2.132   9.672
  321    HB3  ALA  48           3HB      ALA  48  15.489   3.040   8.599
  322    H    ARG  49           H        ARG  49  13.227   4.634  11.480
  323    HA   ARG  49           HA       ARG  49  15.207   6.836  11.511
  324    HB2  ARG  49           2HB      ARG  49  14.252   7.379  13.703
  325    HB3  ARG  49           1HB      ARG  49  12.958   7.185  12.520
  326    HG2  ARG  49           2HG      ARG  49  13.269   4.614  13.452
  327    HG3  ARG  49           1HG      ARG  49  13.575   5.572  14.902
  328    HD2  ARG  49           2HD      ARG  49  11.099   5.505  13.183
  329    HD3  ARG  49           1HD      ARG  49  11.236   5.279  14.927
  330    HE   ARG  49           HE       ARG  49  11.149   7.859  13.523
  331   HH11  ARG  49          1HH1      ARG  49   9.856   6.857  16.184
  332   HH12  ARG  49          2HH1      ARG  49  10.676   7.882  17.314
  333   HH21  ARG  49          1HH2      ARG  49  13.119   8.863  15.058
  334   HH22  ARG  49          2HH2      ARG  49  12.522   9.016  16.677
  335    H    GLY  50           H        GLY  50  17.257   6.415  12.172
  336    HA2  GLY  50           2HA      GLY  50  18.321   5.451  14.399
  337    HA3  GLY  50           1HA      GLY  50  17.763   3.926  13.711
  338    H    ASP  51           H        ASP  51  19.275   2.874  12.533
  339    HA   ASP  51           HA       ASP  51  21.106   4.400  10.786
  340    HB2  ASP  51           2HB      ASP  51  21.889   3.309  13.356
  341    HB3  ASP  51           1HB      ASP  51  22.785   2.531  12.050
  342    H    TRP  52           H        TRP  52  18.980   2.667  10.129
  343    HA   TRP  52           HA       TRP  52  20.494   0.369   8.962
  344    HB2  TRP  52           2HB      TRP  52  18.000  -0.668   9.108
  345    HB3  TRP  52           1HB      TRP  52  19.191  -0.871  10.391
  346    HD1  TRP  52           HD       TRP  52  16.359   1.555   9.403
  347    HE1  TRP  52           1HE      TRP  52  15.293   2.482  11.562
  348    HE3  TRP  52           3HE      TRP  52  19.397  -0.614  12.880
  349    HZ2  TRP  52           2HZ      TRP  52  15.685   2.324  14.391
  350    HZ3  TRP  52           3HZ      TRP  52  19.035  -0.209  15.299
  351    HH2  TRP  52           HH       TRP  52  17.184   1.256  16.058
  352    H    ASN  53           H        ASN  53  18.446  -0.607   7.316
  353    HA   ASN  53           HA       ASN  53  18.455   1.428   5.223
  354    HB2  ASN  53           2HB      ASN  53  18.524  -1.266   5.138
  355    HB3  ASN  53           1HB      ASN  53  16.791  -1.020   4.921
  356   HD21  ASN  53          1HD2      ASN  53  18.167  -2.056   2.743
  357   HD22  ASN  53          2HD2      ASN  53  18.331  -0.877   1.534
  358    H    ASP  54           H        ASP  54  16.451   2.108   4.108
  359    HA   ASP  54           HA       ASP  54  14.465   3.083   5.967
  360    HB2  ASP  54           2HB      ASP  54  14.380   2.979   2.934
  361    HB3  ASP  54           1HB      ASP  54  13.360   3.980   3.966
  362    H    ASP  55           H        ASP  55  12.304   2.452   3.773
  363    HA   ASP  55           HA       ASP  55  11.715  -0.310   4.758
  364    HB2  ASP  55           2HB      ASP  55  10.086   2.159   4.756
  365    HB3  ASP  55           1HB      ASP  55   9.249   0.710   4.204
  366    H    ARG  56           H        ARG  56  11.853  -1.686   3.085
  367    HA   ARG  56           HA       ARG  56  11.440  -0.767   0.301
  368    HB2  ARG  56           2HB      ARG  56  12.820  -2.943   1.678
  369    HB3  ARG  56           1HB      ARG  56  11.902  -3.514   0.291
  370    HG2  ARG  56           2HG      ARG  56  13.846  -2.895  -0.799
  371    HG3  ARG  56           1HG      ARG  56  12.995  -1.353  -0.844
  372    HD2  ARG  56           2HD      ARG  56  15.453  -1.393  -0.021
  373    HD3  ARG  56           1HD      ARG  56  14.263  -0.458   0.868
  374    HE   ARG  56           HE       ARG  56  14.978  -3.217   1.751
  375   HH11  ARG  56          1HH2      ARG  56  15.503   0.108   2.199
  376   HH12  ARG  56          2HH2      ARG  56  15.390   0.053   3.926
  377   HH21  ARG  56          1HH1      ARG  56  14.445  -3.280   4.024
  378   HH22  ARG  56          2HH1      ARG  56  14.792  -1.864   4.959
  379    H    CYS  57           H        CYS  57   9.576  -1.102  -0.811
  380    HA   CYS  57           HA       CYS  57   7.268  -2.249   0.513
  381    HB2  CYS  57           2HB      CYS  57   7.795  -0.806  -1.961
  382    HB3  CYS  57           1HB      CYS  57   6.677  -2.140  -2.216
  383    H    THR  58           H        THR  58   6.179  -4.175   0.013
  384    HA   THR  58           HA       THR  58   7.822  -6.418  -0.722
  385    HB   THR  58           HB       THR  58   5.014  -6.996  -1.006
  386    HG1  THR  58           1HG      THR  58   4.320  -6.224   0.975
  387   HG21  THR  58          3HG2      THR  58   5.940  -7.889   1.484
  388   HG22  THR  58          1HG2      THR  58   7.365  -7.879   0.445
  389   HG23  THR  58          2HG2      THR  58   5.936  -8.800  -0.026
  390    H    GLY  59           H        GLY  59   6.061  -4.113  -2.540
  391    HA2  GLY  59           2HA      GLY  59   6.206  -3.898  -4.921
  392    HA3  GLY  59           1HA      GLY  59   6.695  -5.589  -5.022
  393    H    GLN  60           H        GLN  60   4.689  -6.902  -3.703
  394    HA   GLN  60           HA       GLN  60   2.390  -6.407  -5.510
  395    HB2  GLN  60           2HB      GLN  60   3.022  -8.738  -3.674
  396    HB3  GLN  60           1HB      GLN  60   1.637  -8.652  -4.762
  397    HG2  GLN  60           2HG      GLN  60   2.891  -9.174  -6.572
  398    HG3  GLN  60           1HG      GLN  60   4.175  -8.058  -6.101
  399   HE21  GLN  60          1HE2      GLN  60   5.571  -8.888  -4.170
  400   HE22  GLN  60          2HE2      GLN  60   5.920 -10.550  -4.143
  401    H    SER  61           H        SER  61   3.266  -5.247  -2.603
  402    HA   SER  61           HA       SER  61   0.470  -5.403  -1.539
  403    HB2  SER  61           2HB      SER  61   1.843  -6.440   0.082
  404    HB3  SER  61           1HB      SER  61   3.134  -5.260  -0.130
  405    HG   SER  61           HG       SER  61   1.830  -4.933   1.771
  406    H    ALA  62           H        ALA  62  -0.612  -3.504  -1.513
  407    HA   ALA  62           HA       ALA  62   0.551  -1.034  -2.429
  408    HB1  ALA  62           1HB      ALA  62  -1.818  -0.682  -0.760
  409    HB2  ALA  62           2HB      ALA  62  -2.035  -1.999  -1.911
  410    HB3  ALA  62           3HB      ALA  62  -1.622  -0.386  -2.486
  411    H    ASP  63           H        ASP  63  -0.158  -2.350   0.788
  412    HA   ASP  63           HA       ASP  63   0.763   0.079   2.132
  413    HB2  ASP  63           2HB      ASP  63   0.291  -2.702   3.257
  414    HB3  ASP  63           1HB      ASP  63   0.486  -1.220   4.194
  415    H    CYS  64           H        CYS  64   2.528  -0.670   4.034
  416    HA   CYS  64           HA       CYS  64   4.710  -2.052   2.544
  417    HB2  CYS  64           2HB      CYS  64   5.173   0.286   2.341
  418    HB3  CYS  64           1HB      CYS  64   4.876   0.567   4.051
  419    HA   PRO  65           HA       PRO  65   5.050  -4.325   6.261
  420    HB2  PRO  65           2HB      PRO  65   7.290  -5.695   5.494
  421    HB3  PRO  65           1HB      PRO  65   5.674  -6.094   4.911
  422    HG2  PRO  65           2HG      PRO  65   7.924  -4.763   3.495
  423    HG3  PRO  65           1HG      PRO  65   6.566  -5.686   2.830
  424    HD2  PRO  65           2HD      PRO  65   6.801  -2.870   2.875
  425    HD3  PRO  65           1HD      PRO  65   5.333  -3.797   2.504
  426    H    ARG  66           H        ARG  66   7.012  -4.868   7.820
  427    HA   ARG  66           HA       ARG  66   8.882  -2.537   7.884
  428    HB2  ARG  66           2HB      ARG  66   8.655  -2.591  10.389
  429    HB3  ARG  66           1HB      ARG  66   7.178  -2.108   9.555
  430    HG2  ARG  66           2HG      ARG  66   7.503  -5.021  10.027
  431    HG3  ARG  66           1HG      ARG  66   7.235  -4.032  11.462
  432    HD2  ARG  66           2HD      ARG  66   5.298  -2.958  10.140
  433    HD3  ARG  66           1HD      ARG  66   5.461  -4.325   9.037
  434    HE   ARG  66           HE       ARG  66   4.472  -5.693  10.685
  435   HH11  ARG  66          1HH1      ARG  66   4.347  -2.524  11.717
  436   HH12  ARG  66          2HH1      ARG  66   4.231  -2.883  13.407
  437   HH21  ARG  66          1HH2      ARG  66   4.880  -6.262  13.005
  438   HH22  ARG  66          2HH2      ARG  66   4.532  -4.998  14.135
  439    H    ASN  67           H        ASN  67  10.772  -3.013   9.415
  440    HA   ASN  67           HA       ASN  67  11.881  -5.626   8.697
  441    HB2  ASN  67           2HB      ASN  67  12.878  -3.072   9.780
  442    HB3  ASN  67           1HB      ASN  67  13.678  -4.495  10.447
  443   HD21  ASN  67          1HD2      ASN  67  15.634  -3.773   9.184
  444   HD22  ASN  67          2HD2      ASN  67  15.725  -4.127   7.527
  445    HA   PRO  68           HA       PRO  68  11.081  -7.647  12.524
  446    HB2  PRO  68           2HB      PRO  68  13.316  -9.232  12.724
  447    HB3  PRO  68           1HB      PRO  68  12.009  -9.533  11.568
  448    HG2  PRO  68           2HG      PRO  68  14.738  -8.462  11.067
  449    HG3  PRO  68           1HG      PRO  68  13.644  -9.306   9.959
  450    HD2  PRO  68           2HD      PRO  68  14.113  -6.499  10.061
  451    HD3  PRO  68           1HD      PRO  68  12.849  -7.327   9.127
  452    H    TRP  69           H        TRP  69  12.284  -5.027  12.892
  453    HA   TRP  69           HA       TRP  69  13.854  -5.568  15.363
  454    HB2  TRP  69           2HB      TRP  69  14.471  -3.444  13.284
  455    HB3  TRP  69           1HB      TRP  69  15.332  -3.669  14.807
  456    HD1  TRP  69           HD       TRP  69  15.950  -4.328  11.419
  457    HE1  TRP  69           1HE      TRP  69  17.341  -6.462  11.024
  458    HE3  TRP  69           3HE      TRP  69  15.365  -6.596  15.944
  459    HZ2  TRP  69           2HZ      TRP  69  18.102  -8.828  12.446
  460    HZ3  TRP  69           3HZ      TRP  69  16.430  -8.790  16.404
  461    HH2  TRP  69           HH       TRP  69  17.797  -9.907  14.661
  462    H    ASN  70           H        ASN  70  13.335  -2.339  14.144
  463    HA   ASN  70           HA       ASN  70  12.070  -1.407  16.494
  464    HB2  ASN  70           2HB      ASN  70  11.602   0.604  15.277
  465    HB3  ASN  70           1HB      ASN  70  13.121  -0.017  14.629
  466   HD21  ASN  70          1HD2      ASN  70  13.023  -1.147  12.506
  467   HD22  ASN  70          2HD2      ASN  70  11.733  -0.848  11.443
  468    H    GLY  71           H        GLY  71   9.989  -1.563  17.218
  469    HA2  GLY  71           2HA      GLY  71   7.970  -2.693  15.323
  470    HA3  GLY  71           1HA      GLY  71   7.952  -2.978  17.064
  Start of MODEL    9
    1    H    GLY   1           1HT      GLY   1 -13.975 -10.791   5.492
    2    HA2  GLY   1           1HA      GLY   1 -14.404  -8.726   4.823
    3    HA3  GLY   1           2HA      GLY   1 -12.908  -8.304   5.656
    4    H    LYS   2           H        LYS   2 -14.348  -9.001   2.527
    5    HA   LYS   2           HA       LYS   2 -12.027  -7.654   1.246
    6    HB2  LYS   2           2HB      LYS   2 -11.753 -10.166   1.093
    7    HB3  LYS   2           1HB      LYS   2 -13.244 -10.205   0.151
    8    HG2  LYS   2           2HG      LYS   2 -12.244  -9.344  -1.704
    9    HG3  LYS   2           1HG      LYS   2 -11.256  -8.221  -0.768
   10    HD2  LYS   2           2HD      LYS   2 -10.203 -10.652  -0.029
   11    HD3  LYS   2           1HD      LYS   2 -10.619 -10.934  -1.719
   12    HE2  LYS   2           2HE      LYS   2  -9.361  -8.324  -1.267
   13    HE3  LYS   2           1HE      LYS   2  -8.320  -9.680  -0.829
   14    HZ1  LYS   2           3HZ      LYS   2  -8.846 -10.660  -3.024
   15    HZ2  LYS   2           1HZ      LYS   2  -7.999  -9.195  -3.125
   16    HZ3  LYS   2           2HZ      LYS   2  -9.669  -9.230  -3.435
   17    H    GLU   3           H        GLU   3 -14.659  -6.649   1.826
   18    HA   GLU   3           HA       GLU   3 -15.863  -6.551  -0.912
   19    HB2  GLU   3           2HB      GLU   3 -17.372  -7.390   0.881
   20    HB3  GLU   3           1HB      GLU   3 -17.147  -5.872   1.752
   21    HG2  GLU   3           2HG      GLU   3 -18.659  -4.818   0.455
   22    HG3  GLU   3           1HG      GLU   3 -17.868  -5.381  -1.018
   23    H    CYS   4           H        CYS   4 -14.193  -4.750   1.467
   24    HA   CYS   4           HA       CYS   4 -14.781  -2.233  -0.050
   25    HB2  CYS   4           2HB      CYS   4 -14.381  -2.650   2.925
   26    HB3  CYS   4           1HB      CYS   4 -14.291  -1.064   2.167
   27    H    ASP   5           H        ASP   5 -12.946  -2.405  -1.354
   28    HA   ASP   5           HA       ASP   5 -10.327  -3.083  -0.356
   29    HB2  ASP   5           2HB      ASP   5 -11.039  -3.260  -2.757
   30    HB3  ASP   5           1HB      ASP   5 -11.033  -1.498  -2.843
   31    H    CYS   6           H        CYS   6 -12.176  -0.131  -0.465
   32    HA   CYS   6           HA       CYS   6  -9.784   1.327   0.592
   33    HB2  CYS   6           2HB      CYS   6 -10.572   3.337  -0.492
   34    HB3  CYS   6           1HB      CYS   6 -10.544   2.058  -1.704
   35    H    SER   7           H        SER   7 -10.606   3.365   1.882
   36    HA   SER   7           HA       SER   7 -12.907   2.469   3.571
   37    HB2  SER   7           2HB      SER   7 -10.290   2.902   4.357
   38    HB3  SER   7           1HB      SER   7 -11.079   4.420   4.777
   39    HG   SER   7           HG       SER   7 -12.121   3.418   6.303
   40    H    SER   8           H        SER   8 -11.700   4.946   1.525
   41    HA   SER   8           HA       SER   8 -13.615   6.925   2.651
   42    HB2  SER   8           2HB      SER   8 -11.075   7.094   1.209
   43    HB3  SER   8           1HB      SER   8 -12.310   8.150   0.530
   44    HG   SER   8           HG       SER   8 -11.976   9.391   2.181
   45    HA   PRO   9           HA       PRO   9 -16.346   5.896  -0.699
   46    HB2  PRO   9           2HB      PRO   9 -18.206   7.846  -0.160
   47    HB3  PRO   9           1HB      PRO   9 -18.076   6.338   0.762
   48    HG2  PRO   9           2HG      PRO   9 -17.242   9.094   1.542
   49    HG3  PRO   9           1HG      PRO   9 -17.723   7.734   2.570
   50    HD2  PRO   9           2HD      PRO   9 -15.069   8.593   2.090
   51    HD3  PRO   9           1HD      PRO   9 -15.550   7.054   2.836
   52    H    GLU  10           H        GLU  10 -14.833   8.992  -0.198
   53    HA   GLU  10           HA       GLU  10 -15.727  10.022  -2.824
   54    HB2  GLU  10           2HB      GLU  10 -14.601  11.159  -0.376
   55    HB3  GLU  10           1HB      GLU  10 -13.811  11.774  -1.828
   56    HG2  GLU  10           2HG      GLU  10 -15.786  13.145  -1.194
   57    HG3  GLU  10           1HG      GLU  10 -15.982  12.396  -2.780
   58    H    ASN  11           H        ASN  11 -14.146   7.643  -2.895
   59    HA   ASN  11           HA       ASN  11 -11.524   8.652  -3.898
   60    HB2  ASN  11           2HB      ASN  11 -11.434   6.909  -2.131
   61    HB3  ASN  11           1HB      ASN  11 -12.348   5.826  -3.180
   62   HD21  ASN  11          1HD2      ASN  11  -9.638   5.278  -2.253
   63   HD22  ASN  11          2HD2      ASN  11  -8.635   5.244  -3.623
   64    HA   PRO  12           HA       PRO  12 -13.268   7.746  -7.905
   65    HB2  PRO  12           2HB      PRO  12 -11.088   8.622  -9.333
   66    HB3  PRO  12           1HB      PRO  12 -12.305   9.707  -8.637
   67    HG2  PRO  12           2HG      PRO  12  -9.523   9.168  -7.712
   68    HG3  PRO  12           1HG      PRO  12 -10.524  10.609  -7.474
   69    HD2  PRO  12           2HD      PRO  12 -10.040   8.582  -5.553
   70    HD3  PRO  12           1HD      PRO  12 -11.272   9.857  -5.443
   71    H    CYS  13           H        CYS  13 -11.055   5.991  -6.259
   72    HA   CYS  13           HA       CYS  13 -10.265   4.357  -8.631
   73    HB2  CYS  13           2HB      CYS  13  -8.523   5.332  -6.937
   74    HB3  CYS  13           1HB      CYS  13  -9.064   4.016  -5.893
   75    H    CYS  14           H        CYS  14 -11.947   4.295  -5.549
   76    HA   CYS  14           HA       CYS  14 -12.612   1.421  -6.070
   77    HB2  CYS  14           2HB      CYS  14 -12.831   1.103  -3.690
   78    HB3  CYS  14           1HB      CYS  14 -11.285   1.906  -3.970
   79    H    ASP  15           H        ASP  15 -14.724   0.973  -6.395
   80    HA   ASP  15           HA       ASP  15 -16.703   2.991  -6.697
   81    HB2  ASP  15           2HB      ASP  15 -16.609   0.453  -7.473
   82    HB3  ASP  15           1HB      ASP  15 -17.488   0.197  -5.961
   83    H    ALA  16           H        ALA  16 -17.956   4.012  -5.192
   84    HA   ALA  16           HA       ALA  16 -17.532   3.616  -2.382
   85    HB1  ALA  16           1HB      ALA  16 -18.365   5.721  -2.617
   86    HB2  ALA  16           2HB      ALA  16 -19.937   4.929  -2.515
   87    HB3  ALA  16           3HB      ALA  16 -19.242   5.308  -4.091
   88    H    ALA  17           H        ALA  17 -20.015   2.475  -4.638
   89    HA   ALA  17           HA       ALA  17 -21.822   1.393  -2.725
   90    HB1  ALA  17           1HB      ALA  17 -21.750   1.520  -5.464
   91    HB2  ALA  17           2HB      ALA  17 -22.915   0.566  -4.544
   92    HB3  ALA  17           3HB      ALA  17 -21.462  -0.198  -5.186
   93    H    THR  18           H        THR  18 -19.399  -0.437  -4.643
   94    HA   THR  18           HA       THR  18 -19.440  -2.538  -2.558
   95    HB   THR  18           HB       THR  18 -19.527  -3.395  -4.795
   96    HG1  THR  18           1HG      THR  18 -18.025  -4.405  -3.334
   97   HG21  THR  18          3HG2      THR  18 -17.211  -1.517  -5.289
   98   HG22  THR  18          1HG2      THR  18 -18.788  -1.520  -6.078
   99   HG23  THR  18          2HG2      THR  18 -17.637  -2.816  -6.403
  100    H    CYS  19           H        CYS  19 -18.061   0.272  -2.520
  101    HA   CYS  19           HA       CYS  19 -15.929   1.166  -1.954
  102    HB2  CYS  19           2HB      CYS  19 -15.074  -0.230   0.141
  103    HB3  CYS  19           1HB      CYS  19 -16.472   0.820   0.256
  104    H    LYS  20           H        LYS  20 -15.678  -0.793  -4.089
  105    HA   LYS  20           HA       LYS  20 -12.942  -1.784  -3.395
  106    HB2  LYS  20           2HB      LYS  20 -15.076  -3.238  -4.980
  107    HB3  LYS  20           1HB      LYS  20 -13.397  -3.767  -4.850
  108    HG2  LYS  20           2HG      LYS  20 -14.392  -3.210  -2.217
  109    HG3  LYS  20           1HG      LYS  20 -15.532  -4.277  -3.038
  110    HD2  LYS  20           2HD      LYS  20 -12.559  -4.803  -3.086
  111    HD3  LYS  20           1HD      LYS  20 -13.583  -5.399  -1.780
  112    HE2  LYS  20           2HE      LYS  20 -14.716  -6.877  -3.152
  113    HE3  LYS  20           1HE      LYS  20 -14.468  -5.891  -4.593
  114    HZ1  LYS  20           3HZ      LYS  20 -12.735  -7.151  -5.089
  115    HZ2  LYS  20           1HZ      LYS  20 -12.930  -8.052  -3.665
  116    HZ3  LYS  20           2HZ      LYS  20 -11.960  -6.658  -3.660
  117    H    LEU  21           H        LEU  21 -11.606  -2.171  -5.419
  118    HA   LEU  21           HA       LEU  21 -11.569   0.171  -7.029
  119    HB2  LEU  21           2HB      LEU  21 -10.341  -2.558  -7.511
  120    HB3  LEU  21           1HB      LEU  21  -9.978  -1.127  -8.477
  121    HG   LEU  21           HG       LEU  21  -9.776  -0.600  -5.612
  122   HD11  LEU  21          1HD1      LEU  21  -9.101  -3.060  -5.780
  123   HD12  LEU  21          2HD1      LEU  21  -7.884  -1.974  -5.106
  124   HD13  LEU  21          3HD1      LEU  21  -7.749  -2.522  -6.777
  125   HD21  LEU  21          3HD2      LEU  21  -8.094   0.770  -6.338
  126   HD22  LEU  21          1HD2      LEU  21  -8.817   0.480  -7.920
  127   HD23  LEU  21          2HD2      LEU  21  -7.417  -0.460  -7.405
  128    H    ARG  22           H        ARG  22 -13.017   0.738  -8.534
  129    HA   ARG  22           HA       ARG  22 -14.819  -1.216  -9.736
  130    HB2  ARG  22           2HB      ARG  22 -14.978   1.485  -9.201
  131    HB3  ARG  22           1HB      ARG  22 -14.742   1.458 -10.949
  132    HG2  ARG  22           2HG      ARG  22 -16.567  -0.556 -10.627
  133    HG3  ARG  22           1HG      ARG  22 -17.056   0.568  -9.356
  134    HD2  ARG  22           2HD      ARG  22 -17.479   2.303 -10.874
  135    HD3  ARG  22           1HD      ARG  22 -16.459   1.589 -12.122
  136    HE   ARG  22           HE       ARG  22 -19.214   1.170 -11.994
  137   HH11  ARG  22          1HH2      ARG  22 -17.663  -0.037 -14.175
  138   HH12  ARG  22          2HH2      ARG  22 -17.804  -1.736 -13.870
  139   HH21  ARG  22          1HH1      ARG  22 -18.838  -1.329 -10.585
  140   HH22  ARG  22          2HH1      ARG  22 -18.469  -2.468 -11.836
  141    HA   PRO  23           HA       PRO  23 -12.358  -0.053 -13.659
  142    HB2  PRO  23           2HB      PRO  23 -10.121   1.511 -13.342
  143    HB3  PRO  23           1HB      PRO  23 -11.742   2.166 -13.630
  144    HG2  PRO  23           2HG      PRO  23 -10.157   2.130 -11.108
  145    HG3  PRO  23           1HG      PRO  23 -11.445   3.239 -11.608
  146    HD2  PRO  23           2HD      PRO  23 -11.704   1.068  -9.798
  147    HD3  PRO  23           1HD      PRO  23 -13.034   2.007 -10.512
  148    H    GLY  24           H        GLY  24  -9.828  -0.385 -14.428
  149    HA2  GLY  24           2HA      GLY  24  -9.029  -2.898 -13.171
  150    HA3  GLY  24           1HA      GLY  24  -8.252  -2.142 -14.561
  151    H    ALA  25           H        ALA  25  -8.802  -1.195 -11.151
  152    HA   ALA  25           HA       ALA  25  -5.945  -0.328 -11.054
  153    HB1  ALA  25           1HB      ALA  25  -7.096   1.557 -10.399
  154    HB2  ALA  25           2HB      ALA  25  -6.981   0.759  -8.831
  155    HB3  ALA  25           3HB      ALA  25  -8.463   0.633  -9.776
  156    H    GLN  26           H        GLN  26  -4.570  -1.266  -9.520
  157    HA   GLN  26           HA       GLN  26  -5.489  -3.731  -8.296
  158    HB2  GLN  26           2HB      GLN  26  -3.203  -3.966  -7.531
  159    HB3  GLN  26           1HB      GLN  26  -3.189  -3.393  -9.199
  160    HG2  GLN  26           2HG      GLN  26  -1.753  -1.853  -8.351
  161    HG3  GLN  26           1HG      GLN  26  -3.238  -1.024  -7.912
  162   HE21  GLN  26          1HE2      GLN  26  -0.978  -0.550  -6.302
  163   HE22  GLN  26          2HE2      GLN  26  -1.170  -1.324  -4.808
  164    H    CYS  27           H        CYS  27  -4.767  -0.451  -7.088
  165    HA   CYS  27           HA       CYS  27  -6.237  -1.175  -4.633
  166    HB2  CYS  27           2HB      CYS  27  -4.484  -1.129  -3.220
  167    HB3  CYS  27           1HB      CYS  27  -3.433  -1.109  -4.615
  168    H    GLY  28           H        GLY  28  -6.971   0.739  -3.439
  169    HA2  GLY  28           2HA      GLY  28  -7.346   3.055  -5.258
  170    HA3  GLY  28           1HA      GLY  28  -8.306   2.723  -3.819
  171    H    GLU  29           H        GLU  29  -5.968   2.120  -2.186
  172    HA   GLU  29           HA       GLU  29  -4.431   4.638  -2.167
  173    HB2  GLU  29           2HB      GLU  29  -5.097   5.282   0.017
  174    HB3  GLU  29           1HB      GLU  29  -6.595   4.914  -0.824
  175    HG2  GLU  29           2HG      GLU  29  -7.062   3.518   0.888
  176    HG3  GLU  29           1HG      GLU  29  -5.825   2.457   0.214
  177    H    GLY  30           H        GLY  30  -2.537   4.473  -0.723
  178    HA2  GLY  30           2HA      GLY  30  -1.761   2.443   0.955
  179    HA3  GLY  30           1HA      GLY  30  -1.506   1.733  -0.636
  180    H    LEU  31           H        LEU  31   0.712   2.088   0.966
  181    HA   LEU  31           HA       LEU  31   1.998   4.647   0.529
  182    HB2  LEU  31           2HB      LEU  31   2.585   2.209   1.925
  183    HB3  LEU  31           1HB      LEU  31   3.954   2.607   0.891
  184    HG   LEU  31           HG       LEU  31   4.319   3.730   2.982
  185   HD11  LEU  31          1HD1      LEU  31   4.779   5.806   2.124
  186   HD12  LEU  31          2HD1      LEU  31   3.148   6.019   1.489
  187   HD13  LEU  31          3HD1      LEU  31   4.313   5.029   0.612
  188   HD21  LEU  31          3HD2      LEU  31   2.270   3.791   4.097
  189   HD22  LEU  31          1HD2      LEU  31   1.408   4.410   2.689
  190   HD23  LEU  31          2HD2      LEU  31   2.451   5.480   3.624
  191    H    CYS  32           H        CYS  32   2.185   1.460  -1.053
  192    HA   CYS  32           HA       CYS  32   3.772   2.754  -3.222
  193    HB2  CYS  32           2HB      CYS  32   3.615  -0.050  -2.175
  194    HB3  CYS  32           1HB      CYS  32   4.108   0.226  -3.847
  195    H    CYS  33           H        CYS  33   1.417   3.585  -3.679
  196    HA   CYS  33           HA       CYS  33   0.234   1.713  -5.686
  197    HB2  CYS  33           2HB      CYS  33  -1.112   3.264  -3.504
  198    HB3  CYS  33           1HB      CYS  33  -1.961   3.063  -5.035
  199    H    GLU  34           H        GLU  34   1.363   2.821  -7.362
  200    HA   GLU  34           HA       GLU  34   0.912   5.734  -7.636
  201    HB2  GLU  34           2HB      GLU  34   2.575   3.835  -9.322
  202    HB3  GLU  34           1HB      GLU  34   2.555   5.593  -9.460
  203    HG2  GLU  34           2HG      GLU  34   3.638   5.898  -7.403
  204    HG3  GLU  34           1HG      GLU  34   3.194   4.292  -6.824
  205    H    GLN  35           H        GLN  35  -0.782   6.417  -8.826
  206    HA   GLN  35           HA       GLN  35  -2.490   6.424 -10.424
  207    HB2  GLN  35           2HB      GLN  35  -0.219   5.674 -11.769
  208    HB3  GLN  35           1HB      GLN  35  -1.291   4.313 -12.100
  209    HG2  GLN  35           2HG      GLN  35  -2.008   5.684 -13.793
  210    HG3  GLN  35           1HG      GLN  35  -3.023   6.342 -12.510
  211   HE21  GLN  35          1HE2      GLN  35  -2.295   8.023 -14.654
  212   HE22  GLN  35          2HE2      GLN  35  -1.196   9.192 -14.104
  213    H    CYS  36           H        CYS  36  -2.577   4.607  -8.171
  214    HA   CYS  36           HA       CYS  36  -3.926   2.857  -7.401
  215    HB2  CYS  36           2HB      CYS  36  -5.127   3.399 -10.113
  216    HB3  CYS  36           1HB      CYS  36  -5.701   2.066  -9.113
  217    H    LYS  37           H        LYS  37  -1.361   2.357  -8.776
  218    HA   LYS  37           HA       LYS  37  -1.901  -0.447  -9.666
  219    HB2  LYS  37           2HB      LYS  37   0.109   1.571 -10.695
  220    HB3  LYS  37           1HB      LYS  37   0.281  -0.160 -10.989
  221    HG2  LYS  37           2HG      LYS  37  -2.162   1.479 -11.722
  222    HG3  LYS  37           1HG      LYS  37  -0.894   1.006 -12.854
  223    HD2  LYS  37           2HD      LYS  37  -1.509  -1.398 -11.680
  224    HD3  LYS  37           1HD      LYS  37  -3.083  -0.602 -11.707
  225    HE2  LYS  37           2HE      LYS  37  -1.291  -0.682 -14.138
  226    HE3  LYS  37           1HE      LYS  37  -2.452  -1.963 -13.790
  227    HZ1  LYS  37           3HZ      LYS  37  -4.102  -0.028 -13.552
  228    HZ2  LYS  37           1HZ      LYS  37  -3.649  -0.519 -15.111
  229    HZ3  LYS  37           2HZ      LYS  37  -2.954   0.871 -14.422
  230    H    PHE  38           H        PHE  38  -0.064  -1.930  -9.177
  231    HA   PHE  38           HA       PHE  38   0.896  -1.474  -6.460
  232    HB2  PHE  38           2HB      PHE  38   0.962  -3.703  -8.446
  233    HB3  PHE  38           1HB      PHE  38   2.173  -3.719  -7.169
  234    HD1  PHE  38           2HD      PHE  38   0.695  -2.576  -4.875
  235    HD2  PHE  38           1HD      PHE  38  -0.591  -5.362  -7.885
  236    HE1  PHE  38           2HE      PHE  38  -0.971  -3.521  -3.301
  237    HE2  PHE  38           1HE      PHE  38  -2.249  -6.305  -6.305
  238    HZ   PHE  38           HZ       PHE  38  -2.440  -5.384  -4.012
  239    H    SER  39           H        SER  39   2.794  -0.433  -6.006
  240    HA   SER  39           HA       SER  39   4.608   0.431  -8.051
  241    HB2  SER  39           2HB      SER  39   5.416   0.059  -5.168
  242    HB3  SER  39           1HB      SER  39   5.928   1.308  -6.299
  243    HG   SER  39           HG       SER  39   3.467   1.723  -6.265
  244    H    ARG  40           H        ARG  40   6.961  -0.620  -6.203
  245    HA   ARG  40           HA       ARG  40   6.924  -3.432  -7.155
  246    HB2  ARG  40           2HB      ARG  40   9.117  -3.246  -8.169
  247    HB3  ARG  40           1HB      ARG  40   8.094  -1.991  -8.866
  248    HG2  ARG  40           2HG      ARG  40   9.434  -0.361  -8.078
  249    HG3  ARG  40           1HG      ARG  40   9.392  -1.040  -6.450
  250    HD2  ARG  40           2HD      ARG  40  11.615  -1.412  -6.853
  251    HD3  ARG  40           1HD      ARG  40  10.998  -2.853  -7.663
  252    HE   ARG  40           HE       ARG  40  11.890  -1.922  -9.623
  253   HH11  ARG  40          1HH2      ARG  40   9.712   0.061  -9.918
  254   HH12  ARG  40          2HH2      ARG  40  10.564   1.569  -9.919
  255   HH21  ARG  40          1HH1      ARG  40  13.469   0.233  -8.578
  256   HH22  ARG  40          2HH1      ARG  40  12.689   1.666  -9.159
  257    H    ALA  41           H        ALA  41   8.444  -4.783  -5.966
  258    HA   ALA  41           HA       ALA  41   8.716  -4.014  -3.201
  259    HB1  ALA  41           1HB      ALA  41   8.866  -6.413  -4.679
  260    HB2  ALA  41           2HB      ALA  41   9.014  -6.238  -2.930
  261    HB3  ALA  41           3HB      ALA  41  10.457  -6.211  -3.945
  262    H    GLY  42           H        GLY  42  10.954  -4.094  -2.095
  263    HA2  GLY  42           2HA      GLY  42  13.156  -3.230  -1.976
  264    HA3  GLY  42           1HA      GLY  42  13.259  -3.433  -3.726
  265    H    LYS  43           H        LYS  43  10.579  -1.762  -2.264
  266    HA   LYS  43           HA       LYS  43  11.654   0.789  -3.436
  267    HB2  LYS  43           2HB      LYS  43   9.712   0.469  -4.643
  268    HB3  LYS  43           1HB      LYS  43   8.928  -0.434  -3.353
  269    HG2  LYS  43           2HG      LYS  43   7.812   1.717  -3.590
  270    HG3  LYS  43           1HG      LYS  43   8.701   1.715  -2.067
  271    HD2  LYS  43           2HD      LYS  43   9.720   3.602  -2.764
  272    HD3  LYS  43           1HD      LYS  43  10.549   2.620  -3.974
  273    HE2  LYS  43           2HE      LYS  43   9.406   4.468  -5.087
  274    HE3  LYS  43           1HE      LYS  43   8.612   2.950  -5.514
  275    HZ1  LYS  43           3HZ      LYS  43   7.683   5.109  -3.756
  276    HZ2  LYS  43           1HZ      LYS  43   7.177   3.523  -3.432
  277    HZ3  LYS  43           2HZ      LYS  43   6.830   4.232  -4.937
  278    H    ILE  44           H        ILE  44  11.963   2.475  -2.060
  279    HA   ILE  44           HA       ILE  44  11.771   2.050   0.764
  280    HB   ILE  44           HB       ILE  44  13.416   3.575  -0.304
  281   HG12  ILE  44          2HG1      ILE  44  13.311   5.302   1.376
  282   HG13  ILE  44          1HG1      ILE  44  11.570   5.083   1.567
  283   HG21  ILE  44          1HG2      ILE  44  11.722   5.880  -0.528
  284   HG22  ILE  44          2HG2      ILE  44  11.068   4.582  -1.528
  285   HG23  ILE  44          3HG2      ILE  44  12.728   5.130  -1.767
  286   HD11  ILE  44          3HD1      ILE  44  11.830   3.295   2.925
  287   HD12  ILE  44          1HD1      ILE  44  13.491   3.856   3.108
  288   HD13  ILE  44          2HD1      ILE  44  13.108   2.612   1.919
  289    H    CYS  45           H        CYS  45   9.453   1.516   1.047
  290    HA   CYS  45           HA       CYS  45   7.272   3.126   0.303
  291    HB2  CYS  45           2HB      CYS  45   6.299   2.342   2.600
  292    HB3  CYS  45           1HB      CYS  45   6.575   1.184   1.306
  293    H    ARG  46           H        ARG  46   9.529   3.569   2.973
  294    HA   ARG  46           HA       ARG  46   8.778   6.389   3.139
  295    HB2  ARG  46           2HB      ARG  46   7.413   4.552   4.798
  296    HB3  ARG  46           1HB      ARG  46   8.591   5.361   5.833
  297    HG2  ARG  46           2HG      ARG  46   7.759   7.539   5.188
  298    HG3  ARG  46           1HG      ARG  46   6.702   6.825   3.968
  299    HD2  ARG  46           2HD      ARG  46   5.301   5.830   5.611
  300    HD3  ARG  46           1HD      ARG  46   6.484   6.095   6.892
  301    HE   ARG  46           HE       ARG  46   5.577   8.247   7.159
  302   HH11  ARG  46          1HH1      ARG  46   6.266   9.188   4.399
  303   HH12  ARG  46          2HH1      ARG  46   4.707   9.568   3.745
  304   HH21  ARG  46          1HH2      ARG  46   2.969   7.790   6.164
  305   HH22  ARG  46          2HH2      ARG  46   2.840   8.775   4.745
  306    H    ILE  47           H        ILE  47  10.679   7.427   3.467
  307    HA   ILE  47           HA       ILE  47  13.138   6.181   3.944
  308    HB   ILE  47           HB       ILE  47  12.284   8.784   3.510
  309   HG12  ILE  47          2HG1      ILE  47  14.305   7.850   2.588
  310   HG13  ILE  47          1HG1      ILE  47  14.758   9.283   3.512
  311   HG21  ILE  47          1HG2      ILE  47  13.178  10.182   5.253
  312   HG22  ILE  47          2HG2      ILE  47  13.822   8.787   6.119
  313   HG23  ILE  47          3HG2      ILE  47  12.078   9.036   6.023
  314   HD11  ILE  47          3HD1      ILE  47  16.290   7.838   4.417
  315   HD12  ILE  47          1HD1      ILE  47  15.307   6.415   4.074
  316   HD13  ILE  47          2HD1      ILE  47  14.931   7.431   5.465
  317    H    ALA  48           H        ALA  48  14.219   5.504   5.779
  318    HA   ALA  48           HA       ALA  48  12.662   5.100   8.187
  319    HB1  ALA  48           1HB      ALA  48  15.367   4.395   7.210
  320    HB2  ALA  48           2HB      ALA  48  14.190   3.409   8.077
  321    HB3  ALA  48           3HB      ALA  48  15.207   4.546   8.960
  322    H    ARG  49           H        ARG  49  12.211   6.823   9.484
  323    HA   ARG  49           HA       ARG  49  14.424   8.761  10.024
  324    HB2  ARG  49           2HB      ARG  49  11.491   9.327  10.474
  325    HB3  ARG  49           1HB      ARG  49  12.817  10.479  10.318
  326    HG2  ARG  49           2HG      ARG  49  12.648  10.511   8.065
  327    HG3  ARG  49           1HG      ARG  49  12.567   8.753   7.969
  328    HD2  ARG  49           2HD      ARG  49  10.263   8.712   8.077
  329    HD3  ARG  49           1HD      ARG  49  10.178  10.187   9.039
  330    HE   ARG  49           HE       ARG  49  11.103  11.091   6.610
  331   HH11  ARG  49          1HH1      ARG  49   8.310   9.622   7.935
  332   HH12  ARG  49          2HH1      ARG  49   7.341   9.851   6.519
  333   HH21  ARG  49          1HH2      ARG  49   9.933  11.172   4.632
  334   HH22  ARG  49          2HH2      ARG  49   8.258  10.728   4.648
  335    H    GLY  50           H        GLY  50  15.328   7.885  11.884
  336    HA2  GLY  50           2HA      GLY  50  14.628   8.340  14.401
  337    HA3  GLY  50           1HA      GLY  50  13.509   7.025  14.067
  338    H    ASP  51           H        ASP  51  15.121   5.396  12.495
  339    HA   ASP  51           HA       ASP  51  17.740   4.891  13.336
  340    HB2  ASP  51           2HB      ASP  51  15.984   4.522  15.487
  341    HB3  ASP  51           1HB      ASP  51  16.354   2.894  14.918
  342    H    TRP  52           H        TRP  52  14.704   3.083  13.010
  343    HA   TRP  52           HA       TRP  52  15.623   0.704  11.933
  344    HB2  TRP  52           2HB      TRP  52  13.483   0.956  10.366
  345    HB3  TRP  52           1HB      TRP  52  13.318   0.688  12.100
  346    HD1  TRP  52           HD       TRP  52  12.824   3.302   9.401
  347    HE1  TRP  52           1HE      TRP  52  11.579   5.324  10.402
  348    HE3  TRP  52           3HE      TRP  52  12.937   2.050  14.352
  349    HZ2  TRP  52           2HZ      TRP  52  10.737   6.285  12.962
  350    HZ3  TRP  52           3HZ      TRP  52  11.905   3.533  16.047
  351    HH2  TRP  52           HH       TRP  52  10.807   5.647  15.360
  352    H    ASN  53           H        ASN  53  15.524   0.039   9.529
  353    HA   ASN  53           HA       ASN  53  17.243   1.928   8.042
  354    HB2  ASN  53           2HB      ASN  53  16.687  -0.983   7.965
  355    HB3  ASN  53           1HB      ASN  53  17.009  -0.229   6.404
  356   HD21  ASN  53          1HD2      ASN  53  18.908   1.716   7.060
  357   HD22  ASN  53          2HD2      ASN  53  20.301   0.974   7.687
  358    H    ASP  54           H        ASP  54  16.781   2.169   5.648
  359    HA   ASP  54           HA       ASP  54  14.457   3.519   5.065
  360    HB2  ASP  54           2HB      ASP  54  14.813   2.484   2.654
  361    HB3  ASP  54           1HB      ASP  54  16.019   3.575   3.335
  362    H    ASP  55           H        ASP  55  12.309   2.971   4.950
  363    HA   ASP  55           HA       ASP  55  11.485   0.219   5.383
  364    HB2  ASP  55           2HB      ASP  55   9.748   2.543   4.509
  365    HB3  ASP  55           1HB      ASP  55   9.231   1.072   5.335
  366    H    ARG  56           H        ARG  56  11.591  -1.250   3.763
  367    HA   ARG  56           HA       ARG  56  11.469  -0.428   0.944
  368    HB2  ARG  56           2HB      ARG  56  12.876  -2.348   2.218
  369    HB3  ARG  56           1HB      ARG  56  11.480  -3.297   1.713
  370    HG2  ARG  56           2HG      ARG  56  12.307  -3.397  -0.362
  371    HG3  ARG  56           1HG      ARG  56  12.231  -1.638  -0.475
  372    HD2  ARG  56           2HD      ARG  56  14.535  -2.510  -0.856
  373    HD3  ARG  56           1HD      ARG  56  14.445  -1.443   0.545
  374    HE   ARG  56           HE       ARG  56  14.067  -3.946   1.640
  375   HH11  ARG  56          1HH1      ARG  56  16.587  -1.972   0.700
  376   HH12  ARG  56          2HH1      ARG  56  17.801  -3.207   0.698
  377   HH21  ARG  56          1HH2      ARG  56  15.540  -5.800   1.137
  378   HH22  ARG  56          2HH2      ARG  56  17.208  -5.375   0.946
  379    H    CYS  57           H        CYS  57  10.002  -1.394  -0.553
  380    HA   CYS  57           HA       CYS  57   7.320  -1.960   0.617
  381    HB2  CYS  57           2HB      CYS  57   8.265  -0.456  -1.672
  382    HB3  CYS  57           1HB      CYS  57   7.151  -1.715  -2.188
  383    H    THR  58           H        THR  58   6.107  -3.732  -0.350
  384    HA   THR  58           HA       THR  58   7.814  -6.031  -0.995
  385    HB   THR  58           HB       THR  58   5.020  -6.605  -1.285
  386    HG1  THR  58           1HG      THR  58   4.550  -5.966   0.968
  387   HG21  THR  58          3HG2      THR  58   5.577  -8.334   0.096
  388   HG22  THR  58          1HG2      THR  58   6.433  -7.286   1.229
  389   HG23  THR  58          2HG2      THR  58   7.225  -7.809  -0.259
  390    H    GLY  59           H        GLY  59   5.898  -3.701  -2.689
  391    HA2  GLY  59           2HA      GLY  59   6.005  -3.385  -5.071
  392    HA3  GLY  59           1HA      GLY  59   6.584  -5.043  -5.240
  393    H    GLN  60           H        GLN  60   4.816  -6.674  -4.277
  394    HA   GLN  60           HA       GLN  60   2.396  -6.204  -5.868
  395    HB2  GLN  60           2HB      GLN  60   3.043  -8.531  -4.031
  396    HB3  GLN  60           1HB      GLN  60   1.820  -8.494  -5.302
  397    HG2  GLN  60           2HG      GLN  60   3.359  -9.169  -6.794
  398    HG3  GLN  60           1HG      GLN  60   4.303  -7.714  -6.472
  399   HE21  GLN  60          1HE2      GLN  60   6.236  -7.951  -5.278
  400   HE22  GLN  60          2HE2      GLN  60   6.750  -9.417  -4.593
  401    H    SER  61           H        SER  61   3.270  -5.005  -3.004
  402    HA   SER  61           HA       SER  61   0.529  -5.320  -1.839
  403    HB2  SER  61           2HB      SER  61   3.240  -5.203  -0.561
  404    HB3  SER  61           1HB      SER  61   1.847  -4.592   0.326
  405    HG   SER  61           HG       SER  61   0.855  -6.681  -0.241
  406    H    ALA  62           H        ALA  62  -0.575  -3.438  -1.396
  407    HA   ALA  62           HA       ALA  62   0.469  -0.947  -2.486
  408    HB1  ALA  62           1HB      ALA  62  -1.900  -1.321  -2.683
  409    HB2  ALA  62           2HB      ALA  62  -1.694  -0.011  -1.520
  410    HB3  ALA  62           3HB      ALA  62  -2.054  -1.642  -0.956
  411    H    ASP  63           H        ASP  63  -0.415  -2.061   0.798
  412    HA   ASP  63           HA       ASP  63   0.805   0.321   1.998
  413    HB2  ASP  63           2HB      ASP  63  -0.344  -2.213   3.207
  414    HB3  ASP  63           1HB      ASP  63   0.282  -0.864   4.156
  415    H    CYS  64           H        CYS  64   2.724   0.258   3.303
  416    HA   CYS  64           HA       CYS  64   4.685  -1.689   2.336
  417    HB2  CYS  64           2HB      CYS  64   5.298   0.639   2.535
  418    HB3  CYS  64           1HB      CYS  64   4.934   0.647   4.245
  419    HA   PRO  65           HA       PRO  65   4.058  -4.467   5.626
  420    HB2  PRO  65           2HB      PRO  65   6.167  -6.084   5.001
  421    HB3  PRO  65           1HB      PRO  65   4.637  -6.098   4.125
  422    HG2  PRO  65           2HG      PRO  65   7.280  -5.002   3.313
  423    HG3  PRO  65           1HG      PRO  65   5.941  -5.565   2.302
  424    HD2  PRO  65           2HD      PRO  65   6.586  -2.870   2.858
  425    HD3  PRO  65           1HD      PRO  65   5.084  -3.462   2.115
  426    H    ARG  66           H        ARG  66   6.248  -2.074   5.909
  427    HA   ARG  66           HA       ARG  66   7.327  -3.306   8.384
  428    HB2  ARG  66           2HB      ARG  66   9.515  -1.881   7.598
  429    HB3  ARG  66           1HB      ARG  66   9.335  -3.630   7.412
  430    HG2  ARG  66           2HG      ARG  66   8.174  -3.040   5.149
  431    HG3  ARG  66           1HG      ARG  66   8.959  -1.471   5.342
  432    HD2  ARG  66           2HD      ARG  66  10.225  -4.190   5.048
  433    HD3  ARG  66           1HD      ARG  66  10.537  -2.724   4.120
  434    HE   ARG  66           HE       ARG  66  11.972  -1.968   5.868
  435   HH11  ARG  66          1HH1      ARG  66  11.926  -5.177   6.038
  436   HH12  ARG  66          2HH1      ARG  66  12.073  -5.338   7.756
  437   HH21  ARG  66          1HH2      ARG  66  11.398  -1.996   8.393
  438   HH22  ARG  66          2HH2      ARG  66  11.773  -3.537   9.088
  439    H    ASN  67           H        ASN  67   5.309  -1.304   8.243
  440    HA   ASN  67           HA       ASN  67   6.898   1.077   9.070
  441    HB2  ASN  67           2HB      ASN  67   4.477   0.772   7.553
  442    HB3  ASN  67           1HB      ASN  67   4.217   1.837   8.929
  443   HD21  ASN  67          1HD2      ASN  67   7.365   1.446   7.320
  444   HD22  ASN  67          2HD2      ASN  67   7.441   3.025   6.705
  445    HA   PRO  68           HA       PRO  68   4.424  -0.345  12.847
  446    HB2  PRO  68           2HB      PRO  68   6.149  -2.068  14.107
  447    HB3  PRO  68           1HB      PRO  68   4.875  -2.623  13.013
  448    HG2  PRO  68           2HG      PRO  68   7.803  -2.451  12.530
  449    HG3  PRO  68           1HG      PRO  68   6.615  -3.562  11.832
  450    HD2  PRO  68           2HD      PRO  68   7.675  -1.295  10.541
  451    HD3  PRO  68           1HD      PRO  68   6.220  -2.189  10.064
  452    H    TRP  69           H        TRP  69   7.468   0.649  11.805
  453    HA   TRP  69           HA       TRP  69   8.378   1.688  14.440
  454    HB2  TRP  69           2HB      TRP  69   9.816   2.367  11.925
  455    HB3  TRP  69           1HB      TRP  69  10.465   1.829  13.474
  456    HD1  TRP  69           HD       TRP  69   9.873   0.610  10.060
  457    HE1  TRP  69           1HE      TRP  69  10.105  -1.956   9.963
  458    HE3  TRP  69           3HE      TRP  69   9.715  -0.401  14.995
  459    HZ2  TRP  69           2HZ      TRP  69  10.202  -4.173  11.797
  460    HZ3  TRP  69           3HZ      TRP  69   9.871  -2.743  15.840
  461    HH2  TRP  69           HH       TRP  69  10.110  -4.628  14.240
  462    H    ASN  70           H        ASN  70   8.036   2.860  11.152
  463    HA   ASN  70           HA       ASN  70   8.032   5.636  11.712
  464    HB2  ASN  70           2HB      ASN  70   6.302   4.499   9.527
  465    HB3  ASN  70           1HB      ASN  70   7.292   5.958   9.508
  466   HD21  ASN  70          1HD2      ASN  70   9.140   5.692   8.253
  467   HD22  ASN  70          2HD2      ASN  70   9.997   4.238   8.070
  468    H    GLY  71           H        GLY  71   5.620   3.277  12.360
  469    HA2  GLY  71           2HA      GLY  71   3.709   3.644  13.750
  470    HA3  GLY  71           1HA      GLY  71   3.888   5.379  13.494
  Start of MODEL   10
    1    H    GLY   1           1HT      GLY   1 -17.363  -6.485   4.536
    2    HA2  GLY   1           1HA      GLY   1 -14.631  -5.447   4.957
    3    HA3  GLY   1           2HA      GLY   1 -15.219  -7.100   5.130
    4    H    LYS   2           H        LYS   2 -16.645  -7.400   2.747
    5    HA   LYS   2           HA       LYS   2 -14.413  -7.325   0.775
    6    HB2  LYS   2           2HB      LYS   2 -16.169  -9.367   1.548
    7    HB3  LYS   2           1HB      LYS   2 -16.745  -8.857  -0.039
    8    HG2  LYS   2           2HG      LYS   2 -14.580  -9.220  -1.029
    9    HG3  LYS   2           1HG      LYS   2 -13.841  -9.477   0.553
   10    HD2  LYS   2           2HD      LYS   2 -15.289 -11.479   0.873
   11    HD3  LYS   2           1HD      LYS   2 -15.930 -11.246  -0.755
   12    HE2  LYS   2           2HE      LYS   2 -14.229 -12.609  -1.395
   13    HE3  LYS   2           1HE      LYS   2 -13.225 -11.171  -1.213
   14    HZ1  LYS   2           3HZ      LYS   2 -12.417 -11.869   0.789
   15    HZ2  LYS   2           1HZ      LYS   2 -12.644 -13.372   0.036
   16    HZ3  LYS   2           2HZ      LYS   2 -13.787 -12.804   1.157
   17    H    GLU   3           H        GLU   3 -16.450  -5.124   1.468
   18    HA   GLU   3           HA       GLU   3 -17.459  -4.747  -1.325
   19    HB2  GLU   3           2HB      GLU   3 -18.781  -4.419   1.298
   20    HB3  GLU   3           1HB      GLU   3 -19.032  -3.085   0.172
   21    HG2  GLU   3           2HG      GLU   3 -19.674  -4.791  -1.575
   22    HG3  GLU   3           1HG      GLU   3 -19.624  -6.017  -0.308
   23    H    CYS   4           H        CYS   4 -15.550  -3.511   1.239
   24    HA   CYS   4           HA       CYS   4 -15.151  -0.980  -0.311
   25    HB2  CYS   4           2HB      CYS   4 -15.254  -1.384   2.691
   26    HB3  CYS   4           1HB      CYS   4 -14.613   0.075   1.941
   27    H    ASP   5           H        ASP   5 -13.291  -1.665  -1.360
   28    HA   ASP   5           HA       ASP   5 -11.147  -3.031   0.091
   29    HB2  ASP   5           2HB      ASP   5 -11.630  -3.506  -2.301
   30    HB3  ASP   5           1HB      ASP   5 -11.171  -1.851  -2.705
   31    H    CYS   6           H        CYS   6 -12.098   0.203  -0.263
   32    HA   CYS   6           HA       CYS   6  -9.369   1.079   0.581
   33    HB2  CYS   6           2HB      CYS   6  -9.601   3.117  -0.726
   34    HB3  CYS   6           1HB      CYS   6  -9.839   1.732  -1.791
   35    H    SER   7           H        SER   7  -9.552   3.358   1.646
   36    HA   SER   7           HA       SER   7 -11.989   3.334   3.379
   37    HB2  SER   7           2HB      SER   7  -9.145   3.571   3.957
   38    HB3  SER   7           1HB      SER   7 -10.056   4.923   4.625
   39    HG   SER   7           HG       SER   7  -9.837   2.655   5.732
   40    H    SER   8           H        SER   8 -10.175   5.184   1.094
   41    HA   SER   8           HA       SER   8 -11.423   7.724   1.948
   42    HB2  SER   8           2HB      SER   8  -9.638   7.198  -0.439
   43    HB3  SER   8           1HB      SER   8 -10.045   8.766   0.251
   44    HG   SER   8           HG       SER   8  -8.207   8.353   1.261
   45    HA   PRO   9           HA       PRO   9 -14.738   6.827  -0.926
   46    HB2  PRO   9           2HB      PRO   9 -16.269   8.992  -0.200
   47    HB3  PRO   9           1HB      PRO   9 -16.207   7.484   0.729
   48    HG2  PRO   9           2HG      PRO   9 -14.957  10.121   1.346
   49    HG3  PRO   9           1HG      PRO   9 -15.464   8.834   2.452
   50    HD2  PRO   9           2HD      PRO   9 -12.808   9.362   1.629
   51    HD3  PRO   9           1HD      PRO   9 -13.373   7.895   2.458
   52    H    GLU  10           H        GLU  10 -12.448   9.260  -0.982
   53    HA   GLU  10           HA       GLU  10 -13.639  10.487  -3.438
   54    HB2  GLU  10           2HB      GLU  10 -13.265  12.081  -1.555
   55    HB3  GLU  10           1HB      GLU  10 -11.551  11.664  -1.577
   56    HG2  GLU  10           2HG      GLU  10 -11.242  13.229  -3.165
   57    HG3  GLU  10           1HG      GLU  10 -12.241  12.262  -4.251
   58    H    ASN  11           H        ASN  11 -11.952   7.998  -3.041
   59    HA   ASN  11           HA       ASN  11  -9.466   8.778  -4.454
   60    HB2  ASN  11           2HB      ASN  11  -9.845   6.991  -2.460
   61    HB3  ASN  11           1HB      ASN  11 -10.042   5.925  -3.850
   62   HD21  ASN  11          1HD2      ASN  11  -7.948   4.891  -3.275
   63   HD22  ASN  11          2HD2      ASN  11  -6.487   5.671  -3.641
   64    HA   PRO  12           HA       PRO  12 -11.333   7.543  -8.280
   65    HB2  PRO  12           2HB      PRO  12  -9.045   7.707  -9.797
   66    HB3  PRO  12           1HB      PRO  12  -9.980   9.122  -9.283
   67    HG2  PRO  12           2HG      PRO  12  -7.366   8.125  -8.252
   68    HG3  PRO  12           1HG      PRO  12  -8.020   9.772  -8.248
   69    HD2  PRO  12           2HD      PRO  12  -7.955   8.002  -6.039
   70    HD3  PRO  12           1HD      PRO  12  -8.880   9.515  -6.139
   71    H    CYS  13           H        CYS  13  -8.528   5.972  -6.878
   72    HA   CYS  13           HA       CYS  13  -8.311   3.776  -8.701
   73    HB2  CYS  13           2HB      CYS  13  -7.645   3.919  -5.744
   74    HB3  CYS  13           1HB      CYS  13  -7.104   2.655  -6.848
   75    H    CYS  14           H        CYS  14 -10.192   4.205  -5.705
   76    HA   CYS  14           HA       CYS  14 -11.612   1.654  -6.369
   77    HB2  CYS  14           2HB      CYS  14 -12.116   1.425  -4.026
   78    HB3  CYS  14           1HB      CYS  14 -10.396   1.798  -4.144
   79    H    ASP  15           H        ASP  15 -13.784   1.761  -6.765
   80    HA   ASP  15           HA       ASP  15 -15.076   4.235  -7.302
   81    HB2  ASP  15           2HB      ASP  15 -15.718   1.833  -8.045
   82    HB3  ASP  15           1HB      ASP  15 -16.565   1.738  -6.500
   83    H    ALA  16           H        ALA  16 -16.241   5.611  -5.986
   84    HA   ALA  16           HA       ALA  16 -16.000   5.297  -3.110
   85    HB1  ALA  16           1HB      ALA  16 -16.544   7.500  -3.052
   86    HB2  ALA  16           2HB      ALA  16 -17.968   7.264  -4.067
   87    HB3  ALA  16           3HB      ALA  16 -16.375   7.439  -4.806
   88    H    ALA  17           H        ALA  17 -18.576   4.827  -5.486
   89    HA   ALA  17           HA       ALA  17 -20.703   4.467  -3.579
   90    HB1  ALA  17           1HB      ALA  17 -21.783   3.210  -5.538
   91    HB2  ALA  17           2HB      ALA  17 -20.323   3.595  -6.449
   92    HB3  ALA  17           3HB      ALA  17 -21.346   4.892  -5.834
   93    H    THR  18           H        THR  18 -18.429   2.231  -5.142
   94    HA   THR  18           HA       THR  18 -19.476   0.058  -3.381
   95    HB   THR  18           HB       THR  18 -19.023  -1.454  -5.035
   96    HG1  THR  18           1HG      THR  18 -16.764   0.165  -5.495
   97   HG21  THR  18          3HG2      THR  18 -18.689   0.899  -6.883
   98   HG22  THR  18          1HG2      THR  18 -20.233   0.588  -6.091
   99   HG23  THR  18          2HG2      THR  18 -19.537  -0.619  -7.173
  100    H    CYS  19           H        CYS  19 -17.270   2.344  -3.161
  101    HA   CYS  19           HA       CYS  19 -15.043   2.515  -2.366
  102    HB2  CYS  19           2HB      CYS  19 -14.892   1.041  -0.181
  103    HB3  CYS  19           1HB      CYS  19 -15.952   2.436  -0.241
  104    H    LYS  20           H        LYS  20 -15.097   0.615  -4.503
  105    HA   LYS  20           HA       LYS  20 -12.906  -1.159  -3.537
  106    HB2  LYS  20           2HB      LYS  20 -15.264  -2.043  -5.223
  107    HB3  LYS  20           1HB      LYS  20 -13.831  -3.023  -4.911
  108    HG2  LYS  20           2HG      LYS  20 -14.860  -1.978  -2.425
  109    HG3  LYS  20           1HG      LYS  20 -16.142  -2.819  -3.297
  110    HD2  LYS  20           2HD      LYS  20 -13.386  -3.977  -2.794
  111    HD3  LYS  20           1HD      LYS  20 -14.807  -4.330  -1.809
  112    HE2  LYS  20           2HE      LYS  20 -15.560  -5.827  -3.313
  113    HE3  LYS  20           1HE      LYS  20 -15.409  -4.657  -4.626
  114    HZ1  LYS  20           3HZ      LYS  20 -12.836  -5.361  -3.977
  115    HZ2  LYS  20           1HZ      LYS  20 -13.708  -5.863  -5.341
  116    HZ3  LYS  20           2HZ      LYS  20 -13.699  -6.823  -3.940
  117    H    LEU  21           H        LEU  21 -11.604  -2.025  -5.414
  118    HA   LEU  21           HA       LEU  21 -10.817   0.082  -7.160
  119    HB2  LEU  21           2HB      LEU  21 -10.234  -2.830  -6.926
  120    HB3  LEU  21           1HB      LEU  21  -9.867  -2.071  -8.474
  121    HG   LEU  21           HG       LEU  21  -8.751  -0.218  -6.979
  122   HD11  LEU  21          1HD1      LEU  21  -9.607  -2.071  -5.022
  123   HD12  LEU  21          2HD1      LEU  21  -8.578  -0.661  -4.778
  124   HD13  LEU  21          3HD1      LEU  21  -7.854  -2.234  -5.117
  125   HD21  LEU  21          3HD2      LEU  21  -7.670  -1.885  -8.578
  126   HD22  LEU  21          1HD2      LEU  21  -7.396  -2.916  -7.175
  127   HD23  LEU  21          2HD2      LEU  21  -6.645  -1.322  -7.258
  128    H    ARG  22           H        ARG  22 -12.117   0.912  -8.727
  129    HA   ARG  22           HA       ARG  22 -14.157  -0.768  -9.993
  130    HB2  ARG  22           2HB      ARG  22 -14.010   1.918  -9.426
  131    HB3  ARG  22           1HB      ARG  22 -13.692   1.887 -11.162
  132    HG2  ARG  22           2HG      ARG  22 -15.813   0.049 -10.618
  133    HG3  ARG  22           1HG      ARG  22 -16.199   1.583  -9.837
  134    HD2  ARG  22           2HD      ARG  22 -15.981   2.790 -11.894
  135    HD3  ARG  22           1HD      ARG  22 -15.255   1.402 -12.705
  136    HE   ARG  22           HE       ARG  22 -18.102   1.846 -12.314
  137   HH11  ARG  22          1HH1      ARG  22 -16.469   0.304 -14.489
  138   HH12  ARG  22          2HH1      ARG  22 -17.113  -1.288 -14.267
  139   HH21  ARG  22          1HH2      ARG  22 -18.567  -0.560 -11.204
  140   HH22  ARG  22          2HH2      ARG  22 -18.300  -1.777 -12.407
  141    HA   PRO  23           HA       PRO  23 -11.420   0.072 -13.814
  142    HB2  PRO  23           2HB      PRO  23  -9.024   1.358 -13.412
  143    HB3  PRO  23           1HB      PRO  23 -10.545   2.202 -13.752
  144    HG2  PRO  23           2HG      PRO  23  -9.060   1.983 -11.181
  145    HG3  PRO  23           1HG      PRO  23 -10.200   3.229 -11.716
  146    HD2  PRO  23           2HD      PRO  23 -10.756   1.087  -9.929
  147    HD3  PRO  23           1HD      PRO  23 -11.943   2.189 -10.660
  148    H    GLY  24           H        GLY  24  -9.420  -1.006 -14.717
  149    HA2  GLY  24           2HA      GLY  24  -8.761  -3.389 -13.274
  150    HA3  GLY  24           1HA      GLY  24  -7.942  -2.828 -14.732
  151    H    ALA  25           H        ALA  25  -8.116  -2.236 -11.221
  152    HA   ALA  25           HA       ALA  25  -5.233  -1.442 -11.344
  153    HB1  ALA  25           1HB      ALA  25  -5.984   0.505 -10.457
  154    HB2  ALA  25           2HB      ALA  25  -6.190  -0.412  -8.965
  155    HB3  ALA  25           3HB      ALA  25  -7.556  -0.185 -10.057
  156    H    GLN  26           H        GLN  26  -4.131  -1.860  -9.144
  157    HA   GLN  26           HA       GLN  26  -4.846  -4.610  -8.312
  158    HB2  GLN  26           2HB      GLN  26  -2.403  -2.908  -8.204
  159    HB3  GLN  26           1HB      GLN  26  -2.601  -4.104  -6.926
  160    HG2  GLN  26           2HG      GLN  26  -1.392  -5.177  -8.707
  161    HG3  GLN  26           1HG      GLN  26  -3.034  -5.821  -8.740
  162   HE21  GLN  26          1HE2      GLN  26  -3.668  -6.031 -10.890
  163   HE22  GLN  26          2HE2      GLN  26  -3.378  -4.885 -12.107
  164    H    CYS  27           H        CYS  27  -4.280  -1.404  -6.865
  165    HA   CYS  27           HA       CYS  27  -6.003  -2.253  -4.596
  166    HB2  CYS  27           2HB      CYS  27  -4.195  -2.376  -3.247
  167    HB3  CYS  27           1HB      CYS  27  -3.140  -1.729  -4.494
  168    H    GLY  28           H        GLY  28  -6.631  -0.238  -3.272
  169    HA2  GLY  28           2HA      GLY  28  -7.270   1.936  -5.186
  170    HA3  GLY  28           1HA      GLY  28  -8.115   1.636  -3.673
  171    H    GLU  29           H        GLU  29  -5.899   1.361  -1.990
  172    HA   GLU  29           HA       GLU  29  -4.310   3.823  -2.322
  173    HB2  GLU  29           2HB      GLU  29  -4.989   4.653  -0.113
  174    HB3  GLU  29           1HB      GLU  29  -6.367   4.553  -1.197
  175    HG2  GLU  29           2HG      GLU  29  -7.374   2.936   0.033
  176    HG3  GLU  29           1HG      GLU  29  -5.857   2.084   0.323
  177    H    GLY  30           H        GLY  30  -2.403   3.809  -0.996
  178    HA2  GLY  30           2HA      GLY  30  -1.653   2.266   1.122
  179    HA3  GLY  30           1HA      GLY  30  -1.569   1.104  -0.204
  180    H    LEU  31           H        LEU  31   0.649   2.237   1.423
  181    HA   LEU  31           HA       LEU  31   2.120   4.220   0.043
  182    HB2  LEU  31           2HB      LEU  31   2.964   1.863   1.734
  183    HB3  LEU  31           1HB      LEU  31   4.152   2.958   1.024
  184    HG   LEU  31           HG       LEU  31   1.835   4.109   2.543
  185   HD11  LEU  31          1HD1      LEU  31   3.118   2.198   3.825
  186   HD12  LEU  31          2HD1      LEU  31   2.788   3.729   4.636
  187   HD13  LEU  31          3HD1      LEU  31   4.387   3.414   3.964
  188   HD21  LEU  31          3HD2      LEU  31   4.357   4.977   1.395
  189   HD22  LEU  31          1HD2      LEU  31   4.274   5.389   3.107
  190   HD23  LEU  31          2HD2      LEU  31   3.020   5.952   2.003
  191    H    CYS  32           H        CYS  32   1.515   0.889  -0.748
  192    HA   CYS  32           HA       CYS  32   3.542   1.026  -2.930
  193    HB2  CYS  32           2HB      CYS  32   2.976  -0.993  -1.111
  194    HB3  CYS  32           1HB      CYS  32   2.179  -1.530  -2.592
  195    H    CYS  33           H        CYS  33   0.836   2.313  -2.925
  196    HA   CYS  33           HA       CYS  33  -0.321   0.830  -5.249
  197    HB2  CYS  33           2HB      CYS  33  -1.702   2.699  -3.302
  198    HB3  CYS  33           1HB      CYS  33  -2.475   1.887  -4.663
  199    H    GLU  34           H        GLU  34   1.118   1.955  -6.703
  200    HA   GLU  34           HA       GLU  34   0.794   4.901  -6.862
  201    HB2  GLU  34           2HB      GLU  34   2.626   3.050  -8.418
  202    HB3  GLU  34           1HB      GLU  34   2.667   4.813  -8.444
  203    HG2  GLU  34           2HG      GLU  34   2.852   3.438  -5.794
  204    HG3  GLU  34           1HG      GLU  34   4.276   3.433  -6.836
  205    H    GLN  35           H        GLN  35  -0.950   5.507  -8.049
  206    HA   GLN  35           HA       GLN  35  -2.282   5.744  -9.975
  207    HB2  GLN  35           2HB      GLN  35   0.057   4.850 -11.033
  208    HB3  GLN  35           1HB      GLN  35  -1.010   3.508 -11.446
  209    HG2  GLN  35           2HG      GLN  35  -2.341   6.031 -11.933
  210    HG3  GLN  35           1HG      GLN  35  -0.799   5.976 -12.789
  211   HE21  GLN  35          1HE2      GLN  35  -0.668   3.163 -13.313
  212   HE22  GLN  35          2HE2      GLN  35  -1.919   2.759 -14.387
  213    H    CYS  36           H        CYS  36  -2.613   3.742  -7.749
  214    HA   CYS  36           HA       CYS  36  -4.346   2.235  -7.215
  215    HB2  CYS  36           2HB      CYS  36  -5.084   2.088 -10.133
  216    HB3  CYS  36           1HB      CYS  36  -6.127   1.912  -8.717
  217    H    LYS  37           H        LYS  37  -1.585   1.608  -8.501
  218    HA   LYS  37           HA       LYS  37  -2.194  -1.270  -9.042
  219    HB2  LYS  37           2HB      LYS  37   0.074   0.333 -10.258
  220    HB3  LYS  37           1HB      LYS  37  -0.369  -1.332 -10.638
  221    HG2  LYS  37           2HG      LYS  37  -2.656   0.432 -10.913
  222    HG3  LYS  37           1HG      LYS  37  -1.312   0.982 -11.916
  223    HD2  LYS  37           2HD      LYS  37  -1.275  -1.759 -12.294
  224    HD3  LYS  37           1HD      LYS  37  -3.000  -1.400 -12.204
  225    HE2  LYS  37           2HE      LYS  37  -2.945  -0.003 -14.067
  226    HE3  LYS  37           1HE      LYS  37  -1.226   0.346 -13.881
  227    HZ1  LYS  37           3HZ      LYS  37  -0.765  -1.972 -14.493
  228    HZ2  LYS  37           1HZ      LYS  37  -1.551  -1.123 -15.732
  229    HZ3  LYS  37           2HZ      LYS  37  -2.423  -2.221 -14.773
  230    H    PHE  38           H        PHE  38  -0.369  -2.734  -8.439
  231    HA   PHE  38           HA       PHE  38   0.755  -1.942  -5.862
  232    HB2  PHE  38           2HB      PHE  38   1.053  -4.443  -7.546
  233    HB3  PHE  38           1HB      PHE  38   1.836  -4.233  -5.984
  234    HD1  PHE  38           2HD      PHE  38  -0.343  -2.679  -4.575
  235    HD2  PHE  38           1HD      PHE  38  -0.497  -6.181  -7.058
  236    HE1  PHE  38           2HE      PHE  38  -2.424  -3.395  -3.435
  237    HE2  PHE  38           1HE      PHE  38  -2.577  -6.899  -5.913
  238    HZ   PHE  38           HZ       PHE  38  -3.540  -5.505  -4.103
  239    H    SER  39           H        SER  39   2.607  -0.762  -5.724
  240    HA   SER  39           HA       SER  39   4.326  -0.228  -7.935
  241    HB2  SER  39           2HB      SER  39   5.060  -0.126  -4.995
  242    HB3  SER  39           1HB      SER  39   5.853   0.741  -6.306
  243    HG   SER  39           HG       SER  39   4.421   2.160  -5.439
  244    H    ARG  40           H        ARG  40   6.923  -0.748  -7.182
  245    HA   ARG  40           HA       ARG  40   7.024  -3.688  -7.539
  246    HB2  ARG  40           2HB      ARG  40   8.371  -1.785  -8.849
  247    HB3  ARG  40           1HB      ARG  40   9.494  -2.007  -7.507
  248    HG2  ARG  40           2HG      ARG  40  10.319  -3.740  -8.708
  249    HG3  ARG  40           1HG      ARG  40   8.869  -4.606  -8.197
  250    HD2  ARG  40           2HD      ARG  40   7.844  -3.259 -10.293
  251    HD3  ARG  40           1HD      ARG  40   9.519  -3.389 -10.833
  252    HE   ARG  40           HE       ARG  40   7.947  -5.801 -10.017
  253   HH11  ARG  40          1HH2      ARG  40  10.789  -4.671 -11.395
  254   HH12  ARG  40          2HH2      ARG  40  10.752  -5.725 -12.769
  255   HH21  ARG  40          1HH1      ARG  40   7.562  -6.911 -12.104
  256   HH22  ARG  40          2HH1      ARG  40   8.925  -6.994 -13.170
  257    H    ALA  41           H        ALA  41   8.929  -4.785  -6.340
  258    HA   ALA  41           HA       ALA  41   8.626  -4.157  -3.473
  259    HB1  ALA  41           1HB      ALA  41  10.487  -6.311  -4.284
  260    HB2  ALA  41           2HB      ALA  41   8.822  -6.531  -4.821
  261    HB3  ALA  41           3HB      ALA  41   9.177  -6.344  -3.103
  262    H    GLY  42           H        GLY  42  10.625  -4.097  -2.091
  263    HA2  GLY  42           2HA      GLY  42  12.766  -3.229  -1.619
  264    HA3  GLY  42           1HA      GLY  42  13.175  -3.488  -3.318
  265    H    LYS  43           H        LYS  43  10.289  -1.727  -2.608
  266    HA   LYS  43           HA       LYS  43  11.601   0.723  -3.693
  267    HB2  LYS  43           2HB      LYS  43   9.692   0.775  -4.908
  268    HB3  LYS  43           1HB      LYS  43   8.950  -0.470  -3.912
  269    HG2  LYS  43           2HG      LYS  43   7.564   1.483  -3.700
  270    HG3  LYS  43           1HG      LYS  43   8.461   1.362  -2.196
  271    HD2  LYS  43           2HD      LYS  43   8.755   3.614  -2.738
  272    HD3  LYS  43           1HD      LYS  43  10.204   2.892  -3.440
  273    HE2  LYS  43           2HE      LYS  43   9.567   3.455  -5.530
  274    HE3  LYS  43           1HE      LYS  43   7.959   2.772  -5.287
  275    HZ1  LYS  43           3HZ      LYS  43   8.500   5.399  -5.542
  276    HZ2  LYS  43           1HZ      LYS  43   8.429   5.229  -3.856
  277    HZ3  LYS  43           2HZ      LYS  43   7.103   4.764  -4.812
  278    H    ILE  44           H        ILE  44  11.859   2.557  -2.442
  279    HA   ILE  44           HA       ILE  44  11.625   2.312   0.400
  280    HB   ILE  44           HB       ILE  44  12.355   4.472  -1.512
  281   HG12  ILE  44          2HG1      ILE  44  14.019   3.030  -0.419
  282   HG13  ILE  44          1HG1      ILE  44  14.204   4.695   0.137
  283   HG21  ILE  44          1HG2      ILE  44  10.969   5.933  -0.351
  284   HG22  ILE  44          2HG2      ILE  44  12.402   5.988   0.676
  285   HG23  ILE  44          3HG2      ILE  44  11.031   4.977   1.129
  286   HD11  ILE  44          3HD1      ILE  44  12.302   3.579   1.864
  287   HD12  ILE  44          1HD1      ILE  44  13.991   3.920   2.244
  288   HD13  ILE  44          2HD1      ILE  44  13.520   2.320   1.669
  289    H    CYS  45           H        CYS  45   9.681   2.059   1.325
  290    HA   CYS  45           HA       CYS  45   7.406   3.716   0.339
  291    HB2  CYS  45           2HB      CYS  45   6.140   2.009   1.938
  292    HB3  CYS  45           1HB      CYS  45   6.529   1.577   0.277
  293    H    ARG  46           H        ARG  46   9.544   3.151   2.935
  294    HA   ARG  46           HA       ARG  46   8.470   5.443   4.391
  295    HB2  ARG  46           2HB      ARG  46   7.473   2.897   5.070
  296    HB3  ARG  46           1HB      ARG  46   8.662   3.286   6.315
  297    HG2  ARG  46           2HG      ARG  46   7.206   5.666   5.823
  298    HG3  ARG  46           1HG      ARG  46   6.018   4.370   5.958
  299    HD2  ARG  46           2HD      ARG  46   8.157   4.196   7.961
  300    HD3  ARG  46           1HD      ARG  46   7.196   5.669   8.091
  301    HE   ARG  46           HE       ARG  46   5.178   4.175   8.240
  302   HH11  ARG  46          1HH2      ARG  46   6.840   1.708   7.422
  303   HH12  ARG  46          2HH2      ARG  46   6.959   0.890   8.944
  304   HH21  ARG  46          1HH1      ARG  46   5.967   3.646  10.801
  305   HH22  ARG  46          2HH1      ARG  46   6.464   1.988  10.857
  306    H    ILE  47           H        ILE  47   9.955   6.127   6.086
  307    HA   ILE  47           HA       ILE  47  12.712   5.281   5.506
  308    HB   ILE  47           HB       ILE  47  11.895   7.708   5.888
  309   HG12  ILE  47          2HG1      ILE  47  14.142   7.436   7.720
  310   HG13  ILE  47          1HG1      ILE  47  14.343   6.414   6.298
  311   HG21  ILE  47          1HG2      ILE  47  11.635   8.467   8.110
  312   HG22  ILE  47          2HG2      ILE  47  12.344   6.999   8.786
  313   HG23  ILE  47          3HG2      ILE  47  10.731   6.953   8.073
  314   HD11  ILE  47          3HD1      ILE  47  13.309   9.056   5.609
  315   HD12  ILE  47          1HD1      ILE  47  14.703   8.195   4.955
  316   HD13  ILE  47          2HD1      ILE  47  14.868   9.148   6.431
  317    H    ALA  48           H        ALA  48  14.202   4.801   7.366
  318    HA   ALA  48           HA       ALA  48  12.824   2.989   9.277
  319    HB1  ALA  48           1HB      ALA  48  15.560   2.706   9.666
  320    HB2  ALA  48           2HB      ALA  48  15.426   3.028   7.937
  321    HB3  ALA  48           3HB      ALA  48  14.554   1.671   8.651
  322    H    ARG  49           H        ARG  49  12.126   4.314  10.953
  323    HA   ARG  49           HA       ARG  49  13.699   6.503  11.996
  324    HB2  ARG  49           2HB      ARG  49  11.242   5.024  12.910
  325    HB3  ARG  49           1HB      ARG  49  12.035   6.172  13.990
  326    HG2  ARG  49           2HG      ARG  49  11.449   6.999  11.167
  327    HG3  ARG  49           1HG      ARG  49  10.140   6.999  12.349
  328    HD2  ARG  49           2HD      ARG  49  10.889   9.065  12.907
  329    HD3  ARG  49           1HD      ARG  49  12.184   8.211  13.744
  330    HE   ARG  49           HE       ARG  49  13.206   8.401  11.228
  331   HH11  ARG  49          1HH1      ARG  49  11.259  10.699  10.836
  332   HH12  ARG  49          2HH1      ARG  49  12.238  12.056  11.285
  333   HH21  ARG  49          1HH2      ARG  49  14.648  10.130  12.870
  334   HH22  ARG  49          2HH2      ARG  49  14.157  11.733  12.436
  335    H    GLY  50           H        GLY  50  15.720   5.888  12.732
  336    HA2  GLY  50           2HA      GLY  50  16.481   5.166  15.140
  337    HA3  GLY  50           1HA      GLY  50  15.879   3.592  14.622
  338    H    ASP  51           H        ASP  51  17.406   2.278  13.745
  339    HA   ASP  51           HA       ASP  51  19.516   3.429  12.027
  340    HB2  ASP  51           2HB      ASP  51  19.965   2.677  14.784
  341    HB3  ASP  51           1HB      ASP  51  20.899   1.633  13.711
  342    H    TRP  52           H        TRP  52  17.440   1.845  11.180
  343    HA   TRP  52           HA       TRP  52  18.823  -0.750  10.650
  344    HB2  TRP  52           2HB      TRP  52  16.157  -1.386  10.392
  345    HB3  TRP  52           1HB      TRP  52  17.140  -1.734  11.812
  346    HD1  TRP  52           HD       TRP  52  14.733   0.954  10.458
  347    HE1  TRP  52           1HE      TRP  52  13.663   2.168  12.465
  348    HE3  TRP  52           3HE      TRP  52  17.310  -1.230  14.285
  349    HZ2  TRP  52           2HZ      TRP  52  13.873   2.208  15.317
  350    HZ3  TRP  52           3HZ      TRP  52  16.857  -0.587  16.635
  351    HH2  TRP  52           HH       TRP  52  15.143   1.128  17.156
  352    H    ASN  53           H        ASN  53  17.252  -1.813   8.734
  353    HA   ASN  53           HA       ASN  53  17.815  -0.162   6.434
  354    HB2  ASN  53           2HB      ASN  53  16.802  -2.859   6.963
  355    HB3  ASN  53           1HB      ASN  53  16.021  -2.101   5.575
  356   HD21  ASN  53          1HD2      ASN  53  18.051  -0.605   4.426
  357   HD22  ASN  53          2HD2      ASN  53  19.342  -1.608   3.967
  358    H    ASP  54           H        ASP  54  16.471   1.227   5.333
  359    HA   ASP  54           HA       ASP  54  14.139   2.294   6.559
  360    HB2  ASP  54           2HB      ASP  54  15.268   2.404   3.770
  361    HB3  ASP  54           1HB      ASP  54  13.687   3.109   4.112
  362    H    ASP  55           H        ASP  55  11.945   2.296   5.199
  363    HA   ASP  55           HA       ASP  55  11.044  -0.485   5.176
  364    HB2  ASP  55           2HB      ASP  55   9.806   2.183   5.159
  365    HB3  ASP  55           1HB      ASP  55   8.952   1.000   4.169
  366    H    ARG  56           H        ARG  56  10.768  -1.752   3.382
  367    HA   ARG  56           HA       ARG  56  11.160  -0.447   0.711
  368    HB2  ARG  56           2HB      ARG  56  12.017  -3.178   1.712
  369    HB3  ARG  56           1HB      ARG  56  12.050  -2.713   0.011
  370    HG2  ARG  56           2HG      ARG  56  13.408  -1.035   2.121
  371    HG3  ARG  56           1HG      ARG  56  14.230  -2.401   1.364
  372    HD2  ARG  56           2HD      ARG  56  14.136  -1.416  -0.785
  373    HD3  ARG  56           1HD      ARG  56  12.898  -0.261  -0.294
  374    HE   ARG  56           HE       ARG  56  14.741   0.761   1.173
  375   HH11  ARG  56          1HH1      ARG  56  16.349  -1.650  -0.290
  376   HH12  ARG  56          2HH1      ARG  56  17.443  -0.673  -1.211
  377   HH21  ARG  56          1HH2      ARG  56  15.734   2.283  -0.602
  378   HH22  ARG  56          2HH2      ARG  56  17.094   1.554  -1.388
  379    H    CYS  57           H        CYS  57   9.544  -0.717  -0.707
  380    HA   CYS  57           HA       CYS  57   7.048  -1.875   0.002
  381    HB2  CYS  57           2HB      CYS  57   8.191  -0.491  -2.224
  382    HB3  CYS  57           1HB      CYS  57   7.316  -1.892  -2.831
  383    H    THR  58           H        THR  58   6.085  -3.840  -0.677
  384    HA   THR  58           HA       THR  58   7.964  -6.065  -0.997
  385    HB   THR  58           HB       THR  58   5.215  -6.857  -1.282
  386    HG1  THR  58           1HG      THR  58   4.430  -5.187  -0.230
  387   HG21  THR  58          3HG2      THR  58   7.364  -7.143   0.820
  388   HG22  THR  58          1HG2      THR  58   6.806  -8.350  -0.340
  389   HG23  THR  58          2HG2      THR  58   5.769  -7.875   1.005
  390    H    GLY  59           H        GLY  59   6.057  -4.078  -3.061
  391    HA2  GLY  59           2HA      GLY  59   5.964  -4.088  -5.421
  392    HA3  GLY  59           1HA      GLY  59   7.012  -5.506  -5.411
  393    H    GLN  60           H        GLN  60   4.189  -5.636  -3.434
  394    HA   GLN  60           HA       GLN  60   2.513  -6.873  -5.508
  395    HB2  GLN  60           2HB      GLN  60   4.281  -8.504  -4.065
  396    HB3  GLN  60           1HB      GLN  60   2.716  -8.732  -3.283
  397    HG2  GLN  60           2HG      GLN  60   2.337  -8.683  -6.132
  398    HG3  GLN  60           1HG      GLN  60   3.603  -9.848  -5.741
  399   HE21  GLN  60          1HE2      GLN  60   2.971 -11.808  -4.734
  400   HE22  GLN  60          2HE2      GLN  60   1.372 -12.164  -4.290
  401    H    SER  61           H        SER  61   3.022  -6.070  -2.092
  402    HA   SER  61           HA       SER  61   0.134  -6.227  -1.533
  403    HB2  SER  61           2HB      SER  61   2.579  -5.539   0.088
  404    HB3  SER  61           1HB      SER  61   0.966  -5.197   0.707
  405    HG   SER  61           HG       SER  61   1.287  -7.224   1.363
  406    H    ALA  62           H        ALA  62  -0.992  -4.276  -0.623
  407    HA   ALA  62           HA       ALA  62  -0.460  -1.949  -2.331
  408    HB1  ALA  62           1HB      ALA  62  -2.650  -2.872  -0.553
  409    HB2  ALA  62           2HB      ALA  62  -2.734  -2.078  -2.123
  410    HB3  ALA  62           3HB      ALA  62  -2.446  -1.123  -0.670
  411    H    ASP  63           H        ASP  63  -0.675  -2.508   1.203
  412    HA   ASP  63           HA       ASP  63   0.534   0.101   1.745
  413    HB2  ASP  63           2HB      ASP  63   0.346  -2.098   3.786
  414    HB3  ASP  63           1HB      ASP  63   0.144  -0.360   4.003
  415    H    CYS  64           H        CYS  64   2.498  -0.075   3.441
  416    HA   CYS  64           HA       CYS  64   4.515  -1.814   2.094
  417    HB2  CYS  64           2HB      CYS  64   5.137   0.476   1.885
  418    HB3  CYS  64           1HB      CYS  64   4.763   0.816   3.571
  419    HA   PRO  65           HA       PRO  65   4.783  -4.121   5.787
  420    HB2  PRO  65           2HB      PRO  65   7.008  -5.529   5.044
  421    HB3  PRO  65           1HB      PRO  65   5.391  -5.893   4.444
  422    HG2  PRO  65           2HG      PRO  65   7.684  -4.603   3.057
  423    HG3  PRO  65           1HG      PRO  65   6.309  -5.486   2.371
  424    HD2  PRO  65           2HD      PRO  65   6.616  -2.675   2.444
  425    HD3  PRO  65           1HD      PRO  65   5.130  -3.562   2.045
  426    H    ARG  66           H        ARG  66   5.645  -3.413   7.703
  427    HA   ARG  66           HA       ARG  66   8.078  -1.749   7.671
  428    HB2  ARG  66           2HB      ARG  66   7.567  -1.589  10.170
  429    HB3  ARG  66           1HB      ARG  66   6.342  -0.919   9.090
  430    HG2  ARG  66           2HG      ARG  66   4.840  -2.629   9.508
  431    HG3  ARG  66           1HG      ARG  66   6.112  -3.800   9.860
  432    HD2  ARG  66           2HD      ARG  66   6.565  -2.128  11.895
  433    HD3  ARG  66           1HD      ARG  66   4.857  -1.766  11.652
  434    HE   ARG  66           HE       ARG  66   4.884  -4.513  11.703
  435   HH11  ARG  66          1HH2      ARG  66   5.144  -1.923  13.850
  436   HH12  ARG  66          2HH2      ARG  66   5.503  -2.893  15.239
  437   HH21  ARG  66          1HH1      ARG  66   5.800  -5.838  13.436
  438   HH22  ARG  66          2HH1      ARG  66   5.875  -5.109  15.005
  439    H    ASN  67           H        ASN  67   9.884  -2.227   9.124
  440    HA   ASN  67           HA       ASN  67  10.566  -5.079   9.086
  441    HB2  ASN  67           2HB      ASN  67  12.029  -2.566   9.914
  442    HB3  ASN  67           1HB      ASN  67  12.709  -4.168  10.192
  443   HD21  ASN  67          1HD2      ASN  67  14.276  -2.811   8.527
  444   HD22  ASN  67          2HD2      ASN  67  14.021  -3.209   6.898
  445    HA   PRO  68           HA       PRO  68   9.591  -5.897  13.298
  446    HB2  PRO  68           2HB      PRO  68  11.519  -7.760  13.891
  447    HB3  PRO  68           1HB      PRO  68  10.121  -8.096  12.855
  448    HG2  PRO  68           2HG      PRO  68  12.971  -7.689  12.085
  449    HG3  PRO  68           1HG      PRO  68  11.700  -8.589  11.242
  450    HD2  PRO  68           2HD      PRO  68  12.633  -5.988  10.585
  451    HD3  PRO  68           1HD      PRO  68  11.184  -6.782   9.931
  452    H    TRP  69           H        TRP  69  11.592  -3.633  12.807
  453    HA   TRP  69           HA       TRP  69  12.863  -3.736  15.503
  454    HB2  TRP  69           2HB      TRP  69  14.170  -2.467  13.086
  455    HB3  TRP  69           1HB      TRP  69  14.895  -2.800  14.661
  456    HD1  TRP  69           HD       TRP  69  15.038  -4.109  11.357
  457    HE1  TRP  69           1HE      TRP  69  15.607  -6.623  11.311
  458    HE3  TRP  69           3HE      TRP  69  14.087  -5.312  16.222
  459    HZ2  TRP  69           2HZ      TRP  69  15.653  -8.851  13.104
  460    HZ3  TRP  69           3HZ      TRP  69  14.401  -7.636  17.029
  461    HH2  TRP  69           HH       TRP  69  15.180  -9.406  15.478
  462    H    ASN  70           H        ASN  70  10.385  -2.475  14.329
  463    HA   ASN  70           HA       ASN  70  11.030   0.406  14.483
  464    HB2  ASN  70           2HB      ASN  70   8.425  -1.053  13.959
  465    HB3  ASN  70           1HB      ASN  70   8.611   0.702  13.940
  466   HD21  ASN  70          1HD2      ASN  70  11.006   1.073  12.589
  467   HD22  ASN  70          2HD2      ASN  70  10.907   0.428  11.022
  468    H    GLY  71           H        GLY  71   7.990  -0.710  15.738
  469    HA2  GLY  71           2HA      GLY  71   8.015  -1.248  18.302
  470    HA3  GLY  71           1HA      GLY  71   8.797   0.330  18.408
  Start of MODEL   11
    1    H    GLY   1           1HT      GLY   1  -7.857  -5.751   5.757
    2    HA2  GLY   1           1HA      GLY   1  -8.626  -5.258   3.758
    3    HA3  GLY   1           2HA      GLY   1  -8.196  -6.885   3.232
    4    H    LYS   2           H        LYS   2 -10.785  -4.915   4.609
    5    HA   LYS   2           HA       LYS   2 -12.709  -7.140   4.364
    6    HB2  LYS   2           2HB      LYS   2 -13.176  -4.246   5.150
    7    HB3  LYS   2           1HB      LYS   2 -14.315  -5.580   5.345
    8    HG2  LYS   2           2HG      LYS   2 -13.416  -5.955   7.374
    9    HG3  LYS   2           1HG      LYS   2 -11.937  -6.462   6.556
   10    HD2  LYS   2           2HD      LYS   2 -11.169  -4.098   6.526
   11    HD3  LYS   2           1HD      LYS   2 -12.621  -3.634   7.414
   12    HE2  LYS   2           2HE      LYS   2 -11.736  -5.635   9.004
   13    HE3  LYS   2           1HE      LYS   2 -10.196  -5.060   8.366
   14    HZ1  LYS   2           3HZ      LYS   2 -10.336  -3.191   9.543
   15    HZ2  LYS   2           1HZ      LYS   2 -11.564  -3.953  10.430
   16    HZ3  LYS   2           2HZ      LYS   2 -11.965  -2.935   9.131
   17    H    GLU   3           H        GLU   3 -14.848  -5.096   3.629
   18    HA   GLU   3           HA       GLU   3 -14.512  -5.390   0.713
   19    HB2  GLU   3           2HB      GLU   3 -16.738  -5.126   2.569
   20    HB3  GLU   3           1HB      GLU   3 -16.899  -4.010   1.212
   21    HG2  GLU   3           2HG      GLU   3 -17.877  -5.922   0.319
   22    HG3  GLU   3           1HG      GLU   3 -16.206  -6.124  -0.212
   23    H    CYS   4           H        CYS   4 -12.977  -3.375   2.415
   24    HA   CYS   4           HA       CYS   4 -13.648  -1.002   0.727
   25    HB2  CYS   4           2HB      CYS   4 -13.020  -1.087   3.688
   26    HB3  CYS   4           1HB      CYS   4 -12.885   0.390   2.741
   27    H    ASP   5           H        ASP   5 -11.956  -1.532  -0.692
   28    HA   ASP   5           HA       ASP   5  -9.276  -2.132   0.221
   29    HB2  ASP   5           2HB      ASP   5 -10.601  -2.404  -2.160
   30    HB3  ASP   5           1HB      ASP   5  -9.581  -1.003  -2.491
   31    H    CYS   6           H        CYS   6 -11.048   0.809  -0.303
   32    HA   CYS   6           HA       CYS   6  -8.513   2.320   0.170
   33    HB2  CYS   6           2HB      CYS   6  -9.250   4.072  -1.306
   34    HB3  CYS   6           1HB      CYS   6  -9.401   2.552  -2.186
   35    H    SER   7           H        SER   7  -9.009   4.566   1.090
   36    HA   SER   7           HA       SER   7 -11.316   4.350   2.984
   37    HB2  SER   7           2HB      SER   7  -8.540   5.484   3.349
   38    HB3  SER   7           1HB      SER   7  -9.864   5.896   4.435
   39    HG   SER   7           HG       SER   7  -9.242   4.112   5.384
   40    H    SER   8           H        SER   8 -10.145   6.036   0.332
   41    HA   SER   8           HA       SER   8 -11.489   8.562   1.179
   42    HB2  SER   8           2HB      SER   8  -9.609   8.019  -1.135
   43    HB3  SER   8           1HB      SER   8 -10.335   9.580  -0.770
   44    HG   SER   8           HG       SER   8  -8.238   9.361   0.128
   45    HA   PRO   9           HA       PRO   9 -14.755   7.189  -1.541
   46    HB2  PRO   9           2HB      PRO   9 -16.434   9.299  -1.004
   47    HB3  PRO   9           1HB      PRO   9 -16.246   7.900   0.069
   48    HG2  PRO   9           2HG      PRO   9 -15.195  10.670   0.397
   49    HG3  PRO   9           1HG      PRO   9 -15.580   9.462   1.634
   50    HD2  PRO   9           2HD      PRO   9 -12.986  10.108   0.694
   51    HD3  PRO   9           1HD      PRO   9 -13.419   8.699   1.685
   52    H    GLU  10           H        GLU  10 -13.027  10.203  -1.630
   53    HA   GLU  10           HA       GLU  10 -14.246  11.119  -4.139
   54    HB2  GLU  10           2HB      GLU  10 -11.661  12.126  -2.939
   55    HB3  GLU  10           1HB      GLU  10 -12.802  12.998  -3.961
   56    HG2  GLU  10           2HG      GLU  10 -13.954  13.686  -2.156
   57    HG3  GLU  10           1HG      GLU  10 -14.173  12.018  -1.628
   58    H    ASN  11           H        ASN  11 -12.228   8.639  -3.431
   59    HA   ASN  11           HA       ASN  11 -10.291   9.007  -5.603
   60    HB2  ASN  11           2HB      ASN  11  -9.929   7.764  -3.354
   61    HB3  ASN  11           1HB      ASN  11 -10.812   6.440  -4.112
   62   HD21  ASN  11          1HD2      ASN  11  -8.480   5.460  -3.723
   63   HD22  ASN  11          2HD2      ASN  11  -7.386   5.629  -5.009
   64    HA   PRO  12           HA       PRO  12 -13.305   7.196  -8.401
   65    HB2  PRO  12           2HB      PRO  12 -11.848   7.727 -10.672
   66    HB3  PRO  12           1HB      PRO  12 -12.870   8.926  -9.862
   67    HG2  PRO  12           2HG      PRO  12  -9.896   8.694  -9.872
   68    HG3  PRO  12           1HG      PRO  12 -10.909  10.132  -9.659
   69    HD2  PRO  12           2HD      PRO  12  -9.600   8.718  -7.591
   70    HD3  PRO  12           1HD      PRO  12 -10.889   9.922  -7.376
   71    H    CYS  13           H        CYS  13 -10.139   6.239  -7.633
   72    HA   CYS  13           HA       CYS  13  -9.971   4.045  -9.566
   73    HB2  CYS  13           2HB      CYS  13  -8.265   5.172  -7.400
   74    HB3  CYS  13           1HB      CYS  13  -8.034   3.467  -7.787
   75    H    CYS  14           H        CYS  14 -11.459   4.566  -6.531
   76    HA   CYS  14           HA       CYS  14 -11.925   1.629  -6.315
   77    HB2  CYS  14           2HB      CYS  14 -11.658   1.672  -3.931
   78    HB3  CYS  14           1HB      CYS  14 -10.236   2.458  -4.613
   79    H    ASP  15           H        ASP  15 -14.057   1.188  -6.317
   80    HA   ASP  15           HA       ASP  15 -16.100   3.109  -6.531
   81    HB2  ASP  15           2HB      ASP  15 -16.079   0.466  -6.826
   82    HB3  ASP  15           1HB      ASP  15 -16.695   0.511  -5.172
   83    H    ALA  16           H        ALA  16 -17.070   4.417  -5.044
   84    HA   ALA  16           HA       ALA  16 -16.152   4.492  -2.313
   85    HB1  ALA  16           1HB      ALA  16 -16.921   6.552  -3.231
   86    HB2  ALA  16           2HB      ALA  16 -18.151   6.088  -2.055
   87    HB3  ALA  16           3HB      ALA  16 -18.436   5.830  -3.776
   88    H    ALA  17           H        ALA  17 -19.193   3.385  -3.825
   89    HA   ALA  17           HA       ALA  17 -20.560   2.637  -1.468
   90    HB1  ALA  17           1HB      ALA  17 -20.850   0.761  -3.729
   91    HB2  ALA  17           2HB      ALA  17 -21.086   2.457  -4.153
   92    HB3  ALA  17           3HB      ALA  17 -22.077   1.716  -2.895
   93    H    THR  18           H        THR  18 -18.570   0.520  -3.576
   94    HA   THR  18           HA       THR  18 -18.419  -1.466  -1.394
   95    HB   THR  18           HB       THR  18 -17.489  -2.946  -3.010
   96    HG1  THR  18           1HG      THR  18 -16.419  -2.266  -4.745
   97   HG21  THR  18          3HG2      THR  18 -19.558  -1.091  -4.181
   98   HG22  THR  18          1HG2      THR  18 -19.784  -2.710  -3.521
   99   HG23  THR  18          2HG2      THR  18 -18.979  -2.497  -5.076
  100    H    CYS  19           H        CYS  19 -16.919   1.333  -1.833
  101    HA   CYS  19           HA       CYS  19 -14.719   2.160  -1.542
  102    HB2  CYS  19           2HB      CYS  19 -13.776   0.996   0.668
  103    HB3  CYS  19           1HB      CYS  19 -15.079   2.168   0.724
  104    H    LYS  20           H        LYS  20 -14.802  -0.225  -3.319
  105    HA   LYS  20           HA       LYS  20 -12.036  -1.200  -2.715
  106    HB2  LYS  20           2HB      LYS  20 -14.351  -2.723  -3.937
  107    HB3  LYS  20           1HB      LYS  20 -12.686  -3.305  -3.936
  108    HG2  LYS  20           2HG      LYS  20 -12.696  -3.753  -1.685
  109    HG3  LYS  20           1HG      LYS  20 -13.788  -2.417  -1.317
  110    HD2  LYS  20           2HD      LYS  20 -14.928  -4.561  -0.960
  111    HD3  LYS  20           1HD      LYS  20 -15.666  -3.697  -2.309
  112    HE2  LYS  20           2HE      LYS  20 -13.587  -5.195  -3.458
  113    HE3  LYS  20           1HE      LYS  20 -14.350  -6.283  -2.298
  114    HZ1  LYS  20           3HZ      LYS  20 -15.588  -4.870  -4.579
  115    HZ2  LYS  20           1HZ      LYS  20 -16.525  -5.484  -3.306
  116    HZ3  LYS  20           2HZ      LYS  20 -15.578  -6.536  -4.245
  117    H    LEU  21           H        LEU  21 -11.209  -2.272  -4.969
  118    HA   LEU  21           HA       LEU  21 -10.929  -0.028  -6.760
  119    HB2  LEU  21           2HB      LEU  21 -10.070  -2.915  -6.854
  120    HB3  LEU  21           1HB      LEU  21  -9.812  -1.842  -8.231
  121    HG   LEU  21           HG       LEU  21  -9.024  -0.533  -5.776
  122   HD11  LEU  21          1HD1      LEU  21  -8.626  -3.252  -5.597
  123   HD12  LEU  21          2HD1      LEU  21  -7.664  -2.037  -4.753
  124   HD13  LEU  21          3HD1      LEU  21  -7.101  -2.699  -6.287
  125   HD21  LEU  21          3HD2      LEU  21  -8.282  -0.694  -8.489
  126   HD22  LEU  21          1HD2      LEU  21  -6.877  -1.251  -7.583
  127   HD23  LEU  21          2HD2      LEU  21  -7.561   0.339  -7.254
  128    H    ARG  22           H        ARG  22 -12.380   0.590  -8.251
  129    HA   ARG  22           HA       ARG  22 -14.548  -1.205  -9.065
  130    HB2  ARG  22           2HB      ARG  22 -14.312   1.536  -8.791
  131    HB3  ARG  22           1HB      ARG  22 -14.281   1.314 -10.541
  132    HG2  ARG  22           2HG      ARG  22 -16.374   0.151  -8.679
  133    HG3  ARG  22           1HG      ARG  22 -16.598   1.578  -9.693
  134    HD2  ARG  22           2HD      ARG  22 -16.257   0.257 -11.709
  135    HD3  ARG  22           1HD      ARG  22 -15.871  -1.169 -10.748
  136    HE   ARG  22           HE       ARG  22 -18.560   0.075 -10.459
  137   HH11  ARG  22          1HH1      ARG  22 -17.562  -1.802 -12.849
  138   HH12  ARG  22          2HH1      ARG  22 -18.357  -3.265 -12.374
  139   HH21  ARG  22          1HH2      ARG  22 -19.131  -2.124  -9.192
  140   HH22  ARG  22          2HH2      ARG  22 -19.245  -3.448 -10.303
  141    HA   PRO  23           HA       PRO  23 -12.346  -0.714 -13.279
  142    HB2  PRO  23           2HB      PRO  23  -9.879   0.502 -13.291
  143    HB3  PRO  23           1HB      PRO  23 -11.407   1.373 -13.504
  144    HG2  PRO  23           2HG      PRO  23  -9.612   1.294 -11.130
  145    HG3  PRO  23           1HG      PRO  23 -10.769   2.541 -11.621
  146    HD2  PRO  23           2HD      PRO  23 -11.161   0.582  -9.607
  147    HD3  PRO  23           1HD      PRO  23 -12.405   1.654 -10.283
  148    H    GLY  24           H        GLY  24  -9.657  -1.220 -14.020
  149    HA2  GLY  24           2HA      GLY  24  -9.280  -3.866 -12.764
  150    HA3  GLY  24           1HA      GLY  24  -8.483  -3.295 -14.228
  151    H    ALA  25           H        ALA  25  -8.461  -1.070 -11.613
  152    HA   ALA  25           HA       ALA  25  -5.582  -1.116 -11.453
  153    HB1  ALA  25           1HB      ALA  25  -6.353   0.969 -10.839
  154    HB2  ALA  25           2HB      ALA  25  -6.247   0.249  -9.232
  155    HB3  ALA  25           3HB      ALA  25  -7.799   0.319 -10.065
  156    H    GLN  26           H        GLN  26  -4.259  -2.206 -10.014
  157    HA   GLN  26           HA       GLN  26  -5.377  -4.436  -8.538
  158    HB2  GLN  26           2HB      GLN  26  -2.739  -3.465  -9.273
  159    HB3  GLN  26           1HB      GLN  26  -2.770  -3.972  -7.584
  160    HG2  GLN  26           2HG      GLN  26  -2.269  -5.960  -8.756
  161    HG3  GLN  26           1HG      GLN  26  -4.003  -6.076  -8.450
  162   HE21  GLN  26          1HE2      GLN  26  -1.767  -4.782 -10.975
  163   HE22  GLN  26          2HE2      GLN  26  -2.759  -5.220 -12.281
  164    H    CYS  27           H        CYS  27  -4.610  -1.142  -7.807
  165    HA   CYS  27           HA       CYS  27  -5.796  -1.422  -5.138
  166    HB2  CYS  27           2HB      CYS  27  -3.797  -0.269  -4.079
  167    HB3  CYS  27           1HB      CYS  27  -3.524  -1.949  -4.550
  168    H    GLY  28           H        GLY  28  -6.401   0.684  -4.281
  169    HA2  GLY  28           2HA      GLY  28  -6.540   2.743  -6.417
  170    HA3  GLY  28           1HA      GLY  28  -7.582   2.676  -5.000
  171    H    GLU  29           H        GLU  29  -5.612   2.322  -3.031
  172    HA   GLU  29           HA       GLU  29  -3.743   4.582  -3.376
  173    HB2  GLU  29           2HB      GLU  29  -4.565   5.715  -1.394
  174    HB3  GLU  29           1HB      GLU  29  -5.877   5.540  -2.548
  175    HG2  GLU  29           2HG      GLU  29  -6.926   4.809  -0.612
  176    HG3  GLU  29           1HG      GLU  29  -6.302   3.283  -1.238
  177    H    GLY  30           H        GLY  30  -2.021   4.548  -1.811
  178    HA2  GLY  30           2HA      GLY  30  -1.709   3.053   0.478
  179    HA3  GLY  30           1HA      GLY  30  -1.443   1.868  -0.800
  180    H    LEU  31           H        LEU  31   0.644   2.478   0.923
  181    HA   LEU  31           HA       LEU  31   2.351   4.593  -0.017
  182    HB2  LEU  31           2HB      LEU  31   2.789   2.107   1.626
  183    HB3  LEU  31           1HB      LEU  31   4.160   3.084   1.107
  184    HG   LEU  31           HG       LEU  31   1.763   4.176   2.606
  185   HD11  LEU  31          1HD1      LEU  31   3.237   4.255   4.556
  186   HD12  LEU  31          2HD1      LEU  31   4.559   3.564   3.616
  187   HD13  LEU  31          3HD1      LEU  31   3.128   2.595   3.970
  188   HD21  LEU  31          3HD2      LEU  31   3.988   5.362   1.175
  189   HD22  LEU  31          1HD2      LEU  31   4.048   5.801   2.883
  190   HD23  LEU  31          2HD2      LEU  31   2.607   6.156   1.932
  191    H    CYS  32           H        CYS  32   1.700   1.379  -1.185
  192    HA   CYS  32           HA       CYS  32   3.984   1.655  -3.097
  193    HB2  CYS  32           2HB      CYS  32   2.555  -0.944  -2.637
  194    HB3  CYS  32           1HB      CYS  32   4.217  -0.666  -3.148
  195    H    CYS  33           H        CYS  33   0.976   2.566  -3.140
  196    HA   CYS  33           HA       CYS  33   0.288   1.175  -5.686
  197    HB2  CYS  33           2HB      CYS  33  -1.384   1.165  -3.761
  198    HB3  CYS  33           1HB      CYS  33  -1.594   2.889  -4.057
  199    H    GLU  34           H        GLU  34   1.247   2.340  -7.291
  200    HA   GLU  34           HA       GLU  34   0.828   5.298  -7.288
  201    HB2  GLU  34           2HB      GLU  34   2.825   3.640  -8.866
  202    HB3  GLU  34           1HB      GLU  34   2.705   5.399  -8.877
  203    HG2  GLU  34           2HG      GLU  34   2.865   4.825  -6.178
  204    HG3  GLU  34           1HG      GLU  34   3.949   3.631  -6.895
  205    H    GLN  35           H        GLN  35  -0.642   6.045  -8.754
  206    HA   GLN  35           HA       GLN  35  -2.007   6.112 -10.668
  207    HB2  GLN  35           2HB      GLN  35   0.328   4.747 -11.506
  208    HB3  GLN  35           1HB      GLN  35  -1.036   3.793 -12.088
  209    HG2  GLN  35           2HG      GLN  35  -0.548   6.745 -12.571
  210    HG3  GLN  35           1HG      GLN  35  -0.511   5.454 -13.772
  211   HE21  GLN  35          1HE2      GLN  35  -2.671   4.198 -13.985
  212   HE22  GLN  35          2HE2      GLN  35  -4.105   5.091 -13.819
  213    H    CYS  36           H        CYS  36  -2.236   4.182  -8.272
  214    HA   CYS  36           HA       CYS  36  -3.940   2.749  -7.533
  215    HB2  CYS  36           2HB      CYS  36  -5.010   2.814 -10.362
  216    HB3  CYS  36           1HB      CYS  36  -5.888   2.406  -8.884
  217    H    LYS  37           H        LYS  37  -1.410   1.788  -8.574
  218    HA   LYS  37           HA       LYS  37  -2.283  -0.976  -9.244
  219    HB2  LYS  37           2HB      LYS  37  -0.727   0.828 -10.961
  220    HB3  LYS  37           1HB      LYS  37   0.068  -0.720 -10.675
  221    HG2  LYS  37           2HG      LYS  37  -2.669  -1.298 -11.114
  222    HG3  LYS  37           1HG      LYS  37  -2.193  -0.150 -12.366
  223    HD2  LYS  37           2HD      LYS  37  -0.600  -2.635 -11.686
  224    HD3  LYS  37           1HD      LYS  37  -1.803  -2.571 -12.976
  225    HE2  LYS  37           2HE      LYS  37  -0.534  -0.631 -13.960
  226    HE3  LYS  37           1HE      LYS  37   0.724  -0.914 -12.757
  227    HZ1  LYS  37           3HZ      LYS  37   0.543  -2.118 -15.189
  228    HZ2  LYS  37           1HZ      LYS  37  -0.054  -3.302 -14.132
  229    HZ3  LYS  37           2HZ      LYS  37   1.495  -2.650 -13.886
  230    H    PHE  38           H        PHE  38  -0.449  -2.553  -8.834
  231    HA   PHE  38           HA       PHE  38   0.820  -1.878  -6.296
  232    HB2  PHE  38           2HB      PHE  38   0.992  -4.327  -8.073
  233    HB3  PHE  38           1HB      PHE  38   1.801  -4.191  -6.514
  234    HD1  PHE  38           1HD      PHE  38  -0.297  -2.616  -5.021
  235    HD2  PHE  38           2HD      PHE  38  -0.618  -6.020  -7.622
  236    HE1  PHE  38           1HE      PHE  38  -2.380  -3.299  -3.868
  237    HE2  PHE  38           2HE      PHE  38  -2.703  -6.703  -6.470
  238    HZ   PHE  38           HZ       PHE  38  -3.585  -5.343  -4.592
  239    H    SER  39           H        SER  39   2.700  -0.756  -6.200
  240    HA   SER  39           HA       SER  39   4.386  -0.278  -8.467
  241    HB2  SER  39           2HB      SER  39   5.292  -0.146  -5.585
  242    HB3  SER  39           1HB      SER  39   5.859   0.817  -6.946
  243    HG   SER  39           HG       SER  39   4.327   1.878  -5.519
  244    H    ARG  40           H        ARG  40   6.989  -0.845  -7.346
  245    HA   ARG  40           HA       ARG  40   6.980  -3.815  -7.680
  246    HB2  ARG  40           2HB      ARG  40   9.132  -1.745  -8.211
  247    HB3  ARG  40           1HB      ARG  40   9.408  -3.485  -8.292
  248    HG2  ARG  40           2HG      ARG  40   7.034  -2.798  -9.787
  249    HG3  ARG  40           1HG      ARG  40   8.396  -1.825 -10.341
  250    HD2  ARG  40           2HD      ARG  40   9.152  -3.608 -11.485
  251    HD3  ARG  40           1HD      ARG  40   9.397  -4.444  -9.952
  252    HE   ARG  40           HE       ARG  40   6.683  -4.757 -10.497
  253   HH11  ARG  40          1HH2      ARG  40   9.567  -6.319 -11.013
  254   HH12  ARG  40          2HH2      ARG  40   9.028  -7.288 -12.343
  255   HH21  ARG  40          1HH1      ARG  40   6.011  -5.612 -12.684
  256   HH22  ARG  40          2HH1      ARG  40   7.014  -6.889 -13.289
  257    H    ALA  41           H        ALA  41   8.608  -5.000  -6.362
  258    HA   ALA  41           HA       ALA  41   8.514  -4.169  -3.594
  259    HB1  ALA  41           1HB      ALA  41   9.392  -6.256  -3.118
  260    HB2  ALA  41           2HB      ALA  41  10.483  -6.228  -4.504
  261    HB3  ALA  41           3HB      ALA  41   8.770  -6.578  -4.737
  262    H    GLY  42           H        GLY  42  10.653  -4.101  -2.297
  263    HA2  GLY  42           2HA      GLY  42  12.753  -3.094  -1.934
  264    HA3  GLY  42           1HA      GLY  42  13.029  -3.186  -3.673
  265    H    LYS  43           H        LYS  43  10.099  -1.679  -2.528
  266    HA   LYS  43           HA       LYS  43  11.169   0.918  -3.543
  267    HB2  LYS  43           2HB      LYS  43   9.170   0.976  -4.580
  268    HB3  LYS  43           1HB      LYS  43   8.591  -0.409  -3.667
  269    HG2  LYS  43           2HG      LYS  43   7.111   1.430  -3.151
  270    HG3  LYS  43           1HG      LYS  43   8.123   1.208  -1.742
  271    HD2  LYS  43           2HD      LYS  43   9.462   3.088  -2.259
  272    HD3  LYS  43           1HD      LYS  43   8.891   3.136  -3.927
  273    HE2  LYS  43           2HE      LYS  43   6.671   3.819  -3.197
  274    HE3  LYS  43           1HE      LYS  43   7.143   3.651  -1.506
  275    HZ1  LYS  43           3HZ      LYS  43   7.216   5.965  -2.587
  276    HZ2  LYS  43           1HZ      LYS  43   8.652   5.425  -3.311
  277    HZ3  LYS  43           2HZ      LYS  43   8.525   5.479  -1.618
  278    H    ILE  44           H        ILE  44  11.770   2.453  -2.088
  279    HA   ILE  44           HA       ILE  44  11.506   2.063   0.728
  280    HB   ILE  44           HB       ILE  44  13.079   3.647  -0.713
  281   HG12  ILE  44          2HG1      ILE  44  13.463   3.267   1.619
  282   HG13  ILE  44          1HG1      ILE  44  13.415   5.017   1.403
  283   HG21  ILE  44          1HG2      ILE  44  12.421   5.929  -0.768
  284   HG22  ILE  44          2HG2      ILE  44  11.021   5.629   0.262
  285   HG23  ILE  44          3HG2      ILE  44  11.040   5.031  -1.397
  286   HD11  ILE  44          3HD1      ILE  44  11.996   4.778   3.225
  287   HD12  ILE  44          1HD1      ILE  44  11.400   3.208   2.684
  288   HD13  ILE  44          2HD1      ILE  44  10.838   4.684   1.899
  289    H    CYS  45           H        CYS  45   9.630   2.069   1.798
  290    HA   CYS  45           HA       CYS  45   7.437   3.896   0.891
  291    HB2  CYS  45           2HB      CYS  45   6.140   2.301   2.593
  292    HB3  CYS  45           1HB      CYS  45   6.376   1.858   0.911
  293    H    ARG  46           H        ARG  46   9.660   3.164   3.368
  294    HA   ARG  46           HA       ARG  46   8.815   5.514   4.891
  295    HB2  ARG  46           2HB      ARG  46   7.397   3.438   5.636
  296    HB3  ARG  46           1HB      ARG  46   8.882   2.945   6.452
  297    HG2  ARG  46           2HG      ARG  46   8.497   4.412   8.113
  298    HG3  ARG  46           1HG      ARG  46   8.409   5.739   6.955
  299    HD2  ARG  46           2HD      ARG  46   6.140   5.764   6.979
  300    HD3  ARG  46           1HD      ARG  46   6.033   4.005   6.947
  301    HE   ARG  46           HE       ARG  46   6.228   5.678   9.386
  302   HH11  ARG  46          1HH1      ARG  46   7.819   3.055   9.458
  303   HH12  ARG  46          2HH1      ARG  46   6.659   1.993  10.187
  304   HH21  ARG  46          1HH2      ARG  46   3.975   4.120   9.639
  305   HH22  ARG  46          2HH2      ARG  46   4.482   2.598  10.290
  306    H    ILE  47           H        ILE  47  10.496   6.317   6.147
  307    HA   ILE  47           HA       ILE  47  13.104   5.000   5.736
  308    HB   ILE  47           HB       ILE  47  12.377   7.622   5.633
  309   HG12  ILE  47          2HG1      ILE  47  14.474   6.709   4.798
  310   HG13  ILE  47          1HG1      ILE  47  14.823   8.101   5.824
  311   HG21  ILE  47          1HG2      ILE  47  13.252   8.781   7.600
  312   HG22  ILE  47          2HG2      ILE  47  13.626   7.239   8.371
  313   HG23  ILE  47          3HG2      ILE  47  11.948   7.698   8.083
  314   HD11  ILE  47          3HD1      ILE  47  15.101   5.173   6.513
  315   HD12  ILE  47          1HD1      ILE  47  15.096   6.434   7.745
  316   HD13  ILE  47          2HD1      ILE  47  16.356   6.412   6.512
  317    H    ALA  48           H        ALA  48  13.933   3.680   7.271
  318    HA   ALA  48           HA       ALA  48  12.678   3.638   9.947
  319    HB1  ALA  48           1HB      ALA  48  14.871   1.772   9.575
  320    HB2  ALA  48           2HB      ALA  48  13.715   1.660   8.248
  321    HB3  ALA  48           3HB      ALA  48  13.172   1.437   9.911
  322    H    ARG  49           H        ARG  49  14.002   3.722  11.885
  323    HA   ARG  49           HA       ARG  49  16.653   5.043  11.481
  324    HB2  ARG  49           2HB      ARG  49  14.266   6.093  12.769
  325    HB3  ARG  49           1HB      ARG  49  15.618   6.023  13.899
  326    HG2  ARG  49           2HG      ARG  49  17.036   7.248  12.309
  327    HG3  ARG  49           1HG      ARG  49  15.712   7.290  11.145
  328    HD2  ARG  49           2HD      ARG  49  14.365   8.414  13.074
  329    HD3  ARG  49           1HD      ARG  49  15.952   8.734  13.774
  330    HE   ARG  49           HE       ARG  49  14.902   9.904  11.264
  331   HH11  ARG  49          1HH2      ARG  49  16.330  10.964  13.924
  332   HH12  ARG  49          2HH2      ARG  49  17.752  11.635  13.199
  333   HH21  ARG  49          1HH1      ARG  49  17.229  10.107  10.129
  334   HH22  ARG  49          2HH1      ARG  49  18.262  11.149  11.048
  335    H    GLY  50           H        GLY  50  18.256   4.022  12.597
  336    HA2  GLY  50           2HA      GLY  50  18.587   3.176  15.086
  337    HA3  GLY  50           1HA      GLY  50  17.466   1.930  14.550
  338    H    ASP  51           H        ASP  51  18.410   1.602  11.923
  339    HA   ASP  51           HA       ASP  51  21.111   1.352  11.427
  340    HB2  ASP  51           2HB      ASP  51  20.342  -0.361  13.616
  341    HB3  ASP  51           1HB      ASP  51  20.908  -1.336  12.260
  342    H    TRP  52           H        TRP  52  18.277  -0.777  11.521
  343    HA   TRP  52           HA       TRP  52  18.845  -2.226   9.150
  344    HB2  TRP  52           2HB      TRP  52  16.247  -2.406   9.042
  345    HB3  TRP  52           1HB      TRP  52  17.082  -3.105  10.429
  346    HD1  TRP  52           HD       TRP  52  14.874  -0.173   9.413
  347    HE1  TRP  52           1HE      TRP  52  13.962   0.961  11.542
  348    HE3  TRP  52           3HE      TRP  52  17.560  -2.672  12.965
  349    HZ2  TRP  52           2HZ      TRP  52  14.324   0.826  14.375
  350    HZ3  TRP  52           3HZ      TRP  52  17.258  -2.150  15.368
  351    HH2  TRP  52           HH       TRP  52  15.644  -0.406  16.077
  352    H    ASN  53           H        ASN  53  18.289  -1.862   6.970
  353    HA   ASN  53           HA       ASN  53  18.451   0.771   5.973
  354    HB2  ASN  53           2HB      ASN  53  17.319  -1.756   4.752
  355    HB3  ASN  53           1HB      ASN  53  17.451  -0.246   3.851
  356   HD21  ASN  53          1HD2      ASN  53  19.409   0.040   2.775
  357   HD22  ASN  53          2HD2      ASN  53  20.863  -0.740   3.174
  358    H    ASP  54           H        ASP  54  16.497   1.483   4.337
  359    HA   ASP  54           HA       ASP  54  14.375   2.351   6.106
  360    HB2  ASP  54           2HB      ASP  54  14.257   2.484   3.098
  361    HB3  ASP  54           1HB      ASP  54  13.590   3.616   4.275
  362    H    ASP  55           H        ASP  55  12.010   2.121   4.885
  363    HA   ASP  55           HA       ASP  55  11.506  -0.797   4.964
  364    HB2  ASP  55           2HB      ASP  55   9.826   1.669   5.250
  365    HB3  ASP  55           1HB      ASP  55   9.046   0.175   4.733
  366    H    ARG  56           H        ARG  56  11.332  -1.924   3.096
  367    HA   ARG  56           HA       ARG  56  10.960  -0.401   0.566
  368    HB2  ARG  56           2HB      ARG  56  11.771  -3.294   0.927
  369    HB3  ARG  56           1HB      ARG  56  11.874  -2.332  -0.546
  370    HG2  ARG  56           2HG      ARG  56  13.236  -1.134   1.778
  371    HG3  ARG  56           1HG      ARG  56  13.937  -2.656   1.228
  372    HD2  ARG  56           2HD      ARG  56  13.783  -1.625  -1.149
  373    HD3  ARG  56           1HD      ARG  56  13.588  -0.086  -0.309
  374    HE   ARG  56           HE       ARG  56  15.841  -1.307   0.841
  375   HH11  ARG  56          1HH1      ARG  56  15.255   1.146  -1.185
  376   HH12  ARG  56          2HH1      ARG  56  16.620   0.923  -2.228
  377   HH21  ARG  56          1HH2      ARG  56  17.412  -2.206  -0.961
  378   HH22  ARG  56          2HH2      ARG  56  17.841  -0.975  -2.102
  379    H    CYS  57           H        CYS  57   9.193  -0.745  -0.741
  380    HA   CYS  57           HA       CYS  57   6.850  -1.999   0.378
  381    HB2  CYS  57           2HB      CYS  57   7.564  -0.739  -2.236
  382    HB3  CYS  57           1HB      CYS  57   6.131  -1.759  -2.172
  383    H    THR  58           H        THR  58   5.807  -3.916  -0.394
  384    HA   THR  58           HA       THR  58   7.617  -6.084  -1.008
  385    HB   THR  58           HB       THR  58   4.914  -6.833  -1.539
  386    HG1  THR  58           1HG      THR  58   4.008  -6.097   0.440
  387   HG21  THR  58          3HG2      THR  58   7.051  -7.353   0.453
  388   HG22  THR  58          1HG2      THR  58   6.085  -8.490  -0.488
  389   HG23  THR  58          2HG2      THR  58   5.408  -7.744   0.959
  390    H    GLY  59           H        GLY  59   5.612  -3.943  -2.895
  391    HA2  GLY  59           2HA      GLY  59   5.948  -3.606  -5.261
  392    HA3  GLY  59           1HA      GLY  59   6.661  -5.215  -5.362
  393    H    GLN  60           H        GLN  60   4.226  -6.012  -3.549
  394    HA   GLN  60           HA       GLN  60   2.256  -6.181  -5.793
  395    HB2  GLN  60           2HB      GLN  60   1.633  -8.400  -4.494
  396    HB3  GLN  60           1HB      GLN  60   2.970  -8.390  -5.644
  397    HG2  GLN  60           2HG      GLN  60   4.577  -8.489  -3.994
  398    HG3  GLN  60           1HG      GLN  60   3.574  -7.633  -2.820
  399   HE21  GLN  60          1HE2      GLN  60   4.998 -10.411  -2.802
  400   HE22  GLN  60          2HE2      GLN  60   3.782 -11.467  -2.268
  401    H    SER  61           H        SER  61   2.842  -5.406  -2.478
  402    HA   SER  61           HA       SER  61  -0.070  -5.407  -1.874
  403    HB2  SER  61           2HB      SER  61   2.301  -5.817  -0.322
  404    HB3  SER  61           1HB      SER  61   1.468  -4.397   0.305
  405    HG   SER  61           HG       SER  61  -0.443  -5.681   0.371
  406    H    ALA  62           H        ALA  62  -1.219  -3.533  -1.925
  407    HA   ALA  62           HA       ALA  62  -0.183  -1.115  -2.963
  408    HB1  ALA  62           1HB      ALA  62  -2.694  -2.064  -2.164
  409    HB2  ALA  62           2HB      ALA  62  -2.353  -0.496  -2.899
  410    HB3  ALA  62           3HB      ALA  62  -2.407  -0.655  -1.143
  411    H    ASP  63           H        ASP  63  -0.815  -2.015   0.441
  412    HA   ASP  63           HA       ASP  63   0.419   0.472   1.392
  413    HB2  ASP  63           2HB      ASP  63  -0.334  -1.969   3.020
  414    HB3  ASP  63           1HB      ASP  63  -0.118  -0.316   3.601
  415    H    CYS  64           H        CYS  64   2.196   0.179   3.157
  416    HA   CYS  64           HA       CYS  64   4.261  -1.637   2.007
  417    HB2  CYS  64           2HB      CYS  64   4.996   0.644   2.025
  418    HB3  CYS  64           1HB      CYS  64   4.457   0.877   3.685
  419    HA   PRO  65           HA       PRO  65   3.955  -4.134   5.583
  420    HB2  PRO  65           2HB      PRO  65   6.161  -5.648   5.014
  421    HB3  PRO  65           1HB      PRO  65   4.607  -5.876   4.214
  422    HG2  PRO  65           2HG      PRO  65   7.119  -4.676   3.171
  423    HG3  PRO  65           1HG      PRO  65   5.780  -5.427   2.285
  424    HD2  PRO  65           2HD      PRO  65   6.252  -2.650   2.564
  425    HD3  PRO  65           1HD      PRO  65   4.777  -3.410   1.933
  426    H    ARG  66           H        ARG  66   5.404  -4.758   7.468
  427    HA   ARG  66           HA       ARG  66   7.738  -2.938   7.812
  428    HB2  ARG  66           2HB      ARG  66   6.937  -2.498  10.170
  429    HB3  ARG  66           1HB      ARG  66   5.934  -1.765   8.914
  430    HG2  ARG  66           2HG      ARG  66   5.221  -4.529   9.779
  431    HG3  ARG  66           1HG      ARG  66   4.876  -3.218  10.909
  432    HD2  ARG  66           2HD      ARG  66   3.691  -2.011   9.055
  433    HD3  ARG  66           1HD      ARG  66   3.923  -3.432   8.038
  434    HE   ARG  66           HE       ARG  66   2.208  -3.342  10.476
  435   HH11  ARG  66          1HH1      ARG  66   1.013  -3.698   7.757
  436   HH12  ARG  66          2HH1      ARG  66   0.818  -5.416   7.664
  437   HH21  ARG  66          1HH2      ARG  66   2.971  -6.068  10.304
  438   HH22  ARG  66          2HH2      ARG  66   1.927  -6.758   9.107
  439    H    ASN  67           H        ASN  67   9.336  -3.771   9.240
  440    HA   ASN  67           HA       ASN  67   9.137  -6.688   9.676
  441    HB2  ASN  67           2HB      ASN  67  11.523  -5.057  10.489
  442    HB3  ASN  67           1HB      ASN  67  11.461  -6.692   9.830
  443   HD21  ASN  67          1HD2      ASN  67  13.159  -4.623   8.724
  444   HD22  ASN  67          2HD2      ASN  67  12.605  -4.283   7.156
  445    HA   PRO  68           HA       PRO  68   8.387  -6.334  13.988
  446    HB2  PRO  68           2HB      PRO  68   9.683  -8.581  14.893
  447    HB3  PRO  68           1HB      PRO  68   8.149  -8.627  14.009
  448    HG2  PRO  68           2HG      PRO  68  10.884  -9.328  13.054
  449    HG3  PRO  68           1HG      PRO  68   9.313  -9.914  12.483
  450    HD2  PRO  68           2HD      PRO  68  10.916  -7.945  11.221
  451    HD3  PRO  68           1HD      PRO  68   9.220  -8.317  10.842
  452    H    TRP  69           H        TRP  69  10.622  -4.698  13.180
  453    HA   TRP  69           HA       TRP  69  12.312  -4.955  15.623
  454    HB2  TRP  69           2HB      TRP  69  13.377  -4.214  12.883
  455    HB3  TRP  69           1HB      TRP  69  14.315  -4.445  14.360
  456    HD1  TRP  69           HD       TRP  69  13.580  -6.220  11.346
  457    HE1  TRP  69           1HE      TRP  69  13.751  -8.777  11.645
  458    HE3  TRP  69           3HE      TRP  69  13.528  -6.516  16.442
  459    HZ2  TRP  69           2HZ      TRP  69  13.852 -10.694  13.771
  460    HZ3  TRP  69           3HZ      TRP  69  13.662  -8.713  17.578
  461    HH2  TRP  69           HH       TRP  69  13.824 -10.800  16.251
  462    H    ASN  70           H        ASN  70  10.015  -3.257  15.110
  463    HA   ASN  70           HA       ASN  70  11.358  -0.584  15.004
  464    HB2  ASN  70           2HB      ASN  70   9.044  -1.601  13.638
  465    HB3  ASN  70           1HB      ASN  70   8.545  -0.297  14.716
  466   HD21  ASN  70          1HD2      ASN  70  11.538  -0.815  12.754
  467   HD22  ASN  70          2HD2      ASN  70  11.455   0.690  11.972
  468    H    GLY  71           H        GLY  71  11.769  -1.208  17.374
  469    HA2  GLY  71           2HA      GLY  71  11.306  -0.593  19.601
  470    HA3  GLY  71           1HA      GLY  71   9.827   0.178  19.028
  Start of MODEL   12
    1    H    GLY   1           1HT      GLY   1  -6.472  -6.127   2.962
    2    HA2  GLY   1           1HA      GLY   1  -9.192  -5.539   3.519
    3    HA3  GLY   1           2HA      GLY   1  -8.200  -5.026   2.153
    4    H    LYS   2           H        LYS   2 -10.924  -6.734   2.908
    5    HA   LYS   2           HA       LYS   2 -10.626  -8.513   0.527
    6    HB2  LYS   2           2HB      LYS   2 -11.045  -9.561   2.842
    7    HB3  LYS   2           1HB      LYS   2 -12.668  -8.884   2.713
    8    HG2  LYS   2           2HG      LYS   2 -12.722 -10.031   0.380
    9    HG3  LYS   2           1HG      LYS   2 -11.364 -10.980   0.986
   10    HD2  LYS   2           2HD      LYS   2 -14.086 -10.745   2.303
   11    HD3  LYS   2           1HD      LYS   2 -13.486 -12.148   1.418
   12    HE2  LYS   2           2HE      LYS   2 -11.565 -12.252   3.054
   13    HE3  LYS   2           1HE      LYS   2 -12.380 -11.002   3.996
   14    HZ1  LYS   2           3HZ      LYS   2 -12.806 -13.441   4.585
   15    HZ2  LYS   2           1HZ      LYS   2 -13.797 -13.466   3.208
   16    HZ3  LYS   2           2HZ      LYS   2 -14.143 -12.397   4.483
   17    H    GLU   3           H        GLU   3 -13.398  -7.222   2.323
   18    HA   GLU   3           HA       GLU   3 -14.822  -6.707  -0.184
   19    HB2  GLU   3           2HB      GLU   3 -16.654  -5.953   1.276
   20    HB3  GLU   3           1HB      GLU   3 -16.026  -7.504   1.834
   21    HG2  GLU   3           2HG      GLU   3 -15.727  -6.549   3.854
   22    HG3  GLU   3           1HG      GLU   3 -14.436  -5.593   3.126
   23    H    CYS   4           H        CYS   4 -12.647  -4.982   1.793
   24    HA   CYS   4           HA       CYS   4 -13.370  -2.493   0.330
   25    HB2  CYS   4           2HB      CYS   4 -14.177  -2.445   2.735
   26    HB3  CYS   4           1HB      CYS   4 -12.484  -2.516   3.223
   27    H    ASP   5           H        ASP   5 -11.639  -1.900  -0.860
   28    HA   ASP   5           HA       ASP   5  -8.941  -2.812  -0.001
   29    HB2  ASP   5           2HB      ASP   5 -10.134  -2.946  -2.453
   30    HB3  ASP   5           1HB      ASP   5  -9.248  -1.428  -2.602
   31    H    CYS   6           H        CYS   6 -10.912  -0.018  -0.097
   32    HA   CYS   6           HA       CYS   6  -8.546   1.630   0.643
   33    HB2  CYS   6           2HB      CYS   6 -10.732   2.720  -1.135
   34    HB3  CYS   6           1HB      CYS   6  -9.144   3.413  -0.805
   35    H    SER   7           H        SER   7  -8.940   2.668   2.535
   36    HA   SER   7           HA       SER   7 -11.547   2.502   3.795
   37    HB2  SER   7           2HB      SER   7  -9.900   2.502   5.412
   38    HB3  SER   7           1HB      SER   7  -8.866   3.604   4.508
   39    HG   SER   7           HG       SER   7 -10.245   5.290   5.076
   40    H    SER   8           H        SER   8 -10.159   4.681   1.571
   41    HA   SER   8           HA       SER   8 -11.620   7.044   2.490
   42    HB2  SER   8           2HB      SER   8 -10.622   6.900  -0.302
   43    HB3  SER   8           1HB      SER   8 -10.444   8.185   0.890
   44    HG   SER   8           HG       SER   8  -8.610   6.550   0.217
   45    HA   PRO   9           HA       PRO   9 -15.296   5.549   0.394
   46    HB2  PRO   9           2HB      PRO   9 -16.942   7.507   1.407
   47    HB3  PRO   9           1HB      PRO   9 -16.486   6.047   2.304
   48    HG2  PRO   9           2HG      PRO   9 -15.512   8.847   2.654
   49    HG3  PRO   9           1HG      PRO   9 -15.616   7.538   3.844
   50    HD2  PRO   9           2HD      PRO   9 -13.263   8.381   2.528
   51    HD3  PRO   9           1HD      PRO   9 -13.464   6.864   3.430
   52    H    GLU  10           H        GLU  10 -13.989   8.818   0.361
   53    HA   GLU  10           HA       GLU  10 -15.570   9.549  -2.027
   54    HB2  GLU  10           2HB      GLU  10 -14.286  11.711  -1.828
   55    HB3  GLU  10           1HB      GLU  10 -15.233  11.309  -0.395
   56    HG2  GLU  10           2HG      GLU  10 -13.383  11.180   0.889
   57    HG3  GLU  10           1HG      GLU  10 -12.581  10.122  -0.272
   58    H    ASN  11           H        ASN  11 -13.762   7.320  -2.281
   59    HA   ASN  11           HA       ASN  11 -11.579   8.464  -3.959
   60    HB2  ASN  11           2HB      ASN  11 -10.934   6.890  -2.139
   61    HB3  ASN  11           1HB      ASN  11 -11.920   5.643  -2.902
   62   HD21  ASN  11          1HD2      ASN  11  -8.916   5.760  -2.513
   63   HD22  ASN  11          2HD2      ASN  11  -8.268   5.571  -4.069
   64    HA   PRO  12           HA       PRO  12 -13.992   7.051  -7.423
   65    HB2  PRO  12           2HB      PRO  12 -12.170   7.793  -9.344
   66    HB3  PRO  12           1HB      PRO  12 -13.266   8.932  -8.541
   67    HG2  PRO  12           2HG      PRO  12 -10.338   8.536  -8.128
   68    HG3  PRO  12           1HG      PRO  12 -11.323   9.986  -7.867
   69    HD2  PRO  12           2HD      PRO  12 -10.409   8.221  -5.853
   70    HD3  PRO  12           1HD      PRO  12 -11.658   9.468  -5.660
   71    H    CYS  13           H        CYS  13 -10.526   6.278  -7.098
   72    HA   CYS  13           HA       CYS  13 -10.578   4.058  -8.935
   73    HB2  CYS  13           2HB      CYS  13  -8.635   5.426  -7.391
   74    HB3  CYS  13           1HB      CYS  13  -8.566   3.734  -6.894
   75    H    CYS  14           H        CYS  14 -11.808   4.477  -5.788
   76    HA   CYS  14           HA       CYS  14 -12.068   1.513  -5.509
   77    HB2  CYS  14           2HB      CYS  14 -10.865   3.391  -3.691
   78    HB3  CYS  14           1HB      CYS  14 -12.298   2.685  -2.943
   79    H    ASP  15           H        ASP  15 -14.171   1.181  -6.084
   80    HA   ASP  15           HA       ASP  15 -16.298   3.030  -5.850
   81    HB2  ASP  15           2HB      ASP  15 -16.114   0.624  -6.989
   82    HB3  ASP  15           1HB      ASP  15 -16.876   0.123  -5.478
   83    H    ALA  16           H        ALA  16 -17.319   3.804  -4.075
   84    HA   ALA  16           HA       ALA  16 -16.671   2.827  -1.425
   85    HB1  ALA  16           1HB      ALA  16 -18.765   4.788  -2.409
   86    HB2  ALA  16           2HB      ALA  16 -17.189   5.180  -1.723
   87    HB3  ALA  16           3HB      ALA  16 -18.441   4.467  -0.705
   88    H    ALA  17           H        ALA  17 -19.489   2.554  -3.579
   89    HA   ALA  17           HA       ALA  17 -21.325   1.320  -1.863
   90    HB1  ALA  17           1HB      ALA  17 -22.440   0.605  -3.780
   91    HB2  ALA  17           2HB      ALA  17 -20.945   0.189  -4.617
   92    HB3  ALA  17           3HB      ALA  17 -21.423   1.878  -4.454
   93    H    THR  18           H        THR  18 -18.466  -0.041  -3.418
   94    HA   THR  18           HA       THR  18 -18.995  -2.626  -2.013
   95    HB   THR  18           HB       THR  18 -17.761  -3.726  -3.680
   96    HG1  THR  18           1HG      THR  18 -16.341  -2.569  -5.055
   97   HG21  THR  18          3HG2      THR  18 -19.042  -3.294  -5.505
   98   HG22  THR  18          1HG2      THR  18 -18.561  -1.599  -5.559
   99   HG23  THR  18          2HG2      THR  18 -19.835  -2.118  -4.456
  100    H    CYS  19           H        CYS  19 -17.045   0.177  -2.059
  101    HA   CYS  19           HA       CYS  19 -15.311   0.828  -0.606
  102    HB2  CYS  19           2HB      CYS  19 -16.648  -1.041   0.852
  103    HB3  CYS  19           1HB      CYS  19 -15.078  -1.827   0.693
  104    H    LYS  20           H        LYS  20 -15.159  -1.303  -3.027
  105    HA   LYS  20           HA       LYS  20 -12.241  -1.828  -2.602
  106    HB2  LYS  20           2HB      LYS  20 -13.978  -3.409  -4.492
  107    HB3  LYS  20           1HB      LYS  20 -12.417  -3.852  -3.799
  108    HG2  LYS  20           2HG      LYS  20 -13.439  -4.015  -1.564
  109    HG3  LYS  20           1HG      LYS  20 -15.001  -3.544  -2.237
  110    HD2  LYS  20           2HD      LYS  20 -13.422  -6.054  -2.849
  111    HD3  LYS  20           1HD      LYS  20 -15.000  -5.946  -2.068
  112    HE2  LYS  20           2HE      LYS  20 -15.448  -4.592  -4.414
  113    HE3  LYS  20           1HE      LYS  20 -14.315  -5.840  -4.930
  114    HZ1  LYS  20           3HZ      LYS  20 -17.029  -6.102  -3.901
  115    HZ2  LYS  20           1HZ      LYS  20 -15.917  -7.293  -3.426
  116    HZ3  LYS  20           2HZ      LYS  20 -16.217  -7.022  -5.077
  117    H    LEU  21           H        LEU  21 -11.519  -2.513  -5.156
  118    HA   LEU  21           HA       LEU  21 -11.398   0.089  -6.442
  119    HB2  LEU  21           2HB      LEU  21 -10.379  -2.658  -7.175
  120    HB3  LEU  21           1HB      LEU  21 -10.189  -1.272  -8.250
  121    HG   LEU  21           HG       LEU  21  -9.426  -0.667  -5.490
  122   HD11  LEU  21          1HD1      LEU  21  -8.596  -2.848  -5.248
  123   HD12  LEU  21          2HD1      LEU  21  -7.200  -1.975  -5.881
  124   HD13  LEU  21          3HD1      LEU  21  -8.173  -2.979  -6.955
  125   HD21  LEU  21          3HD2      LEU  21  -8.779   0.058  -8.183
  126   HD22  LEU  21          1HD2      LEU  21  -7.294  -0.456  -7.383
  127   HD23  LEU  21          2HD2      LEU  21  -8.264   0.844  -6.691
  128    H    ARG  22           H        ARG  22 -12.904   0.871  -7.825
  129    HA   ARG  22           HA       ARG  22 -15.074  -0.797  -8.786
  130    HB2  ARG  22           2HB      ARG  22 -14.799   1.892  -8.373
  131    HB3  ARG  22           1HB      ARG  22 -14.644   1.799 -10.129
  132    HG2  ARG  22           2HG      ARG  22 -16.830   0.221  -8.842
  133    HG3  ARG  22           1HG      ARG  22 -17.036   1.969  -8.964
  134    HD2  ARG  22           2HD      ARG  22 -17.100   1.943 -11.273
  135    HD3  ARG  22           1HD      ARG  22 -16.081   0.508 -11.390
  136    HE   ARG  22           HE       ARG  22 -18.255  -0.636 -10.370
  137   HH11  ARG  22          1HH2      ARG  22 -17.630   0.957 -13.258
  138   HH12  ARG  22          2HH2      ARG  22 -19.276   1.004 -13.794
  139   HH21  ARG  22          1HH1      ARG  22 -20.563  -0.166 -10.792
  140   HH22  ARG  22          2HH1      ARG  22 -20.937   0.369 -12.398
  141    HA   PRO  23           HA       PRO  23 -12.819  -0.288 -12.968
  142    HB2  PRO  23           2HB      PRO  23 -10.317   0.851 -12.930
  143    HB3  PRO  23           1HB      PRO  23 -11.810   1.782 -13.135
  144    HG2  PRO  23           2HG      PRO  23 -10.043   1.576 -10.746
  145    HG3  PRO  23           1HG      PRO  23 -11.141   2.882 -11.218
  146    HD2  PRO  23           2HD      PRO  23 -11.639   0.902  -9.251
  147    HD3  PRO  23           1HD      PRO  23 -12.831   2.032  -9.927
  148    H    GLY  24           H        GLY  24 -10.223  -0.952 -13.742
  149    HA2  GLY  24           2HA      GLY  24  -9.841  -3.517 -12.298
  150    HA3  GLY  24           1HA      GLY  24  -9.188  -3.128 -13.891
  151    H    ALA  25           H        ALA  25  -8.996  -1.089 -11.000
  152    HA   ALA  25           HA       ALA  25  -6.080  -0.921 -11.343
  153    HB1  ALA  25           1HB      ALA  25  -8.177   0.581  -9.900
  154    HB2  ALA  25           2HB      ALA  25  -6.712   1.167 -10.688
  155    HB3  ALA  25           3HB      ALA  25  -6.627   0.487  -9.063
  156    H    GLN  26           H        GLN  26  -4.556  -1.544  -9.708
  157    HA   GLN  26           HA       GLN  26  -5.366  -3.914  -8.205
  158    HB2  GLN  26           2HB      GLN  26  -2.909  -2.758  -9.149
  159    HB3  GLN  26           1HB      GLN  26  -2.769  -3.075  -7.419
  160    HG2  GLN  26           2HG      GLN  26  -2.233  -5.179  -8.143
  161    HG3  GLN  26           1HG      GLN  26  -3.987  -5.359  -8.200
  162   HE21  GLN  26          1HE2      GLN  26  -4.535  -6.396 -10.120
  163   HE22  GLN  26          2HE2      GLN  26  -3.850  -6.065 -11.637
  164    H    CYS  27           H        CYS  27  -5.020  -0.526  -7.545
  165    HA   CYS  27           HA       CYS  27  -6.079  -0.893  -4.867
  166    HB2  CYS  27           2HB      CYS  27  -4.006  -1.317  -3.978
  167    HB3  CYS  27           1HB      CYS  27  -3.155  -0.512  -5.291
  168    H    GLY  28           H        GLY  28  -6.790   1.090  -3.975
  169    HA2  GLY  28           2HA      GLY  28  -6.903   3.312  -5.934
  170    HA3  GLY  28           1HA      GLY  28  -7.963   3.127  -4.541
  171    H    GLU  29           H        GLU  29  -5.769   2.491  -2.728
  172    HA   GLU  29           HA       GLU  29  -4.089   4.918  -2.767
  173    HB2  GLU  29           2HB      GLU  29  -4.843   5.695  -0.634
  174    HB3  GLU  29           1HB      GLU  29  -6.282   5.445  -1.612
  175    HG2  GLU  29           2HG      GLU  29  -6.992   4.264   0.206
  176    HG3  GLU  29           1HG      GLU  29  -6.027   2.980  -0.522
  177    H    GLY  30           H        GLY  30  -2.158   4.629  -1.570
  178    HA2  GLY  30           2HA      GLY  30  -1.549   2.895   0.481
  179    HA3  GLY  30           1HA      GLY  30  -1.479   1.854  -0.944
  180    H    LEU  31           H        LEU  31   0.800   2.517   0.702
  181    HA   LEU  31           HA       LEU  31   2.374   4.639  -0.397
  182    HB2  LEU  31           2HB      LEU  31   2.871   2.239   1.287
  183    HB3  LEU  31           1HB      LEU  31   4.267   2.888   0.428
  184    HG   LEU  31           HG       LEU  31   3.911   3.872   2.726
  185   HD11  LEU  31          1HD1      LEU  31   4.082   5.404   0.177
  186   HD12  LEU  31          2HD1      LEU  31   5.243   5.290   1.500
  187   HD13  LEU  31          3HD1      LEU  31   3.831   6.336   1.653
  188   HD21  LEU  31          3HD2      LEU  31   1.487   3.950   2.777
  189   HD22  LEU  31          1HD2      LEU  31   1.447   4.972   1.340
  190   HD23  LEU  31          2HD2      LEU  31   2.087   5.608   2.855
  191    H    CYS  32           H        CYS  32   1.724   1.376  -1.471
  192    HA   CYS  32           HA       CYS  32   3.731   1.718  -3.658
  193    HB2  CYS  32           2HB      CYS  32   3.107  -0.483  -1.963
  194    HB3  CYS  32           1HB      CYS  32   2.603  -0.918  -3.597
  195    H    CYS  33           H        CYS  33   1.128   3.011  -3.700
  196    HA   CYS  33           HA       CYS  33  -0.187   1.459  -5.891
  197    HB2  CYS  33           2HB      CYS  33  -1.375   3.576  -4.072
  198    HB3  CYS  33           1HB      CYS  33  -2.242   2.710  -5.340
  199    H    GLU  34           H        GLU  34   1.332   2.382  -7.438
  200    HA   GLU  34           HA       GLU  34   1.206   5.312  -7.834
  201    HB2  GLU  34           2HB      GLU  34   2.667   3.454  -9.684
  202    HB3  GLU  34           1HB      GLU  34   3.098   5.087  -9.174
  203    HG2  GLU  34           2HG      GLU  34   3.431   4.116  -6.831
  204    HG3  GLU  34           1HG      GLU  34   3.337   2.524  -7.588
  205    H    GLN  35           H        GLN  35  -0.470   6.051  -9.051
  206    HA   GLN  35           HA       GLN  35  -2.038   6.163 -10.790
  207    HB2  GLN  35           2HB      GLN  35   0.231   5.123 -11.962
  208    HB3  GLN  35           1HB      GLN  35  -0.974   3.884 -12.320
  209    HG2  GLN  35           2HG      GLN  35  -1.864   5.190 -13.922
  210    HG3  GLN  35           1HG      GLN  35  -2.171   6.455 -12.733
  211   HE21  GLN  35          1HE2      GLN  35  -1.560   7.734 -14.892
  212   HE22  GLN  35          2HE2      GLN  35   0.080   8.143 -15.047
  213    H    CYS  36           H        CYS  36  -2.504   4.564  -8.482
  214    HA   CYS  36           HA       CYS  36  -4.049   2.987  -7.706
  215    HB2  CYS  36           2HB      CYS  36  -4.944   3.270 -10.580
  216    HB3  CYS  36           1HB      CYS  36  -5.749   2.186  -9.447
  217    H    LYS  37           H        LYS  37  -1.461   2.283  -9.422
  218    HA   LYS  37           HA       LYS  37  -2.142  -0.613  -9.723
  219    HB2  LYS  37           2HB      LYS  37  -0.800   1.197 -11.469
  220    HB3  LYS  37           1HB      LYS  37   0.393   0.030 -10.897
  221    HG2  LYS  37           2HG      LYS  37  -0.449  -1.251 -12.592
  222    HG3  LYS  37           1HG      LYS  37  -1.691  -1.633 -11.400
  223    HD2  LYS  37           2HD      LYS  37  -3.127  -0.888 -13.003
  224    HD3  LYS  37           1HD      LYS  37  -2.658   0.708 -12.419
  225    HE2  LYS  37           2HE      LYS  37  -0.614   0.120 -14.162
  226    HE3  LYS  37           1HE      LYS  37  -2.001  -0.622 -14.960
  227    HZ1  LYS  37           3HZ      LYS  37  -1.846   1.635 -15.663
  228    HZ2  LYS  37           1HZ      LYS  37  -1.751   2.195 -14.066
  229    HZ3  LYS  37           2HZ      LYS  37  -3.195   1.507 -14.639
  230    H    PHE  38           H        PHE  38  -0.327  -2.107  -9.130
  231    HA   PHE  38           HA       PHE  38   0.775  -1.352  -6.532
  232    HB2  PHE  38           2HB      PHE  38   0.842  -3.824  -8.247
  233    HB3  PHE  38           1HB      PHE  38   1.927  -3.679  -6.870
  234    HD1  PHE  38           1HD      PHE  38  -0.948  -1.781  -6.135
  235    HD2  PHE  38           2HD      PHE  38   0.424  -5.846  -6.378
  236    HE1  PHE  38           1HE      PHE  38  -2.763  -2.490  -4.611
  237    HE2  PHE  38           2HE      PHE  38  -1.398  -6.551  -4.855
  238    HZ   PHE  38           HZ       PHE  38  -2.992  -4.872  -3.969
  239    H    SER  39           H        SER  39   2.672  -0.261  -6.322
  240    HA   SER  39           HA       SER  39   4.432   0.281  -8.511
  241    HB2  SER  39           2HB      SER  39   5.664   0.280  -5.824
  242    HB3  SER  39           1HB      SER  39   5.549   1.583  -7.006
  243    HG   SER  39           HG       SER  39   4.129   2.276  -5.586
  244    H    ARG  40           H        ARG  40   6.940  -0.463  -6.967
  245    HA   ARG  40           HA       ARG  40   6.832  -3.401  -7.509
  246    HB2  ARG  40           2HB      ARG  40   8.334  -1.514  -8.918
  247    HB3  ARG  40           1HB      ARG  40   9.490  -2.246  -7.805
  248    HG2  ARG  40           2HG      ARG  40   9.535  -4.144  -9.013
  249    HG3  ARG  40           1HG      ARG  40   7.778  -4.284  -8.930
  250    HD2  ARG  40           2HD      ARG  40   8.422  -4.118 -11.264
  251    HD3  ARG  40           1HD      ARG  40   7.617  -2.620 -10.801
  252    HE   ARG  40           HE       ARG  40  10.443  -2.344 -10.408
  253   HH11  ARG  40          1HH2      ARG  40   9.346  -3.640 -13.185
  254   HH12  ARG  40          2HH2      ARG  40   9.638  -2.271 -14.205
  255   HH21  ARG  40          1HH1      ARG  40  10.259  -0.107 -11.566
  256   HH22  ARG  40          2HH1      ARG  40  10.155  -0.269 -13.287
  257    H    ALA  41           H        ALA  41   8.526  -4.616  -6.293
  258    HA   ALA  41           HA       ALA  41   8.585  -3.732  -3.521
  259    HB1  ALA  41           1HB      ALA  41   9.084  -5.906  -3.042
  260    HB2  ALA  41           2HB      ALA  41  10.323  -5.993  -4.292
  261    HB3  ALA  41           3HB      ALA  41   8.625  -6.197  -4.720
  262    H    GLY  42           H        GLY  42  10.837  -3.960  -2.356
  263    HA2  GLY  42           2HA      GLY  42  13.045  -3.161  -2.153
  264    HA3  GLY  42           1HA      GLY  42  13.180  -3.268  -3.906
  265    H    LYS  43           H        LYS  43  10.522  -1.519  -2.477
  266    HA   LYS  43           HA       LYS  43  11.832   1.013  -3.436
  267    HB2  LYS  43           2HB      LYS  43   9.984   1.091  -4.754
  268    HB3  LYS  43           1HB      LYS  43   9.141  -0.119  -3.797
  269    HG2  LYS  43           2HG      LYS  43   7.877   1.919  -3.622
  270    HG3  LYS  43           1HG      LYS  43   8.700   1.711  -2.080
  271    HD2  LYS  43           2HD      LYS  43   8.848   4.047  -3.021
  272    HD3  LYS  43           1HD      LYS  43  10.413   3.298  -2.705
  273    HE2  LYS  43           2HE      LYS  43  10.851   2.939  -4.974
  274    HE3  LYS  43           1HE      LYS  43   9.144   3.000  -5.413
  275    HZ1  LYS  43           3HZ      LYS  43  10.767   5.307  -4.482
  276    HZ2  LYS  43           1HZ      LYS  43   9.132   5.361  -4.929
  277    HZ3  LYS  43           2HZ      LYS  43  10.319   5.003  -6.092
  278    H    ILE  44           H        ILE  44  12.452   2.345  -1.808
  279    HA   ILE  44           HA       ILE  44  11.854   1.887   0.915
  280    HB   ILE  44           HB       ILE  44  13.725   3.302  -0.160
  281   HG12  ILE  44          2HG1      ILE  44  13.621   3.066   2.225
  282   HG13  ILE  44          1HG1      ILE  44  13.830   4.784   1.891
  283   HG21  ILE  44          1HG2      ILE  44  11.977   5.653   0.372
  284   HG22  ILE  44          2HG2      ILE  44  11.783   4.809  -1.164
  285   HG23  ILE  44          3HG2      ILE  44  13.348   5.492  -0.725
  286   HD11  ILE  44          3HD1      ILE  44  11.264   4.940   1.997
  287   HD12  ILE  44          1HD1      ILE  44  12.116   4.699   3.521
  288   HD13  ILE  44          2HD1      ILE  44  11.318   3.338   2.734
  289    H    CYS  45           H        CYS  45   9.524   1.555   0.851
  290    HA   CYS  45           HA       CYS  45   7.592   3.502   0.105
  291    HB2  CYS  45           2HB      CYS  45   6.172   2.299   1.911
  292    HB3  CYS  45           1HB      CYS  45   6.730   1.356   0.531
  293    H    ARG  46           H        ARG  46   9.298   3.028   3.186
  294    HA   ARG  46           HA       ARG  46   8.626   5.813   3.910
  295    HB2  ARG  46           2HB      ARG  46   6.836   4.101   4.771
  296    HB3  ARG  46           1HB      ARG  46   8.073   3.684   5.958
  297    HG2  ARG  46           2HG      ARG  46   8.169   5.953   6.764
  298    HG3  ARG  46           1HG      ARG  46   7.139   6.519   5.449
  299    HD2  ARG  46           2HD      ARG  46   5.828   6.287   7.514
  300    HD3  ARG  46           1HD      ARG  46   5.287   5.117   6.311
  301    HE   ARG  46           HE       ARG  46   6.939   3.529   7.619
  302   HH11  ARG  46          1HH1      ARG  46   7.097   5.849   9.694
  303   HH12  ARG  46          2HH1      ARG  46   6.019   5.240  10.906
  304   HH21  ARG  46          1HH2      ARG  46   4.636   2.824   8.838
  305   HH22  ARG  46          2HH2      ARG  46   4.626   3.527  10.421
  306    H    ILE  47           H        ILE  47   9.961   6.618   5.653
  307    HA   ILE  47           HA       ILE  47  12.578   5.292   5.743
  308    HB   ILE  47           HB       ILE  47  11.886   7.900   5.648
  309   HG12  ILE  47          2HG1      ILE  47  14.131   7.111   5.278
  310   HG13  ILE  47          1HG1      ILE  47  14.213   8.359   6.521
  311   HG21  ILE  47          1HG2      ILE  47  12.582   7.526   8.565
  312   HG22  ILE  47          2HG2      ILE  47  10.912   7.656   8.013
  313   HG23  ILE  47          3HG2      ILE  47  12.033   8.992   7.752
  314   HD11  ILE  47          3HD1      ILE  47  15.462   6.740   7.574
  315   HD12  ILE  47          1HD1      ILE  47  14.629   5.417   6.758
  316   HD13  ILE  47          2HD1      ILE  47  13.862   6.238   8.118
  317    H    ALA  48           H        ALA  48  13.420   4.223   7.523
  318    HA   ALA  48           HA       ALA  48  11.586   3.285   9.544
  319    HB1  ALA  48           1HB      ALA  48  14.307   2.744   8.707
  320    HB2  ALA  48           2HB      ALA  48  13.185   1.699   9.578
  321    HB3  ALA  48           3HB      ALA  48  14.204   2.833  10.465
  322    H    ARG  49           H        ARG  49  11.260   4.036  11.619
  323    HA   ARG  49           HA       ARG  49  12.438   6.657  12.288
  324    HB2  ARG  49           2HB      ARG  49  10.362   4.954  13.703
  325    HB3  ARG  49           1HB      ARG  49  10.857   6.566  14.218
  326    HG2  ARG  49           2HG      ARG  49   9.977   6.192  11.382
  327    HG3  ARG  49           1HG      ARG  49   8.746   6.238  12.645
  328    HD2  ARG  49           2HD      ARG  49  10.828   8.361  12.060
  329    HD3  ARG  49           1HD      ARG  49   9.084   8.501  11.839
  330    HE   ARG  49           HE       ARG  49  10.438   9.029  14.276
  331   HH11  ARG  49          1HH2      ARG  49   7.409   8.551  12.984
  332   HH12  ARG  49          2HH2      ARG  49   6.649   8.056  14.459
  333   HH21  ARG  49          1HH1      ARG  49   9.625   7.815  16.222
  334   HH22  ARG  49          2HH1      ARG  49   7.903   7.641  16.293
  335    H    GLY  50           H        GLY  50  14.500   6.457  13.084
  336    HA2  GLY  50           2HA      GLY  50  15.314   5.888  15.552
  337    HA3  GLY  50           1HA      GLY  50  15.108   4.240  14.960
  338    H    ASP  51           H        ASP  51  16.751   3.357  13.760
  339    HA   ASP  51           HA       ASP  51  18.553   4.851  12.110
  340    HB2  ASP  51           2HB      ASP  51  19.137   5.066  14.849
  341    HB3  ASP  51           1HB      ASP  51  20.279   3.873  14.228
  342    H    TRP  52           H        TRP  52  17.221   2.590  11.506
  343    HA   TRP  52           HA       TRP  52  19.381   0.533  11.501
  344    HB2  TRP  52           2HB      TRP  52  17.247  -1.085  11.430
  345    HB3  TRP  52           1HB      TRP  52  17.971  -0.563  12.947
  346    HD1  TRP  52           HD       TRP  52  15.410   1.082  10.526
  347    HE1  TRP  52           1HE      TRP  52  13.453   1.979  11.941
  348    HE3  TRP  52           3HE      TRP  52  16.958  -0.335  15.185
  349    HZ2  TRP  52           2HZ      TRP  52  12.651   2.090  14.681
  350    HZ3  TRP  52           3HZ      TRP  52  15.579   0.183  17.177
  351    HH2  TRP  52           HH       TRP  52  13.429   1.393  16.932
  352    H    ASN  53           H        ASN  53  16.413  -0.363  10.003
  353    HA   ASN  53           HA       ASN  53  17.574   0.389   7.350
  354    HB2  ASN  53           2HB      ASN  53  16.448  -2.146   8.388
  355    HB3  ASN  53           1HB      ASN  53  15.907  -1.690   6.772
  356   HD21  ASN  53          1HD2      ASN  53  17.256  -3.634   6.073
  357   HD22  ASN  53          2HD2      ASN  53  18.924  -3.414   5.849
  358    H    ASP  54           H        ASP  54  16.124   1.228   5.800
  359    HA   ASP  54           HA       ASP  54  13.735   2.494   6.884
  360    HB2  ASP  54           2HB      ASP  54  14.121   2.377   3.933
  361    HB3  ASP  54           1HB      ASP  54  13.714   3.750   4.962
  362    H    ASP  55           H        ASP  55  11.697   2.310   5.248
  363    HA   ASP  55           HA       ASP  55  10.949  -0.551   5.368
  364    HB2  ASP  55           2HB      ASP  55   9.173   1.747   4.531
  365    HB3  ASP  55           1HB      ASP  55   8.692   0.183   5.188
  366    H    ARG  56           H        ARG  56  10.791  -1.806   3.559
  367    HA   ARG  56           HA       ARG  56  11.228  -0.471   0.921
  368    HB2  ARG  56           2HB      ARG  56  12.690  -2.445   2.046
  369    HB3  ARG  56           1HB      ARG  56  11.482  -3.418   1.207
  370    HG2  ARG  56           2HG      ARG  56  13.295  -3.090  -0.326
  371    HG3  ARG  56           1HG      ARG  56  11.974  -2.055  -0.869
  372    HD2  ARG  56           2HD      ARG  56  14.310  -0.992  -0.792
  373    HD3  ARG  56           1HD      ARG  56  13.011  -0.101  -0.002
  374    HE   ARG  56           HE       ARG  56  14.220  -0.360   1.995
  375   HH11  ARG  56          1HH1      ARG  56  15.269  -2.615  -0.370
  376   HH12  ARG  56          2HH1      ARG  56  16.240  -3.532   0.732
  377   HH21  ARG  56          1HH2      ARG  56  15.319  -1.674   3.510
  378   HH22  ARG  56          2HH2      ARG  56  16.270  -3.000   2.926
  379    H    CYS  57           H        CYS  57   9.699  -0.652  -0.631
  380    HA   CYS  57           HA       CYS  57   7.064  -1.588  -0.017
  381    HB2  CYS  57           2HB      CYS  57   8.355  -0.194  -2.139
  382    HB3  CYS  57           1HB      CYS  57   7.513  -1.564  -2.851
  383    H    THR  58           H        THR  58   6.032  -3.497  -0.660
  384    HA   THR  58           HA       THR  58   7.788  -5.808  -1.066
  385    HB   THR  58           HB       THR  58   5.075  -6.578  -1.280
  386    HG1  THR  58           1HG      THR  58   4.477  -4.566  -0.510
  387   HG21  THR  58          3HG2      THR  58   5.577  -7.302   1.166
  388   HG22  THR  58          1HG2      THR  58   7.189  -6.658   0.861
  389   HG23  THR  58          2HG2      THR  58   6.568  -7.980  -0.126
  390    H    GLY  59           H        GLY  59   5.746  -3.753  -2.989
  391    HA2  GLY  59           2HA      GLY  59   5.931  -3.686  -5.402
  392    HA3  GLY  59           1HA      GLY  59   6.477  -5.364  -5.376
  393    H    GLN  60           H        GLN  60   4.541  -6.658  -3.951
  394    HA   GLN  60           HA       GLN  60   2.183  -6.326  -5.729
  395    HB2  GLN  60           2HB      GLN  60   2.971  -8.590  -3.870
  396    HB3  GLN  60           1HB      GLN  60   1.549  -8.585  -4.915
  397    HG2  GLN  60           2HG      GLN  60   4.088  -7.934  -6.279
  398    HG3  GLN  60           1HG      GLN  60   3.980  -9.583  -5.659
  399   HE21  GLN  60          1HE2      GLN  60   1.301 -10.219  -6.020
  400   HE22  GLN  60          2HE2      GLN  60   0.890 -10.132  -7.665
  401    H    SER  61           H        SER  61   3.099  -5.134  -2.825
  402    HA   SER  61           HA       SER  61   0.366  -5.431  -1.644
  403    HB2  SER  61           2HB      SER  61   2.562  -4.237  -0.040
  404    HB3  SER  61           1HB      SER  61   1.296  -5.359   0.450
  405    HG   SER  61           HG       SER  61   2.486  -7.015  -0.226
  406    H    ALA  62           H        ALA  62  -0.926  -3.664  -1.893
  407    HA   ALA  62           HA       ALA  62  -0.104  -1.223  -3.060
  408    HB1  ALA  62           1HB      ALA  62  -2.502  -2.206  -1.668
  409    HB2  ALA  62           2HB      ALA  62  -2.372  -1.179  -3.095
  410    HB3  ALA  62           3HB      ALA  62  -2.240  -0.471  -1.486
  411    H    ASP  63           H        ASP  63  -0.619  -1.990   0.394
  412    HA   ASP  63           HA       ASP  63   0.488   0.594   1.205
  413    HB2  ASP  63           2HB      ASP  63  -0.067  -1.864   2.899
  414    HB3  ASP  63           1HB      ASP  63   0.174  -0.216   3.482
  415    H    CYS  64           H        CYS  64   2.171  -0.081   3.309
  416    HA   CYS  64           HA       CYS  64   4.357  -1.595   1.949
  417    HB2  CYS  64           2HB      CYS  64   5.184   0.565   1.765
  418    HB3  CYS  64           1HB      CYS  64   4.382   1.119   3.228
  419    HA   PRO  65           HA       PRO  65   4.399  -3.899   5.658
  420    HB2  PRO  65           2HB      PRO  65   6.682  -5.285   5.060
  421    HB3  PRO  65           1HB      PRO  65   5.115  -5.667   4.351
  422    HG2  PRO  65           2HG      PRO  65   7.481  -4.349   3.124
  423    HG3  PRO  65           1HG      PRO  65   6.167  -5.250   2.347
  424    HD2  PRO  65           2HD      PRO  65   6.430  -2.435   2.438
  425    HD3  PRO  65           1HD      PRO  65   4.985  -3.341   1.940
  426    H    ARG  66           H        ARG  66   5.537  -3.795   7.668
  427    HA   ARG  66           HA       ARG  66   8.126  -2.347   7.703
  428    HB2  ARG  66           2HB      ARG  66   6.663  -1.308   9.894
  429    HB3  ARG  66           1HB      ARG  66   7.228  -0.432   8.473
  430    HG2  ARG  66           2HG      ARG  66   4.882  -0.058   8.528
  431    HG3  ARG  66           1HG      ARG  66   5.112  -1.301   7.298
  432    HD2  ARG  66           2HD      ARG  66   3.470  -2.363   8.493
  433    HD3  ARG  66           1HD      ARG  66   4.842  -2.878   9.475
  434    HE   ARG  66           HE       ARG  66   2.734  -1.160  10.369
  435   HH11  ARG  66          1HH2      ARG  66   4.505  -2.622  12.241
  436   HH12  ARG  66          2HH2      ARG  66   5.442  -1.350  12.950
  437   HH21  ARG  66          1HH1      ARG  66   4.657   0.965  10.491
  438   HH22  ARG  66          2HH1      ARG  66   5.529   0.680  11.961
  439    H    ASN  67           H        ASN  67   9.446  -2.963   9.406
  440    HA   ASN  67           HA       ASN  67   8.872  -5.450  10.728
  441    HB2  ASN  67           2HB      ASN  67  10.970  -5.012  11.959
  442    HB3  ASN  67           1HB      ASN  67  11.175  -4.670  10.241
  443   HD21  ASN  67          1HD2      ASN  67  12.963  -3.161  10.902
  444   HD22  ASN  67          2HD2      ASN  67  12.571  -1.613  11.478
  445    HA   PRO  68           HA       PRO  68   6.800  -4.031  14.339
  446    HB2  PRO  68           2HB      PRO  68   7.682  -5.878  16.173
  447    HB3  PRO  68           1HB      PRO  68   6.505  -6.245  14.900
  448    HG2  PRO  68           2HG      PRO  68   9.380  -7.013  15.073
  449    HG3  PRO  68           1HG      PRO  68   8.055  -7.815  14.216
  450    HD2  PRO  68           2HD      PRO  68  10.033  -6.158  13.050
  451    HD3  PRO  68           1HD      PRO  68   8.541  -6.715  12.266
  452    H    TRP  69           H        TRP  69   9.331  -2.613  13.857
  453    HA   TRP  69           HA       TRP  69  10.042  -2.024  16.690
  454    HB2  TRP  69           2HB      TRP  69  12.046  -2.133  14.417
  455    HB3  TRP  69           1HB      TRP  69  12.390  -1.869  16.128
  456    HD1  TRP  69           HD       TRP  69  12.681  -4.496  13.752
  457    HE1  TRP  69           1HE      TRP  69  12.515  -6.833  14.831
  458    HE3  TRP  69           3HE      TRP  69  10.663  -3.236  18.264
  459    HZ2  TRP  69           2HZ      TRP  69  11.640  -8.009  17.288
  460    HZ3  TRP  69           3HZ      TRP  69  10.172  -4.980  19.955
  461    HH2  TRP  69           HH       TRP  69  10.657  -7.363  19.474
  462    H    ASN  70           H        ASN  70   8.280  -0.725  14.639
  463    HA   ASN  70           HA       ASN  70   9.700   1.905  14.526
  464    HB2  ASN  70           2HB      ASN  70   8.005   0.484  12.511
  465    HB3  ASN  70           1HB      ASN  70   7.932   2.246  12.574
  466   HD21  ASN  70          1HD2      ASN  70   9.869  -0.464  11.570
  467   HD22  ASN  70          2HD2      ASN  70  11.197   0.429  11.007
  468    H    GLY  71           H        GLY  71   6.380   1.613  13.570
  469    HA2  GLY  71           2HA      GLY  71   5.069   1.978  16.055
  470    HA3  GLY  71           1HA      GLY  71   5.493   3.576  15.442
  Start of MODEL   13
    1    H    GLY   1           1HT      GLY   1  -7.388  -6.732   4.115
    2    HA2  GLY   1           1HA      GLY   1  -9.637  -5.543   5.275
    3    HA3  GLY   1           2HA      GLY   1  -9.109  -5.468   3.594
    4    H    LYS   2           H        LYS   2 -11.803  -5.501   4.040
    5    HA   LYS   2           HA       LYS   2 -12.594  -8.314   3.399
    6    HB2  LYS   2           2HB      LYS   2 -13.976  -6.134   4.934
    7    HB3  LYS   2           1HB      LYS   2 -14.936  -7.361   4.107
    8    HG2  LYS   2           2HG      LYS   2 -13.197  -8.997   5.300
    9    HG3  LYS   2           1HG      LYS   2 -13.089  -7.651   6.435
   10    HD2  LYS   2           2HD      LYS   2 -15.815  -8.514   5.574
   11    HD3  LYS   2           1HD      LYS   2 -14.946  -9.555   6.704
   12    HE2  LYS   2           2HE      LYS   2 -14.482  -7.354   8.017
   13    HE3  LYS   2           1HE      LYS   2 -15.813  -6.692   7.068
   14    HZ1  LYS   2           3HZ      LYS   2 -15.970  -9.159   8.713
   15    HZ2  LYS   2           1HZ      LYS   2 -17.246  -8.428   7.871
   16    HZ3  LYS   2           2HZ      LYS   2 -16.542  -7.634   9.196
   17    H    GLU   3           H        GLU   3 -14.845  -5.710   2.985
   18    HA   GLU   3           HA       GLU   3 -14.541  -6.010   0.027
   19    HB2  GLU   3           2HB      GLU   3 -16.880  -5.824   1.833
   20    HB3  GLU   3           1HB      GLU   3 -16.999  -4.874   0.351
   21    HG2  GLU   3           2HG      GLU   3 -15.912  -7.557  -0.105
   22    HG3  GLU   3           1HG      GLU   3 -17.543  -7.584   0.566
   23    H    CYS   4           H        CYS   4 -13.116  -4.113   1.889
   24    HA   CYS   4           HA       CYS   4 -13.896  -1.605   0.458
   25    HB2  CYS   4           2HB      CYS   4 -13.284  -1.966   3.403
   26    HB3  CYS   4           1HB      CYS   4 -13.192  -0.397   2.610
   27    H    ASP   5           H        ASP   5 -12.165  -1.884  -0.988
   28    HA   ASP   5           HA       ASP   5  -9.470  -2.471  -0.116
   29    HB2  ASP   5           2HB      ASP   5 -10.376  -2.917  -2.425
   30    HB3  ASP   5           1HB      ASP   5 -10.354  -1.177  -2.712
   31    H    CYS   6           H        CYS   6 -11.344   0.467  -0.456
   32    HA   CYS   6           HA       CYS   6  -8.888   2.002   0.295
   33    HB2  CYS   6           2HB      CYS   6  -9.646   3.872  -1.003
   34    HB3  CYS   6           1HB      CYS   6  -9.767   2.456  -2.046
   35    H    SER   7           H        SER   7  -9.376   3.983   1.579
   36    HA   SER   7           HA       SER   7 -11.751   3.521   3.335
   37    HB2  SER   7           2HB      SER   7  -9.574   3.338   4.485
   38    HB3  SER   7           1HB      SER   7  -9.142   4.954   3.935
   39    HG   SER   7           HG       SER   7 -10.833   5.779   5.151
   40    H    SER   8           H        SER   8 -11.114   5.261   0.754
   41    HA   SER   8           HA       SER   8 -12.342   7.751   1.861
   42    HB2  SER   8           2HB      SER   8 -11.072   8.074  -0.741
   43    HB3  SER   8           1HB      SER   8 -10.836   9.000   0.738
   44    HG   SER   8           HG       SER   8  -9.093   7.893   1.088
   45    HA   PRO   9           HA       PRO   9 -15.636   6.497  -0.864
   46    HB2  PRO   9           2HB      PRO   9 -17.297   8.604  -0.261
   47    HB3  PRO   9           1HB      PRO   9 -17.095   7.187   0.785
   48    HG2  PRO   9           2HG      PRO   9 -16.026   9.948   1.138
   49    HG3  PRO   9           1HG      PRO   9 -16.394   8.723   2.363
   50    HD2  PRO   9           2HD      PRO   9 -13.816   9.374   1.388
   51    HD3  PRO   9           1HD      PRO   9 -14.238   7.948   2.361
   52    H    GLU  10           H        GLU  10 -14.477   9.876  -0.769
   53    HA   GLU  10           HA       GLU  10 -15.550  10.549  -3.371
   54    HB2  GLU  10           2HB      GLU  10 -14.400  12.615  -3.136
   55    HB3  GLU  10           1HB      GLU  10 -14.857  12.166  -1.494
   56    HG2  GLU  10           2HG      GLU  10 -12.540  11.037  -1.354
   57    HG3  GLU  10           1HG      GLU  10 -12.144  11.966  -2.800
   58    H    ASN  11           H        ASN  11 -13.066   8.487  -2.504
   59    HA   ASN  11           HA       ASN  11 -11.143   9.144  -4.567
   60    HB2  ASN  11           2HB      ASN  11 -10.524   7.832  -2.565
   61    HB3  ASN  11           1HB      ASN  11 -11.588   6.529  -3.097
   62   HD21  ASN  11          1HD2      ASN  11  -8.944   5.816  -2.818
   63   HD22  ASN  11          2HD2      ASN  11  -8.195   5.662  -4.334
   64    HA   PRO  12           HA       PRO  12 -13.644   7.347  -7.810
   65    HB2  PRO  12           2HB      PRO  12 -11.925   8.022  -9.845
   66    HB3  PRO  12           1HB      PRO  12 -13.065   9.162  -9.110
   67    HG2  PRO  12           2HG      PRO  12 -10.108   8.972  -8.755
   68    HG3  PRO  12           1HG      PRO  12 -11.169  10.383  -8.600
   69    HD2  PRO  12           2HD      PRO  12 -10.103   8.876  -6.459
   70    HD3  PRO  12           1HD      PRO  12 -11.429  10.054  -6.346
   71    H    CYS  13           H        CYS  13 -10.172   6.761  -7.384
   72    HA   CYS  13           HA       CYS  13  -9.902   4.553  -9.147
   73    HB2  CYS  13           2HB      CYS  13  -8.412   5.669  -6.852
   74    HB3  CYS  13           1HB      CYS  13  -8.149   3.948  -7.142
   75    H    CYS  14           H        CYS  14 -11.663   4.821  -6.219
   76    HA   CYS  14           HA       CYS  14 -12.034   1.867  -6.259
   77    HB2  CYS  14           2HB      CYS  14 -11.894   1.698  -3.876
   78    HB3  CYS  14           1HB      CYS  14 -10.479   2.617  -4.385
   79    H    ASP  15           H        ASP  15 -14.138   1.229  -6.049
   80    HA   ASP  15           HA       ASP  15 -16.240   3.156  -6.371
   81    HB2  ASP  15           2HB      ASP  15 -16.115   0.590  -6.980
   82    HB3  ASP  15           1HB      ASP  15 -16.767   0.387  -5.349
   83    H    ALA  16           H        ALA  16 -17.310   4.287  -4.834
   84    HA   ALA  16           HA       ALA  16 -16.647   4.048  -2.036
   85    HB1  ALA  16           1HB      ALA  16 -17.345   6.205  -2.643
   86    HB2  ALA  16           2HB      ALA  16 -18.785   5.559  -1.857
   87    HB3  ALA  16           3HB      ALA  16 -18.685   5.599  -3.617
   88    H    ALA  17           H        ALA  17 -19.222   2.787  -4.083
   89    HA   ALA  17           HA       ALA  17 -20.988   1.928  -2.000
   90    HB1  ALA  17           1HB      ALA  17 -21.267   0.048  -4.026
   91    HB2  ALA  17           2HB      ALA  17 -20.673   1.475  -4.876
   92    HB3  ALA  17           3HB      ALA  17 -22.148   1.573  -3.913
   93    H    THR  18           H        THR  18 -18.620   0.002  -3.885
   94    HA   THR  18           HA       THR  18 -18.620  -1.995  -1.688
   95    HB   THR  18           HB       THR  18 -18.854  -2.910  -3.937
   96    HG1  THR  18           1HG      THR  18 -17.161  -3.681  -2.224
   97   HG21  THR  18          3HG2      THR  18 -16.291  -1.396  -4.487
   98   HG22  THR  18          1HG2      THR  18 -17.863  -1.126  -5.238
   99   HG23  THR  18          2HG2      THR  18 -16.971  -2.610  -5.569
  100    H    CYS  19           H        CYS  19 -17.230   0.792  -1.913
  101    HA   CYS  19           HA       CYS  19 -15.081   1.713  -1.510
  102    HB2  CYS  19           2HB      CYS  19 -14.105   0.399   0.607
  103    HB3  CYS  19           1HB      CYS  19 -15.462   1.501   0.741
  104    H    LYS  20           H        LYS  20 -15.015  -0.492  -3.490
  105    HA   LYS  20           HA       LYS  20 -12.243  -1.472  -2.903
  106    HB2  LYS  20           2HB      LYS  20 -14.519  -2.778  -4.396
  107    HB3  LYS  20           1HB      LYS  20 -12.845  -3.288  -4.623
  108    HG2  LYS  20           2HG      LYS  20 -12.894  -3.309  -1.948
  109    HG3  LYS  20           1HG      LYS  20 -14.611  -3.586  -2.237
  110    HD2  LYS  20           2HD      LYS  20 -14.231  -5.717  -2.851
  111    HD3  LYS  20           1HD      LYS  20 -13.011  -5.212  -4.021
  112    HE2  LYS  20           2HE      LYS  20 -11.368  -5.010  -2.137
  113    HE3  LYS  20           1HE      LYS  20 -12.589  -5.680  -1.055
  114    HZ1  LYS  20           3HZ      LYS  20 -11.227  -6.986  -3.327
  115    HZ2  LYS  20           1HZ      LYS  20 -12.701  -7.577  -2.735
  116    HZ3  LYS  20           2HZ      LYS  20 -11.343  -7.509  -1.715
  117    H    LEU  21           H        LEU  21 -11.501  -2.275  -5.447
  118    HA   LEU  21           HA       LEU  21 -11.055   0.315  -6.713
  119    HB2  LEU  21           2HB      LEU  21 -10.224  -2.512  -7.378
  120    HB3  LEU  21           1HB      LEU  21  -9.876  -1.162  -8.459
  121    HG   LEU  21           HG       LEU  21  -9.178  -0.366  -5.807
  122   HD11  LEU  21          1HD1      LEU  21  -9.075  -2.893  -5.478
  123   HD12  LEU  21          2HD1      LEU  21  -7.583  -2.018  -5.142
  124   HD13  LEU  21          3HD1      LEU  21  -7.764  -2.902  -6.657
  125   HD21  LEU  21          3HD2      LEU  21  -8.115  -0.426  -8.484
  126   HD22  LEU  21          1HD2      LEU  21  -6.864  -0.932  -7.348
  127   HD23  LEU  21          2HD2      LEU  21  -7.661   0.627  -7.144
  128    H    ARG  22           H        ARG  22 -12.522   1.222  -8.045
  129    HA   ARG  22           HA       ARG  22 -14.697  -0.336  -9.198
  130    HB2  ARG  22           2HB      ARG  22 -14.318   2.339  -8.550
  131    HB3  ARG  22           1HB      ARG  22 -14.320   2.340 -10.315
  132    HG2  ARG  22           2HG      ARG  22 -16.396   0.640  -9.082
  133    HG3  ARG  22           1HG      ARG  22 -16.585   2.368  -8.785
  134    HD2  ARG  22           2HD      ARG  22 -15.911   2.261 -11.475
  135    HD3  ARG  22           1HD      ARG  22 -16.960   0.858 -11.266
  136    HE   ARG  22           HE       ARG  22 -17.811   3.586 -10.383
  137   HH11  ARG  22          1HH1      ARG  22 -18.117   1.744 -13.086
  138   HH12  ARG  22          2HH1      ARG  22 -19.836   1.552 -13.018
  139   HH21  ARG  22          1HH2      ARG  22 -20.120   2.844  -9.813
  140   HH22  ARG  22          2HH2      ARG  22 -20.970   2.175 -11.165
  141    HA   PRO  23           HA       PRO  23 -12.405   0.651 -13.273
  142    HB2  PRO  23           2HB      PRO  23  -9.922   1.817 -13.081
  143    HB3  PRO  23           1HB      PRO  23 -11.432   2.736 -13.206
  144    HG2  PRO  23           2HG      PRO  23  -9.689   2.310 -10.828
  145    HG3  PRO  23           1HG      PRO  23 -10.809   3.637 -11.175
  146    HD2  PRO  23           2HD      PRO  23 -11.293   1.454  -9.433
  147    HD3  PRO  23           1HD      PRO  23 -12.502   2.620 -10.012
  148    H    GLY  24           H        GLY  24  -9.789   0.146 -14.098
  149    HA2  GLY  24           2HA      GLY  24  -9.396  -2.590 -13.032
  150    HA3  GLY  24           1HA      GLY  24  -8.702  -1.956 -14.524
  151    H    ALA  25           H        ALA  25  -8.621  -0.719 -11.169
  152    HA   ALA  25           HA       ALA  25  -5.666  -0.472 -11.452
  153    HB1  ALA  25           1HB      ALA  25  -7.771   1.004  -9.976
  154    HB2  ALA  25           2HB      ALA  25  -6.249   1.589 -10.647
  155    HB3  ALA  25           3HB      ALA  25  -6.265   0.764  -9.089
  156    H    GLN  26           H        GLN  26  -4.277  -1.507  -9.957
  157    HA   GLN  26           HA       GLN  26  -5.296  -3.903  -8.706
  158    HB2  GLN  26           2HB      GLN  26  -2.790  -2.959  -9.439
  159    HB3  GLN  26           1HB      GLN  26  -2.728  -2.926  -7.676
  160    HG2  GLN  26           2HG      GLN  26  -2.777  -5.194  -7.509
  161    HG3  GLN  26           1HG      GLN  26  -3.957  -5.357  -8.809
  162   HE21  GLN  26          1HE2      GLN  26  -2.377  -7.204  -9.444
  163   HE22  GLN  26          2HE2      GLN  26  -1.060  -6.787 -10.430
  164    H    CYS  27           H        CYS  27  -4.213  -0.748  -7.461
  165    HA   CYS  27           HA       CYS  27  -5.826  -1.280  -5.018
  166    HB2  CYS  27           2HB      CYS  27  -3.776  -1.661  -4.013
  167    HB3  CYS  27           1HB      CYS  27  -2.896  -0.682  -5.178
  168    H    GLY  28           H        GLY  28  -6.609   0.685  -4.024
  169    HA2  GLY  28           2HA      GLY  28  -6.755   2.945  -5.940
  170    HA3  GLY  28           1HA      GLY  28  -7.837   2.695  -4.572
  171    H    GLU  29           H        GLU  29  -5.812   2.133  -2.654
  172    HA   GLU  29           HA       GLU  29  -4.066   4.508  -2.645
  173    HB2  GLU  29           2HB      GLU  29  -4.923   5.321  -0.542
  174    HB3  GLU  29           1HB      GLU  29  -6.263   5.205  -1.670
  175    HG2  GLU  29           2HG      GLU  29  -7.203   4.149   0.160
  176    HG3  GLU  29           1HG      GLU  29  -6.466   2.764  -0.649
  177    H    GLY  30           H        GLY  30  -2.283   4.255  -1.202
  178    HA2  GLY  30           2HA      GLY  30  -1.891   2.481   0.874
  179    HA3  GLY  30           1HA      GLY  30  -1.643   1.477  -0.557
  180    H    LEU  31           H        LEU  31   0.423   2.102   1.333
  181    HA   LEU  31           HA       LEU  31   2.078   4.288   0.564
  182    HB2  LEU  31           2HB      LEU  31   2.776   1.592   1.759
  183    HB3  LEU  31           1HB      LEU  31   3.914   2.933   1.620
  184    HG   LEU  31           HG       LEU  31   1.425   3.834   2.787
  185   HD11  LEU  31          1HD1      LEU  31   2.231   1.199   3.555
  186   HD12  LEU  31          2HD1      LEU  31   0.930   2.181   4.228
  187   HD13  LEU  31          3HD1      LEU  31   2.556   2.289   4.903
  188   HD21  LEU  31          3HD2      LEU  31   3.623   3.852   4.613
  189   HD22  LEU  31          1HD2      LEU  31   2.966   5.204   3.690
  190   HD23  LEU  31          2HD2      LEU  31   4.251   4.209   3.004
  191    H    CYS  32           H        CYS  32   1.640   1.100  -0.820
  192    HA   CYS  32           HA       CYS  32   3.829   1.684  -2.766
  193    HB2  CYS  32           2HB      CYS  32   4.020  -0.417  -1.427
  194    HB3  CYS  32           1HB      CYS  32   2.507  -0.969  -2.143
  195    H    CYS  33           H        CYS  33   0.935   2.623  -2.801
  196    HA   CYS  33           HA       CYS  33  -0.029   1.187  -5.220
  197    HB2  CYS  33           2HB      CYS  33  -1.367   3.297  -3.504
  198    HB3  CYS  33           1HB      CYS  33  -2.119   2.473  -4.871
  199    H    GLU  34           H        GLU  34   1.223   1.990  -6.892
  200    HA   GLU  34           HA       GLU  34   1.472   4.931  -7.197
  201    HB2  GLU  34           2HB      GLU  34   2.985   2.576  -8.102
  202    HB3  GLU  34           1HB      GLU  34   2.740   3.782  -9.364
  203    HG2  GLU  34           2HG      GLU  34   3.564   5.531  -7.751
  204    HG3  GLU  34           1HG      GLU  34   3.977   4.228  -6.636
  205    H    GLN  35           H        GLN  35  -0.088   5.922  -8.382
  206    HA   GLN  35           HA       GLN  35  -1.741   6.255 -10.010
  207    HB2  GLN  35           2HB      GLN  35  -0.210   4.008 -11.351
  208    HB3  GLN  35           1HB      GLN  35  -1.487   4.941 -12.130
  209    HG2  GLN  35           2HG      GLN  35  -0.005   6.991 -11.285
  210    HG3  GLN  35           1HG      GLN  35   1.276   5.781 -11.364
  211   HE21  GLN  35          1HE2      GLN  35   2.209   6.957 -13.237
  212   HE22  GLN  35          2HE2      GLN  35   1.499   6.811 -14.772
  213    H    CYS  36           H        CYS  36  -2.171   4.435  -7.765
  214    HA   CYS  36           HA       CYS  36  -3.866   3.004  -7.026
  215    HB2  CYS  36           2HB      CYS  36  -4.941   3.343  -9.844
  216    HB3  CYS  36           1HB      CYS  36  -5.829   2.682  -8.466
  217    H    LYS  37           H        LYS  37  -1.399   2.005  -8.203
  218    HA   LYS  37           HA       LYS  37  -2.362  -0.724  -8.900
  219    HB2  LYS  37           2HB      LYS  37  -0.905   1.089 -10.645
  220    HB3  LYS  37           1HB      LYS  37   0.020  -0.381 -10.345
  221    HG2  LYS  37           2HG      LYS  37  -1.676  -1.773 -11.208
  222    HG3  LYS  37           1HG      LYS  37  -2.905  -0.517 -11.057
  223    HD2  LYS  37           2HD      LYS  37  -2.344  -0.671 -13.392
  224    HD3  LYS  37           1HD      LYS  37  -1.614   0.815 -12.782
  225    HE2  LYS  37           2HE      LYS  37   0.405  -0.915 -12.290
  226    HE3  LYS  37           1HE      LYS  37  -0.314  -1.694 -13.699
  227    HZ1  LYS  37           3HZ      LYS  37   1.285   0.622 -13.592
  228    HZ2  LYS  37           1HZ      LYS  37  -0.236   1.033 -14.219
  229    HZ3  LYS  37           2HZ      LYS  37   0.683  -0.191 -14.957
  230    H    PHE  38           H        PHE  38  -0.461  -2.324  -8.656
  231    HA   PHE  38           HA       PHE  38   0.817  -1.792  -6.082
  232    HB2  PHE  38           2HB      PHE  38   0.814  -4.124  -7.993
  233    HB3  PHE  38           1HB      PHE  38   1.911  -4.081  -6.617
  234    HD1  PHE  38           2HD      PHE  38  -1.343  -2.418  -6.375
  235    HD2  PHE  38           1HD      PHE  38   0.811  -6.055  -5.620
  236    HE1  PHE  38           2HE      PHE  38  -3.164  -3.189  -4.880
  237    HE2  PHE  38           1HE      PHE  38  -1.013  -6.826  -4.128
  238    HZ   PHE  38           HZ       PHE  38  -2.999  -5.391  -3.756
  239    H    SER  39           H        SER  39   2.581  -0.436  -6.097
  240    HA   SER  39           HA       SER  39   4.290  -0.032  -8.352
  241    HB2  SER  39           2HB      SER  39   5.488   0.218  -5.639
  242    HB3  SER  39           1HB      SER  39   5.492   1.363  -6.977
  243    HG   SER  39           HG       SER  39   3.871   2.290  -6.036
  244    H    ARG  40           H        ARG  40   6.879  -0.585  -7.715
  245    HA   ARG  40           HA       ARG  40   6.865  -3.533  -7.807
  246    HB2  ARG  40           2HB      ARG  40   9.337  -1.808  -7.916
  247    HB3  ARG  40           1HB      ARG  40   9.059  -3.383  -8.659
  248    HG2  ARG  40           2HG      ARG  40   7.589  -0.851  -9.444
  249    HG3  ARG  40           1HG      ARG  40   8.993  -1.487 -10.301
  250    HD2  ARG  40           2HD      ARG  40   7.840  -3.409 -11.023
  251    HD3  ARG  40           1HD      ARG  40   6.584  -3.224  -9.797
  252    HE   ARG  40           HE       ARG  40   5.745  -1.272 -11.113
  253   HH11  ARG  40          1HH2      ARG  40   6.530  -4.086 -12.617
  254   HH12  ARG  40          2HH2      ARG  40   6.732  -3.427 -14.207
  255   HH21  ARG  40          1HH1      ARG  40   6.637  -0.128 -13.139
  256   HH22  ARG  40          2HH1      ARG  40   6.793  -1.186 -14.502
  257    H    ALA  41           H        ALA  41   8.312  -4.788  -6.403
  258    HA   ALA  41           HA       ALA  41   8.129  -3.986  -3.633
  259    HB1  ALA  41           1HB      ALA  41   8.250  -6.387  -4.709
  260    HB2  ALA  41           2HB      ALA  41   8.993  -6.104  -3.134
  261    HB3  ALA  41           3HB      ALA  41   9.992  -6.146  -4.587
  262    H    GLY  42           H        GLY  42  10.158  -3.971  -2.216
  263    HA2  GLY  42           2HA      GLY  42  12.270  -3.055  -1.719
  264    HA3  GLY  42           1HA      GLY  42  12.678  -3.227  -3.429
  265    H    LYS  43           H        LYS  43   9.747  -1.583  -2.539
  266    HA   LYS  43           HA       LYS  43  10.992   0.954  -3.542
  267    HB2  LYS  43           2HB      LYS  43   9.085   0.525  -4.838
  268    HB3  LYS  43           1HB      LYS  43   8.166  -0.061  -3.465
  269    HG2  LYS  43           2HG      LYS  43   7.348   1.993  -3.053
  270    HG3  LYS  43           1HG      LYS  43   8.970   2.678  -3.013
  271    HD2  LYS  43           2HD      LYS  43   8.037   1.967  -5.713
  272    HD3  LYS  43           1HD      LYS  43   7.098   3.243  -4.937
  273    HE2  LYS  43           2HE      LYS  43   8.737   4.682  -5.505
  274    HE3  LYS  43           1HE      LYS  43   9.779   3.848  -4.352
  275    HZ1  LYS  43           3HZ      LYS  43   9.656   2.290  -6.656
  276    HZ2  LYS  43           1HZ      LYS  43  10.991   3.138  -6.042
  277    HZ3  LYS  43           2HZ      LYS  43   9.950   3.887  -7.156
  278    H    ILE  44           H        ILE  44  11.430   2.546  -2.155
  279    HA   ILE  44           HA       ILE  44  11.237   2.383   0.626
  280    HB   ILE  44           HB       ILE  44  11.639   4.587  -1.334
  281   HG12  ILE  44          2HG1      ILE  44  13.420   3.109  -0.298
  282   HG13  ILE  44          1HG1      ILE  44  13.688   4.844  -0.097
  283   HG21  ILE  44          1HG2      ILE  44  10.060   5.687   0.174
  284   HG22  ILE  44          2HG2      ILE  44  11.686   6.280   0.510
  285   HG23  ILE  44          3HG2      ILE  44  10.944   5.090   1.579
  286   HD11  ILE  44          3HD1      ILE  44  14.052   3.605   2.026
  287   HD12  ILE  44          1HD1      ILE  44  12.383   3.037   1.960
  288   HD13  ILE  44          2HD1      ILE  44  12.723   4.757   2.154
  289    H    CYS  45           H        CYS  45   9.517   2.246   1.895
  290    HA   CYS  45           HA       CYS  45   7.056   3.754   1.130
  291    HB2  CYS  45           2HB      CYS  45   5.961   1.913   2.662
  292    HB3  CYS  45           1HB      CYS  45   6.317   1.555   0.973
  293    H    ARG  46           H        ARG  46   9.491   3.170   3.473
  294    HA   ARG  46           HA       ARG  46   8.415   5.278   5.167
  295    HB2  ARG  46           2HB      ARG  46   8.101   2.430   5.885
  296    HB3  ARG  46           1HB      ARG  46   8.804   3.436   7.152
  297    HG2  ARG  46           2HG      ARG  46   6.902   5.071   6.762
  298    HG3  ARG  46           1HG      ARG  46   6.158   3.840   5.738
  299    HD2  ARG  46           2HD      ARG  46   6.211   2.248   7.641
  300    HD3  ARG  46           1HD      ARG  46   6.896   3.514   8.661
  301    HE   ARG  46           HE       ARG  46   4.612   4.704   7.750
  302   HH11  ARG  46          1HH1      ARG  46   3.964   1.622   7.472
  303   HH12  ARG  46          2HH1      ARG  46   3.004   1.412   8.898
  304   HH21  ARG  46          1HH2      ARG  46   3.947   4.443  10.298
  305   HH22  ARG  46          2HH2      ARG  46   2.995   3.010  10.500
  306    H    ILE  47           H        ILE  47   9.969   5.727   7.008
  307    HA   ILE  47           HA       ILE  47  12.734   4.969   6.164
  308    HB   ILE  47           HB       ILE  47  11.860   7.454   6.132
  309   HG12  ILE  47          2HG1      ILE  47  14.443   7.118   7.616
  310   HG13  ILE  47          1HG1      ILE  47  14.286   6.402   6.012
  311   HG21  ILE  47          1HG2      ILE  47  12.916   7.663   8.884
  312   HG22  ILE  47          2HG2      ILE  47  11.319   6.924   8.762
  313   HG23  ILE  47          3HG2      ILE  47  11.595   8.542   8.115
  314   HD11  ILE  47          3HD1      ILE  47  14.099   9.306   6.799
  315   HD12  ILE  47          1HD1      ILE  47  13.378   8.727   5.297
  316   HD13  ILE  47          2HD1      ILE  47  15.114   8.564   5.563
  317    H    ALA  48           H        ALA  48  14.283   4.566   7.888
  318    HA   ALA  48           HA       ALA  48  12.987   3.392  10.276
  319    HB1  ALA  48           1HB      ALA  48  14.616   1.865   9.945
  320    HB2  ALA  48           2HB      ALA  48  15.771   3.080  10.491
  321    HB3  ALA  48           3HB      ALA  48  15.423   2.903   8.770
  322    H    ARG  49           H        ARG  49  14.505   3.753  12.365
  323    HA   ARG  49           HA       ARG  49  15.344   6.601  12.459
  324    HB2  ARG  49           2HB      ARG  49  13.646   5.445  14.665
  325    HB3  ARG  49           1HB      ARG  49  13.995   7.137  14.315
  326    HG2  ARG  49           2HG      ARG  49  12.817   6.502  11.996
  327    HG3  ARG  49           1HG      ARG  49  12.027   5.305  13.023
  328    HD2  ARG  49           2HD      ARG  49  11.611   7.294  14.644
  329    HD3  ARG  49           1HD      ARG  49  11.962   8.309  13.245
  330    HE   ARG  49           HE       ARG  49   9.621   6.517  13.540
  331   HH11  ARG  49          1HH1      ARG  49  10.653   9.475  12.458
  332   HH12  ARG  49          2HH1      ARG  49   9.811   9.436  10.944
  333   HH21  ARG  49          1HH2      ARG  49   8.901   6.102  11.237
  334   HH22  ARG  49          2HH2      ARG  49   8.820   7.525  10.252
  335    H    GLY  50           H        GLY  50  16.659   3.786  12.678
  336    HA2  GLY  50           2HA      GLY  50  18.860   4.220  14.108
  337    HA3  GLY  50           1HA      GLY  50  17.730   4.040  15.434
  338    H    ASP  51           H        ASP  51  16.629   1.944  15.606
  339    HA   ASP  51           HA       ASP  51  18.522  -0.217  15.247
  340    HB2  ASP  51           2HB      ASP  51  15.927   0.167  16.592
  341    HB3  ASP  51           1HB      ASP  51  16.252  -1.477  16.036
  342    H    TRP  52           H        TRP  52  15.867   0.904  13.327
  343    HA   TRP  52           HA       TRP  52  16.046  -1.653  11.786
  344    HB2  TRP  52           2HB      TRP  52  13.715  -1.027  10.962
  345    HB3  TRP  52           1HB      TRP  52  13.829  -1.506  12.654
  346    HD1  TRP  52           HD       TRP  52  12.701   1.235  10.473
  347    HE1  TRP  52           1HE      TRP  52  12.006   3.291  11.863
  348    HE3  TRP  52           3HE      TRP  52  14.569  -0.119  15.005
  349    HZ2  TRP  52           2HZ      TRP  52  12.230   4.235  14.556
  350    HZ3  TRP  52           3HZ      TRP  52  14.335   1.372  16.965
  351    HH2  TRP  52           HH       TRP  52  13.161   3.545  16.751
  352    H    ASN  53           H        ASN  53  15.215  -1.176   9.404
  353    HA   ASN  53           HA       ASN  53  16.729   1.224   8.465
  354    HB2  ASN  53           2HB      ASN  53  16.855  -0.147   6.281
  355    HB3  ASN  53           1HB      ASN  53  17.850  -0.698   7.630
  356   HD21  ASN  53          1HD2      ASN  53  17.792  -2.958   7.540
  357   HD22  ASN  53          2HD2      ASN  53  16.376  -3.883   7.398
  358    H    ASP  54           H        ASP  54  15.835   1.423   5.900
  359    HA   ASP  54           HA       ASP  54  13.141   2.470   6.289
  360    HB2  ASP  54           2HB      ASP  54  14.896   2.268   3.826
  361    HB3  ASP  54           1HB      ASP  54  13.344   3.106   3.879
  362    H    ASP  55           H        ASP  55  11.233   1.546   5.611
  363    HA   ASP  55           HA       ASP  55  11.255  -1.282   4.923
  364    HB2  ASP  55           2HB      ASP  55   8.842   0.516   4.740
  365    HB3  ASP  55           1HB      ASP  55   8.914  -1.189   5.187
  366    H    ARG  56           H        ARG  56  10.402  -2.185   2.930
  367    HA   ARG  56           HA       ARG  56  10.377  -0.272   0.632
  368    HB2  ARG  56           2HB      ARG  56  11.501  -3.046   0.364
  369    HB3  ARG  56           1HB      ARG  56  11.798  -1.626  -0.636
  370    HG2  ARG  56           2HG      ARG  56  12.616  -0.913   1.969
  371    HG3  ARG  56           1HG      ARG  56  13.257  -2.531   1.683
  372    HD2  ARG  56           2HD      ARG  56  14.562  -1.847  -0.107
  373    HD3  ARG  56           1HD      ARG  56  13.502  -0.493  -0.496
  374    HE   ARG  56           HE       ARG  56  14.747  -0.097   2.074
  375   HH11  ARG  56          1HH2      ARG  56  16.031  -0.696  -0.993
  376   HH12  ARG  56          2HH2      ARG  56  16.959   0.765  -1.072
  377   HH21  ARG  56          1HH1      ARG  56  15.626   2.083   1.845
  378   HH22  ARG  56          2HH1      ARG  56  16.731   2.337   0.536
  379    H    CYS  57           H        CYS  57   8.875  -0.741  -1.002
  380    HA   CYS  57           HA       CYS  57   6.497  -2.098  -0.367
  381    HB2  CYS  57           2HB      CYS  57   6.734  -0.580  -2.327
  382    HB3  CYS  57           1HB      CYS  57   7.712  -1.805  -3.129
  383    H    THR  58           H        THR  58   5.762  -4.197  -0.717
  384    HA   THR  58           HA       THR  58   7.807  -6.277  -0.810
  385    HB   THR  58           HB       THR  58   5.102  -7.269  -1.001
  386    HG1  THR  58           1HG      THR  58   4.635  -6.276   1.167
  387   HG21  THR  58          3HG2      THR  58   6.493  -8.717   0.106
  388   HG22  THR  58          1HG2      THR  58   5.895  -7.830   1.508
  389   HG23  THR  58          2HG2      THR  58   7.458  -7.418   0.805
  390    H    GLY  59           H        GLY  59   5.423  -4.934  -2.993
  391    HA2  GLY  59           2HA      GLY  59   5.917  -5.172  -5.426
  392    HA3  GLY  59           1HA      GLY  59   6.388  -6.838  -5.085
  393    H    GLN  60           H        GLN  60   4.337  -7.647  -3.415
  394    HA   GLN  60           HA       GLN  60   1.968  -7.478  -5.228
  395    HB2  GLN  60           2HB      GLN  60   2.314  -9.636  -3.166
  396    HB3  GLN  60           1HB      GLN  60   1.444  -9.692  -4.700
  397    HG2  GLN  60           2HG      GLN  60   3.646  -9.531  -5.890
  398    HG3  GLN  60           1HG      GLN  60   4.451  -9.652  -4.325
  399   HE21  GLN  60          1HE2      GLN  60   1.718 -11.414  -5.916
  400   HE22  GLN  60          2HE2      GLN  60   2.319 -12.959  -5.554
  401    H    SER  61           H        SER  61   3.011  -5.936  -2.652
  402    HA   SER  61           HA       SER  61   0.352  -6.055  -1.274
  403    HB2  SER  61           2HB      SER  61   3.004  -5.417   0.043
  404    HB3  SER  61           1HB      SER  61   1.447  -5.632   0.838
  405    HG   SER  61           HG       SER  61   3.186  -7.469   0.481
  406    H    ALA  62           H        ALA  62  -0.721  -4.155  -1.538
  407    HA   ALA  62           HA       ALA  62   0.508  -1.813  -2.653
  408    HB1  ALA  62           1HB      ALA  62  -2.148  -2.599  -1.715
  409    HB2  ALA  62           2HB      ALA  62  -1.699  -1.505  -3.025
  410    HB3  ALA  62           3HB      ALA  62  -1.779  -0.910  -1.366
  411    H    ASP  63           H        ASP  63  -0.271  -2.774   0.671
  412    HA   ASP  63           HA       ASP  63   0.606  -0.203   1.756
  413    HB2  ASP  63           2HB      ASP  63   0.011  -2.860   3.096
  414    HB3  ASP  63           1HB      ASP  63   0.378  -1.364   3.957
  415    H    CYS  64           H        CYS  64   2.314  -0.691   3.769
  416    HA   CYS  64           HA       CYS  64   4.616  -2.054   2.436
  417    HB2  CYS  64           2HB      CYS  64   5.010   0.329   2.427
  418    HB3  CYS  64           1HB      CYS  64   4.596   0.456   4.133
  419    HA   PRO  65           HA       PRO  65   4.667  -4.515   6.054
  420    HB2  PRO  65           2HB      PRO  65   6.952  -5.863   5.378
  421    HB3  PRO  65           1HB      PRO  65   5.375  -6.234   4.687
  422    HG2  PRO  65           2HG      PRO  65   7.710  -4.864   3.457
  423    HG3  PRO  65           1HG      PRO  65   6.386  -5.745   2.675
  424    HD2  PRO  65           2HD      PRO  65   6.638  -2.931   2.855
  425    HD3  PRO  65           1HD      PRO  65   5.191  -3.829   2.350
  426    H    ARG  66           H        ARG  66   5.400  -3.763   8.017
  427    HA   ARG  66           HA       ARG  66   8.028  -2.352   8.062
  428    HB2  ARG  66           2HB      ARG  66   7.175  -1.484  10.298
  429    HB3  ARG  66           1HB      ARG  66   6.287  -0.926   8.877
  430    HG2  ARG  66           2HG      ARG  66   5.255  -3.458   9.917
  431    HG3  ARG  66           1HG      ARG  66   5.169  -2.155  11.103
  432    HD2  ARG  66           2HD      ARG  66   3.486  -1.151   9.991
  433    HD3  ARG  66           1HD      ARG  66   4.373  -1.226   8.468
  434    HE   ARG  66           HE       ARG  66   2.807  -2.902   7.938
  435   HH11  ARG  66          1HH2      ARG  66   2.589  -2.650  11.257
  436   HH12  ARG  66          2HH2      ARG  66   2.290  -4.331  11.552
  437   HH21  ARG  66          1HH1      ARG  66   2.961  -5.297   8.290
  438   HH22  ARG  66          2HH1      ARG  66   2.500  -5.829   9.873
  439    H    ASN  67           H        ASN  67   9.422  -2.725   9.901
  440    HA   ASN  67           HA       ASN  67   9.593  -5.546  10.625
  441    HB2  ASN  67           2HB      ASN  67  11.687  -4.924  11.646
  442    HB3  ASN  67           1HB      ASN  67  11.554  -3.975  10.170
  443   HD21  ASN  67          1HD2      ASN  67  12.624  -3.562  13.192
  444   HD22  ASN  67          2HD2      ASN  67  12.137  -1.964  13.494
  445    HA   PRO  68           HA       PRO  68   7.606  -5.260  14.541
  446    HB2  PRO  68           2HB      PRO  68   9.174  -6.925  16.079
  447    HB3  PRO  68           1HB      PRO  68   8.029  -7.500  14.855
  448    HG2  PRO  68           2HG      PRO  68  10.996  -7.407  14.754
  449    HG3  PRO  68           1HG      PRO  68   9.878  -8.443  13.857
  450    HD2  PRO  68           2HD      PRO  68  11.206  -6.144  12.861
  451    HD3  PRO  68           1HD      PRO  68   9.898  -7.033  12.060
  452    H    TRP  69           H        TRP  69  10.267  -3.536  14.017
  453    HA   TRP  69           HA       TRP  69  10.394  -2.579  16.838
  454    HB2  TRP  69           2HB      TRP  69  12.846  -2.587  15.096
  455    HB3  TRP  69           1HB      TRP  69  12.735  -2.523  16.856
  456    HD1  TRP  69           HD       TRP  69  11.043  -4.898  17.625
  457    HE1  TRP  69           1HE      TRP  69  11.748  -7.326  17.139
  458    HE3  TRP  69           3HE      TRP  69  14.332  -4.103  13.808
  459    HZ2  TRP  69           2HZ      TRP  69  13.473  -8.745  15.362
  460    HZ3  TRP  69           3HZ      TRP  69  15.489  -6.014  12.732
  461    HH2  TRP  69           HH       TRP  69  15.058  -8.331  13.505
  462    H    ASN  70           H        ASN  70   9.862  -1.830  13.592
  463    HA   ASN  70           HA       ASN  70  10.998   0.665  13.145
  464    HB2  ASN  70           2HB      ASN  70   8.793  -0.801  12.102
  465    HB3  ASN  70           1HB      ASN  70   8.237   0.845  12.408
  466   HD21  ASN  70          1HD2      ASN  70   9.831   2.614  11.549
  467   HD22  ASN  70          2HD2      ASN  70  10.582   2.298  10.060
  468    H    GLY  71           H        GLY  71   7.688   0.388  14.379
  469    HA2  GLY  71           2HA      GLY  71   8.037   2.970  15.780
  470    HA3  GLY  71           1HA      GLY  71   6.505   2.131  15.536
  Start of MODEL   14
    1    H    GLY   1           1HT      GLY   1 -10.337 -11.142   5.363
    2    HA2  GLY   1           1HA      GLY   1  -9.889 -10.042   3.386
    3    HA3  GLY   1           2HA      GLY   1 -10.837 -11.201   2.455
    4    H    LYS   2           H        LYS   2 -11.014  -8.142   3.011
    5    HA   LYS   2           HA       LYS   2 -13.825  -8.080   4.002
    6    HB2  LYS   2           2HB      LYS   2 -11.545  -6.287   4.230
    7    HB3  LYS   2           1HB      LYS   2 -12.957  -5.450   3.584
    8    HG2  LYS   2           2HG      LYS   2 -14.180  -6.809   5.539
    9    HG3  LYS   2           1HG      LYS   2 -12.568  -6.726   6.253
   10    HD2  LYS   2           2HD      LYS   2 -14.002  -4.301   5.147
   11    HD3  LYS   2           1HD      LYS   2 -14.105  -4.789   6.838
   12    HE2  LYS   2           2HE      LYS   2 -11.389  -4.567   5.611
   13    HE3  LYS   2           1HE      LYS   2 -12.239  -3.074   6.012
   14    HZ1  LYS   2           3HZ      LYS   2 -11.975  -5.295   7.947
   15    HZ2  LYS   2           1HZ      LYS   2 -12.379  -3.677   8.253
   16    HZ3  LYS   2           2HZ      LYS   2 -10.792  -4.084   7.804
   17    H    GLU   3           H        GLU   3 -14.783  -5.826   2.776
   18    HA   GLU   3           HA       GLU   3 -14.565  -6.457  -0.144
   19    HB2  GLU   3           2HB      GLU   3 -16.976  -5.865  -0.317
   20    HB3  GLU   3           1HB      GLU   3 -16.712  -7.254   0.740
   21    HG2  GLU   3           2HG      GLU   3 -17.375  -6.126   2.606
   22    HG3  GLU   3           1HG      GLU   3 -16.610  -4.623   2.087
   23    H    CYS   4           H        CYS   4 -13.209  -4.385   1.557
   24    HA   CYS   4           HA       CYS   4 -14.044  -2.056  -0.092
   25    HB2  CYS   4           2HB      CYS   4 -15.081  -1.789   2.150
   26    HB3  CYS   4           1HB      CYS   4 -13.484  -1.912   2.887
   27    H    ASP   5           H        ASP   5 -12.302  -1.034  -0.972
   28    HA   ASP   5           HA       ASP   5  -9.603  -1.759   0.092
   29    HB2  ASP   5           2HB      ASP   5 -10.143  -2.571  -2.229
   30    HB3  ASP   5           1HB      ASP   5 -10.310  -0.886  -2.726
   31    H    CYS   6           H        CYS   6 -11.833   0.764  -0.412
   32    HA   CYS   6           HA       CYS   6  -9.714   2.752   0.261
   33    HB2  CYS   6           2HB      CYS   6 -11.806   2.956  -1.910
   34    HB3  CYS   6           1HB      CYS   6 -11.035   4.382  -1.220
   35    H    SER   7           H        SER   7 -10.418   4.360   1.702
   36    HA   SER   7           HA       SER   7 -13.025   3.804   3.000
   37    HB2  SER   7           2HB      SER   7 -11.025   5.874   3.903
   38    HB3  SER   7           1HB      SER   7 -12.202   4.988   4.868
   39    HG   SER   7           HG       SER   7  -9.677   4.273   4.019
   40    H    SER   8           H        SER   8 -12.280   5.446   0.373
   41    HA   SER   8           HA       SER   8 -13.969   7.806   1.093
   42    HB2  SER   8           2HB      SER   8 -12.235   7.835  -1.339
   43    HB3  SER   8           1HB      SER   8 -12.703   9.163  -0.282
   44    HG   SER   8           HG       SER   8 -11.362   8.023   1.338
   45    HA   PRO   9           HA       PRO   9 -16.736   5.867  -1.828
   46    HB2  PRO   9           2HB      PRO   9 -18.766   7.688  -1.498
   47    HB3  PRO   9           1HB      PRO   9 -18.439   6.371  -0.358
   48    HG2  PRO   9           2HG      PRO   9 -17.879   9.284  -0.068
   49    HG3  PRO   9           1HG      PRO   9 -18.153   8.063   1.186
   50    HD2  PRO   9           2HD      PRO   9 -15.637   9.105   0.397
   51    HD3  PRO   9           1HD      PRO   9 -15.907   7.680   1.422
   52    H    GLU  10           H        GLU  10 -15.462   9.091  -1.950
   53    HA   GLU  10           HA       GLU  10 -16.557   9.517  -4.686
   54    HB2  GLU  10           2HB      GLU  10 -15.020  11.401  -2.869
   55    HB3  GLU  10           1HB      GLU  10 -15.708  11.823  -4.438
   56    HG2  GLU  10           2HG      GLU  10 -17.825  11.958  -3.613
   57    HG3  GLU  10           1HG      GLU  10 -17.607  10.559  -2.561
   58    H    ASN  11           H        ASN  11 -14.415   7.560  -4.024
   59    HA   ASN  11           HA       ASN  11 -12.005   8.795  -5.201
   60    HB2  ASN  11           2HB      ASN  11 -11.912   7.172  -3.258
   61    HB3  ASN  11           1HB      ASN  11 -12.424   5.911  -4.379
   62   HD21  ASN  11          1HD2      ASN  11  -9.690   6.932  -2.951
   63   HD22  ASN  11          2HD2      ASN  11  -8.562   6.662  -4.188
   64    HA   PRO  12           HA       PRO  12 -13.195   7.355  -9.228
   65    HB2  PRO  12           2HB      PRO  12 -10.844   8.031 -10.485
   66    HB3  PRO  12           1HB      PRO  12 -12.103   9.206 -10.067
   67    HG2  PRO  12           2HG      PRO  12  -9.464   8.738  -8.760
   68    HG3  PRO  12           1HG      PRO  12 -10.438  10.216  -8.822
   69    HD2  PRO  12           2HD      PRO  12 -10.246   8.452  -6.621
   70    HD3  PRO  12           1HD      PRO  12 -11.461   9.731  -6.828
   71    H    CYS  13           H        CYS  13 -10.377   6.288  -7.469
   72    HA   CYS  13           HA       CYS  13 -10.003   3.994  -9.317
   73    HB2  CYS  13           2HB      CYS  13  -8.303   5.458  -7.382
   74    HB3  CYS  13           1HB      CYS  13  -8.044   3.712  -7.445
   75    H    CYS  14           H        CYS  14 -12.015   4.627  -6.906
   76    HA   CYS  14           HA       CYS  14 -11.966   1.816  -5.948
   77    HB2  CYS  14           2HB      CYS  14 -12.473   4.056  -4.001
   78    HB3  CYS  14           1HB      CYS  14 -12.033   2.380  -3.669
   79    H    ASP  15           H        ASP  15 -13.976   0.975  -6.186
   80    HA   ASP  15           HA       ASP  15 -16.223   2.674  -6.907
   81    HB2  ASP  15           2HB      ASP  15 -15.732   0.211  -7.623
   82    HB3  ASP  15           1HB      ASP  15 -16.480  -0.213  -6.083
   83    H    ALA  16           H        ALA  16 -17.551   3.675  -5.477
   84    HA   ALA  16           HA       ALA  16 -17.303   3.171  -2.618
   85    HB1  ALA  16           1HB      ALA  16 -18.947   4.951  -2.368
   86    HB2  ALA  16           2HB      ALA  16 -19.355   4.860  -4.082
   87    HB3  ALA  16           3HB      ALA  16 -17.764   5.437  -3.582
   88    H    ALA  17           H        ALA  17 -19.593   2.325  -5.167
   89    HA   ALA  17           HA       ALA  17 -21.757   1.437  -3.570
   90    HB1  ALA  17           1HB      ALA  17 -20.696   0.462  -6.233
   91    HB2  ALA  17           2HB      ALA  17 -22.060   1.542  -5.945
   92    HB3  ALA  17           3HB      ALA  17 -22.180  -0.163  -5.513
   93    H    THR  18           H        THR  18 -18.677  -0.075  -4.335
   94    HA   THR  18           HA       THR  18 -19.453  -2.392  -2.607
   95    HB   THR  18           HB       THR  18 -17.928  -3.758  -3.845
   96    HG1  THR  18           1HG      THR  18 -16.592  -2.792  -5.449
   97   HG21  THR  18          3HG2      THR  18 -19.454  -1.895  -5.679
   98   HG22  THR  18          1HG2      THR  18 -19.994  -3.450  -5.045
   99   HG23  THR  18          2HG2      THR  18 -18.685  -3.386  -6.225
  100    H    CYS  19           H        CYS  19 -17.409   0.330  -2.961
  101    HA   CYS  19           HA       CYS  19 -15.904   1.241  -1.387
  102    HB2  CYS  19           2HB      CYS  19 -17.311  -0.418   0.186
  103    HB3  CYS  19           1HB      CYS  19 -15.772  -1.277   0.203
  104    H    LYS  20           H        LYS  20 -15.408  -1.081  -3.552
  105    HA   LYS  20           HA       LYS  20 -12.582  -1.589  -2.706
  106    HB2  LYS  20           2HB      LYS  20 -14.198  -3.092  -4.782
  107    HB3  LYS  20           1HB      LYS  20 -12.604  -3.528  -4.165
  108    HG2  LYS  20           2HG      LYS  20 -13.435  -4.210  -2.100
  109    HG3  LYS  20           1HG      LYS  20 -14.862  -3.179  -2.220
  110    HD2  LYS  20           2HD      LYS  20 -15.653  -5.405  -2.557
  111    HD3  LYS  20           1HD      LYS  20 -15.601  -4.673  -4.162
  112    HE2  LYS  20           2HE      LYS  20 -14.614  -6.902  -4.263
  113    HE3  LYS  20           1HE      LYS  20 -13.354  -5.695  -4.515
  114    HZ1  LYS  20           3HZ      LYS  20 -12.277  -6.585  -2.816
  115    HZ2  LYS  20           1HZ      LYS  20 -13.557  -7.646  -2.485
  116    HZ3  LYS  20           2HZ      LYS  20 -13.533  -6.099  -1.780
  117    H    LEU  21           H        LEU  21 -11.842  -2.403  -5.428
  118    HA   LEU  21           HA       LEU  21 -11.131   0.241  -6.444
  119    HB2  LEU  21           2HB      LEU  21 -10.520  -2.594  -7.252
  120    HB3  LEU  21           1HB      LEU  21 -10.119  -1.255  -8.328
  121    HG   LEU  21           HG       LEU  21  -9.284  -0.582  -5.666
  122   HD11  LEU  21          1HD1      LEU  21  -9.275  -3.087  -5.394
  123   HD12  LEU  21          2HD1      LEU  21  -7.688  -2.338  -5.212
  124   HD13  LEU  21          3HD1      LEU  21  -8.104  -3.167  -6.712
  125   HD21  LEU  21          3HD2      LEU  21  -8.249  -0.746  -8.408
  126   HD22  LEU  21          1HD2      LEU  21  -7.019  -1.061  -7.183
  127   HD23  LEU  21          2HD2      LEU  21  -7.922   0.454  -7.157
  128    H    ARG  22           H        ARG  22 -12.094   1.311  -8.145
  129    HA   ARG  22           HA       ARG  22 -14.581   0.181  -9.215
  130    HB2  ARG  22           2HB      ARG  22 -13.589   2.786  -8.804
  131    HB3  ARG  22           1HB      ARG  22 -13.733   2.603 -10.553
  132    HG2  ARG  22           2HG      ARG  22 -15.988   1.587  -8.890
  133    HG3  ARG  22           1HG      ARG  22 -15.817   3.335  -9.033
  134    HD2  ARG  22           2HD      ARG  22 -15.454   2.587 -11.626
  135    HD3  ARG  22           1HD      ARG  22 -16.573   1.337 -11.082
  136    HE   ARG  22           HE       ARG  22 -17.920   3.438 -10.201
  137   HH11  ARG  22          1HH1      ARG  22 -16.050   5.285 -11.718
  138   HH12  ARG  22          2HH1      ARG  22 -16.931   5.530 -13.190
  139   HH21  ARG  22          1HH2      ARG  22 -19.054   2.837 -12.681
  140   HH22  ARG  22          2HH2      ARG  22 -18.630   4.143 -13.735
  141    HA   PRO  23           HA       PRO  23 -12.088   0.287 -13.270
  142    HB2  PRO  23           2HB      PRO  23  -9.472   1.117 -13.170
  143    HB3  PRO  23           1HB      PRO  23 -10.835   2.220 -13.424
  144    HG2  PRO  23           2HG      PRO  23  -9.171   1.834 -10.986
  145    HG3  PRO  23           1HG      PRO  23 -10.095   3.254 -11.500
  146    HD2  PRO  23           2HD      PRO  23 -10.878   1.364  -9.530
  147    HD3  PRO  23           1HD      PRO  23 -11.897   2.629 -10.244
  148    H    GLY  24           H        GLY  24  -9.535  -0.658 -13.935
  149    HA2  GLY  24           2HA      GLY  24  -9.516  -3.260 -12.518
  150    HA3  GLY  24           1HA      GLY  24  -8.693  -2.909 -14.039
  151    H    ALA  25           H        ALA  25  -8.480  -0.747 -11.298
  152    HA   ALA  25           HA       ALA  25  -5.581  -0.897 -11.306
  153    HB1  ALA  25           1HB      ALA  25  -5.933   1.154 -10.433
  154    HB2  ALA  25           2HB      ALA  25  -6.435   0.373  -8.934
  155    HB3  ALA  25           3HB      ALA  25  -7.637   0.788 -10.156
  156    H    GLN  26           H        GLN  26  -4.231  -1.865  -9.723
  157    HA   GLN  26           HA       GLN  26  -5.310  -4.193  -8.390
  158    HB2  GLN  26           2HB      GLN  26  -2.689  -2.977  -8.835
  159    HB3  GLN  26           1HB      GLN  26  -2.838  -3.658  -7.216
  160    HG2  GLN  26           2HG      GLN  26  -2.082  -5.470  -8.542
  161    HG3  GLN  26           1HG      GLN  26  -3.817  -5.741  -8.384
  162   HE21  GLN  26          1HE2      GLN  26  -1.445  -5.882 -10.663
  163   HE22  GLN  26          2HE2      GLN  26  -2.339  -5.478 -12.048
  164    H    CYS  27           H        CYS  27  -4.512  -0.911  -7.414
  165    HA   CYS  27           HA       CYS  27  -6.065  -1.303  -4.942
  166    HB2  CYS  27           2HB      CYS  27  -4.054  -1.778  -3.887
  167    HB3  CYS  27           1HB      CYS  27  -3.103  -0.828  -5.019
  168    H    GLY  28           H        GLY  28  -6.694   0.776  -4.013
  169    HA2  GLY  28           2HA      GLY  28  -6.697   2.922  -6.065
  170    HA3  GLY  28           1HA      GLY  28  -7.818   2.804  -4.714
  171    H    GLU  29           H        GLU  29  -5.811   2.241  -2.738
  172    HA   GLU  29           HA       GLU  29  -4.013   4.576  -2.824
  173    HB2  GLU  29           2HB      GLU  29  -4.881   5.493  -0.752
  174    HB3  GLU  29           1HB      GLU  29  -6.186   5.380  -1.926
  175    HG2  GLU  29           2HG      GLU  29  -7.355   4.100  -0.503
  176    HG3  GLU  29           1HG      GLU  29  -6.068   2.896  -0.540
  177    H    GLY  30           H        GLY  30  -2.213   4.315  -1.454
  178    HA2  GLY  30           2HA      GLY  30  -1.820   2.715   0.753
  179    HA3  GLY  30           1HA      GLY  30  -1.678   1.572  -0.588
  180    H    LEU  31           H        LEU  31   0.512   2.285   1.158
  181    HA   LEU  31           HA       LEU  31   2.194   4.308   0.038
  182    HB2  LEU  31           2HB      LEU  31   2.680   1.890   1.761
  183    HB3  LEU  31           1HB      LEU  31   4.040   2.820   1.137
  184    HG   LEU  31           HG       LEU  31   1.761   4.253   2.464
  185   HD11  LEU  31          1HD1      LEU  31   4.115   3.401   4.100
  186   HD12  LEU  31          2HD1      LEU  31   2.822   2.231   3.835
  187   HD13  LEU  31          3HD1      LEU  31   2.469   3.774   4.612
  188   HD21  LEU  31          3HD2      LEU  31   3.807   5.669   3.163
  189   HD22  LEU  31          1HD2      LEU  31   3.349   5.699   1.460
  190   HD23  LEU  31          2HD2      LEU  31   4.708   4.709   1.989
  191    H    CYS  32           H        CYS  32   1.321   1.193  -1.090
  192    HA   CYS  32           HA       CYS  32   3.591   1.261  -3.038
  193    HB2  CYS  32           2HB      CYS  32   2.801  -0.809  -1.335
  194    HB3  CYS  32           1HB      CYS  32   2.148  -1.264  -2.909
  195    H    CYS  33           H        CYS  33   0.654   2.383  -2.945
  196    HA   CYS  33           HA       CYS  33  -0.363   1.059  -5.405
  197    HB2  CYS  33           2HB      CYS  33  -1.680   3.216  -3.733
  198    HB3  CYS  33           1HB      CYS  33  -2.444   2.238  -4.986
  199    H    GLU  34           H        GLU  34   1.247   1.963  -6.838
  200    HA   GLU  34           HA       GLU  34   1.269   4.908  -7.138
  201    HB2  GLU  34           2HB      GLU  34   3.318   3.200  -7.312
  202    HB3  GLU  34           1HB      GLU  34   2.772   3.104  -8.987
  203    HG2  GLU  34           2HG      GLU  34   3.244   5.334  -9.418
  204    HG3  GLU  34           1HG      GLU  34   3.061   5.806  -7.729
  205    H    GLN  35           H        GLN  35  -0.344   5.718  -8.377
  206    HA   GLN  35           HA       GLN  35  -1.738   5.995 -10.243
  207    HB2  GLN  35           2HB      GLN  35   0.522   4.792 -11.285
  208    HB3  GLN  35           1HB      GLN  35  -0.760   3.678 -11.763
  209    HG2  GLN  35           2HG      GLN  35  -2.030   5.538 -12.750
  210    HG3  GLN  35           1HG      GLN  35  -0.774   6.672 -12.250
  211   HE21  GLN  35          1HE2      GLN  35  -0.409   3.390 -13.680
  212   HE22  GLN  35          2HE2      GLN  35   0.472   3.914 -15.035
  213    H    CYS  36           H        CYS  36  -2.320   4.240  -7.981
  214    HA   CYS  36           HA       CYS  36  -4.076   2.832  -7.346
  215    HB2  CYS  36           2HB      CYS  36  -4.837   2.883 -10.280
  216    HB3  CYS  36           1HB      CYS  36  -5.861   2.382  -8.932
  217    H    LYS  37           H        LYS  37  -1.447   1.969  -8.864
  218    HA   LYS  37           HA       LYS  37  -2.280  -0.889  -9.163
  219    HB2  LYS  37           2HB      LYS  37   0.061   0.484 -10.521
  220    HB3  LYS  37           1HB      LYS  37  -0.503  -1.165 -10.799
  221    HG2  LYS  37           2HG      LYS  37  -2.758  -0.098 -11.441
  222    HG3  LYS  37           1HG      LYS  37  -1.873   1.426 -11.526
  223    HD2  LYS  37           2HD      LYS  37  -0.989   0.879 -13.525
  224    HD3  LYS  37           1HD      LYS  37  -0.426  -0.674 -12.906
  225    HE2  LYS  37           2HE      LYS  37  -3.338  -0.543 -13.297
  226    HE3  LYS  37           1HE      LYS  37  -2.412  -0.365 -14.787
  227    HZ1  LYS  37           3HZ      LYS  37  -1.287  -2.401 -13.192
  228    HZ2  LYS  37           1HZ      LYS  37  -1.934  -2.512 -14.755
  229    HZ3  LYS  37           2HZ      LYS  37  -2.945  -2.703 -13.404
  230    H    PHE  38           H        PHE  38  -0.383  -2.408  -8.632
  231    HA   PHE  38           HA       PHE  38   0.709  -1.605  -6.046
  232    HB2  PHE  38           2HB      PHE  38   1.067  -4.091  -7.739
  233    HB3  PHE  38           1HB      PHE  38   1.826  -3.880  -6.164
  234    HD1  PHE  38           2HD      PHE  38  -0.607  -2.246  -5.006
  235    HD2  PHE  38           1HD      PHE  38  -0.261  -6.008  -7.055
  236    HE1  PHE  38           2HE      PHE  38  -2.684  -3.032  -3.916
  237    HE2  PHE  38           1HE      PHE  38  -2.342  -6.791  -5.961
  238    HZ   PHE  38           HZ       PHE  38  -3.554  -5.303  -4.392
  239    H    SER  39           H        SER  39   2.582  -0.507  -5.807
  240    HA   SER  39           HA       SER  39   4.253   0.244  -7.981
  241    HB2  SER  39           2HB      SER  39   5.327   0.057  -5.182
  242    HB3  SER  39           1HB      SER  39   5.603   1.304  -6.394
  243    HG   SER  39           HG       SER  39   4.003   2.321  -5.510
  244    H    ARG  40           H        ARG  40   6.875  -0.328  -6.914
  245    HA   ARG  40           HA       ARG  40   7.027  -3.218  -7.651
  246    HB2  ARG  40           2HB      ARG  40   9.167  -2.801  -8.587
  247    HB3  ARG  40           1HB      ARG  40   8.198  -1.413  -9.079
  248    HG2  ARG  40           2HG      ARG  40   9.115  -0.458  -6.740
  249    HG3  ARG  40           1HG      ARG  40  10.439  -1.560  -7.122
  250    HD2  ARG  40           2HD      ARG  40   9.367   0.435  -9.124
  251    HD3  ARG  40           1HD      ARG  40  10.683   0.820  -8.015
  252    HE   ARG  40           HE       ARG  40  12.098  -0.444  -9.400
  253   HH11  ARG  40          1HH1      ARG  40  10.108  -0.173 -11.639
  254   HH12  ARG  40          2HH1      ARG  40   9.862  -1.826 -12.098
  255   HH21  ARG  40          1HH2      ARG  40  11.225  -3.113  -9.181
  256   HH22  ARG  40          2HH2      ARG  40  10.493  -3.490 -10.704
  257    H    ALA  41           H        ALA  41   8.630  -4.513  -6.498
  258    HA   ALA  41           HA       ALA  41   8.615  -4.006  -3.652
  259    HB1  ALA  41           1HB      ALA  41   9.666  -6.121  -3.436
  260    HB2  ALA  41           2HB      ALA  41  10.383  -6.020  -5.043
  261    HB3  ALA  41           3HB      ALA  41   8.649  -6.291  -4.867
  262    H    GLY  42           H        GLY  42  10.694  -3.966  -2.362
  263    HA2  GLY  42           2HA      GLY  42  12.821  -3.045  -1.932
  264    HA3  GLY  42           1HA      GLY  42  13.140  -3.136  -3.663
  265    H    LYS  43           H        LYS  43  10.276  -1.512  -2.495
  266    HA   LYS  43           HA       LYS  43  11.514   1.062  -3.414
  267    HB2  LYS  43           2HB      LYS  43   9.656   1.099  -4.707
  268    HB3  LYS  43           1HB      LYS  43   8.876  -0.169  -3.771
  269    HG2  LYS  43           2HG      LYS  43   7.543   1.862  -3.599
  270    HG3  LYS  43           1HG      LYS  43   8.293   1.552  -2.035
  271    HD2  LYS  43           2HD      LYS  43   9.346   3.538  -2.106
  272    HD3  LYS  43           1HD      LYS  43  10.090   3.116  -3.648
  273    HE2  LYS  43           2HE      LYS  43   7.739   3.698  -4.645
  274    HE3  LYS  43           1HE      LYS  43   7.514   4.578  -3.134
  275    HZ1  LYS  43           3HZ      LYS  43   9.498   5.036  -5.264
  276    HZ2  LYS  43           1HZ      LYS  43   9.811   5.556  -3.680
  277    HZ3  LYS  43           2HZ      LYS  43   8.455   6.148  -4.515
  278    H    ILE  44           H        ILE  44  12.049   2.486  -1.841
  279    HA   ILE  44           HA       ILE  44  11.590   2.098   0.911
  280    HB   ILE  44           HB       ILE  44  13.286   3.641   0.233
  281   HG12  ILE  44          2HG1      ILE  44  12.498   5.804   1.356
  282   HG13  ILE  44          1HG1      ILE  44  10.935   5.016   1.559
  283   HG21  ILE  44          1HG2      ILE  44  12.607   5.793  -0.924
  284   HG22  ILE  44          2HG2      ILE  44  11.023   5.061  -1.180
  285   HG23  ILE  44          3HG2      ILE  44  12.458   4.333  -1.903
  286   HD11  ILE  44          3HD1      ILE  44  13.587   3.970   2.592
  287   HD12  ILE  44          1HD1      ILE  44  12.028   3.168   2.784
  288   HD13  ILE  44          2HD1      ILE  44  12.325   4.719   3.570
  289    H    CYS  45           H        CYS  45   9.376   1.533   1.161
  290    HA   CYS  45           HA       CYS  45   7.259   3.440   0.449
  291    HB2  CYS  45           2HB      CYS  45   5.876   1.820   1.942
  292    HB3  CYS  45           1HB      CYS  45   6.439   1.249   0.375
  293    H    ARG  46           H        ARG  46   9.316   2.837   3.148
  294    HA   ARG  46           HA       ARG  46   8.096   5.108   4.571
  295    HB2  ARG  46           2HB      ARG  46   7.182   2.585   5.200
  296    HB3  ARG  46           1HB      ARG  46   8.478   2.817   6.372
  297    HG2  ARG  46           2HG      ARG  46   7.156   5.268   6.356
  298    HG3  ARG  46           1HG      ARG  46   5.854   4.082   6.251
  299    HD2  ARG  46           2HD      ARG  46   7.649   3.026   8.135
  300    HD3  ARG  46           1HD      ARG  46   7.541   4.743   8.518
  301    HE   ARG  46           HE       ARG  46   4.915   3.632   8.070
  302   HH11  ARG  46          1HH2      ARG  46   5.461   5.551  10.252
  303   HH12  ARG  46          2HH2      ARG  46   5.385   4.557  11.668
  304   HH21  ARG  46          1HH1      ARG  46   5.704   1.581   9.916
  305   HH22  ARG  46          2HH1      ARG  46   5.522   2.308  11.478
  306    H    ILE  47           H        ILE  47   9.511   5.949   6.218
  307    HA   ILE  47           HA       ILE  47  12.316   5.007   5.888
  308    HB   ILE  47           HB       ILE  47  11.187   7.566   5.764
  309   HG12  ILE  47          2HG1      ILE  47  14.087   7.306   6.393
  310   HG13  ILE  47          1HG1      ILE  47  13.478   6.384   5.017
  311   HG21  ILE  47          1HG2      ILE  47  12.673   7.186   8.379
  312   HG22  ILE  47          2HG2      ILE  47  11.030   7.791   8.165
  313   HG23  ILE  47          3HG2      ILE  47  12.403   8.758   7.626
  314   HD11  ILE  47          3HD1      ILE  47  14.073   8.455   4.062
  315   HD12  ILE  47          1HD1      ILE  47  13.453   9.369   5.437
  316   HD13  ILE  47          2HD1      ILE  47  12.333   8.604   4.309
  317    H    ALA  48           H        ALA  48  13.503   4.352   7.693
  318    HA   ALA  48           HA       ALA  48  11.900   3.928  10.163
  319    HB1  ALA  48           1HB      ALA  48  13.509   2.214  10.728
  320    HB2  ALA  48           2HB      ALA  48  14.591   2.738   9.439
  321    HB3  ALA  48           3HB      ALA  48  13.049   1.981   9.041
  322    H    ARG  49           H        ARG  49  12.477   4.885  12.089
  323    HA   ARG  49           HA       ARG  49  14.659   6.892  11.971
  324    HB2  ARG  49           2HB      ARG  49  12.177   6.530  13.550
  325    HB3  ARG  49           1HB      ARG  49  13.545   7.204  14.436
  326    HG2  ARG  49           2HG      ARG  49  13.626   8.581  12.035
  327    HG3  ARG  49           1HG      ARG  49  11.896   8.432  12.349
  328    HD2  ARG  49           2HD      ARG  49  13.865   9.375  14.443
  329    HD3  ARG  49           1HD      ARG  49  13.012  10.480  13.366
  330    HE   ARG  49           HE       ARG  49  11.809   8.942  15.572
  331   HH11  ARG  49          1HH1      ARG  49  11.202  10.281  12.481
  332   HH12  ARG  49          2HH1      ARG  49   9.669  10.960  12.916
  333   HH21  ARG  49          1HH2      ARG  49   9.917  10.053  16.254
  334   HH22  ARG  49          2HH2      ARG  49   8.942  10.830  15.052
  335    H    GLY  50           H        GLY  50  16.603   6.462  12.911
  336    HA2  GLY  50           2HA      GLY  50  17.447   5.561  15.245
  337    HA3  GLY  50           1HA      GLY  50  16.800   4.041  14.630
  338    H    ASP  51           H        ASP  51  18.140   2.815  13.392
  339    HA   ASP  51           HA       ASP  51  20.155   3.979  11.650
  340    HB2  ASP  51           2HB      ASP  51  22.120   3.108  12.789
  341    HB3  ASP  51           1HB      ASP  51  21.245   4.169  13.892
  342    H    TRP  52           H        TRP  52  18.074   2.304  11.068
  343    HA   TRP  52           HA       TRP  52  19.485  -0.251  10.443
  344    HB2  TRP  52           2HB      TRP  52  16.915  -1.090  10.563
  345    HB3  TRP  52           1HB      TRP  52  18.004  -1.159  11.946
  346    HD1  TRP  52           HD       TRP  52  15.724   1.551  10.372
  347    HE1  TRP  52           1HE      TRP  52  14.487   2.765  12.279
  348    HE3  TRP  52           3HE      TRP  52  17.682  -0.908  14.396
  349    HZ2  TRP  52           2HZ      TRP  52  14.350   2.702  15.137
  350    HZ3  TRP  52           3HZ      TRP  52  16.986  -0.300  16.696
  351    HH2  TRP  52           HH       TRP  52  15.326   1.498  17.071
  352    H    ASN  53           H        ASN  53  17.507  -1.367   8.824
  353    HA   ASN  53           HA       ASN  53  17.777   0.289   6.437
  354    HB2  ASN  53           2HB      ASN  53  16.681  -2.428   7.059
  355    HB3  ASN  53           1HB      ASN  53  16.184  -1.646   5.557
  356   HD21  ASN  53          1HD2      ASN  53  18.298  -3.895   6.450
  357   HD22  ASN  53          2HD2      ASN  53  19.635  -3.508   5.479
  358    H    ASP  54           H        ASP  54  16.057   1.275   5.274
  359    HA   ASP  54           HA       ASP  54  13.898   2.307   6.912
  360    HB2  ASP  54           2HB      ASP  54  14.017   2.437   3.895
  361    HB3  ASP  54           1HB      ASP  54  13.306   3.601   5.014
  362    H    ASP  55           H        ASP  55  11.993   2.071   4.483
  363    HA   ASP  55           HA       ASP  55  11.132  -0.741   5.051
  364    HB2  ASP  55           2HB      ASP  55   9.453   1.752   4.659
  365    HB3  ASP  55           1HB      ASP  55   8.787   0.118   4.677
  366    H    ARG  56           H        ARG  56  11.387  -1.942   3.250
  367    HA   ARG  56           HA       ARG  56  11.347  -0.625   0.595
  368    HB2  ARG  56           2HB      ARG  56  11.924  -3.519   1.294
  369    HB3  ARG  56           1HB      ARG  56  12.270  -2.709  -0.231
  370    HG2  ARG  56           2HG      ARG  56  13.398  -1.344   2.119
  371    HG3  ARG  56           1HG      ARG  56  14.056  -2.958   1.843
  372    HD2  ARG  56           2HD      ARG  56  14.251  -2.173  -0.646
  373    HD3  ARG  56           1HD      ARG  56  14.141  -0.553   0.040
  374    HE   ARG  56           HE       ARG  56  16.171  -2.382   1.188
  375   HH11  ARG  56          1HH1      ARG  56  16.048   0.644   1.544
  376   HH12  ARG  56          2HH1      ARG  56  17.319   1.156   0.485
  377   HH21  ARG  56          1HH2      ARG  56  17.504  -1.874  -1.192
  378   HH22  ARG  56          2HH2      ARG  56  18.143  -0.270  -1.065
  379    H    CYS  57           H        CYS  57   9.614  -0.738  -0.726
  380    HA   CYS  57           HA       CYS  57   7.120  -1.860   0.073
  381    HB2  CYS  57           2HB      CYS  57   8.105  -0.328  -2.114
  382    HB3  CYS  57           1HB      CYS  57   7.292  -1.734  -2.792
  383    H    THR  58           H        THR  58   6.088  -3.774  -0.632
  384    HA   THR  58           HA       THR  58   7.881  -6.017  -1.131
  385    HB   THR  58           HB       THR  58   5.356  -7.035  -1.396
  386    HG1  THR  58           1HG      THR  58   5.021  -5.165   0.630
  387   HG21  THR  58          3HG2      THR  58   7.183  -6.526   0.920
  388   HG22  THR  58          1HG2      THR  58   6.716  -8.058   0.179
  389   HG23  THR  58          2HG2      THR  58   5.587  -7.207   1.234
  390    H    GLY  59           H        GLY  59   6.040  -3.856  -3.075
  391    HA2  GLY  59           2HA      GLY  59   5.978  -3.721  -5.436
  392    HA3  GLY  59           1HA      GLY  59   6.942  -5.197  -5.505
  393    H    GLN  60           H        GLN  60   4.244  -5.535  -3.481
  394    HA   GLN  60           HA       GLN  60   2.489  -6.485  -5.676
  395    HB2  GLN  60           2HB      GLN  60   2.157  -8.646  -4.330
  396    HB3  GLN  60           1HB      GLN  60   3.673  -8.495  -5.219
  397    HG2  GLN  60           2HG      GLN  60   4.638  -7.494  -3.051
  398    HG3  GLN  60           1HG      GLN  60   3.201  -8.144  -2.259
  399   HE21  GLN  60          1HE2      GLN  60   3.242 -10.434  -4.345
  400   HE22  GLN  60          2HE2      GLN  60   4.431 -11.493  -3.754
  401    H    SER  61           H        SER  61   2.935  -5.783  -2.234
  402    HA   SER  61           HA       SER  61   0.017  -5.852  -1.780
  403    HB2  SER  61           2HB      SER  61   1.469  -4.699   0.414
  404    HB3  SER  61           1HB      SER  61   0.634  -6.249   0.344
  405    HG   SER  61           HG       SER  61   2.692  -6.831   0.629
  406    H    ALA  62           H        ALA  62  -1.235  -3.990  -1.350
  407    HA   ALA  62           HA       ALA  62  -0.391  -1.565  -2.660
  408    HB1  ALA  62           1HB      ALA  62  -2.495  -0.737  -1.168
  409    HB2  ALA  62           2HB      ALA  62  -2.779  -2.478  -1.152
  410    HB3  ALA  62           3HB      ALA  62  -2.674  -1.616  -2.685
  411    H    ASP  63           H        ASP  63  -0.810  -2.421   0.784
  412    HA   ASP  63           HA       ASP  63   0.252   0.163   1.647
  413    HB2  ASP  63           2HB      ASP  63  -0.093  -2.350   3.307
  414    HB3  ASP  63           1HB      ASP  63  -0.001  -0.686   3.887
  415    H    CYS  64           H        CYS  64   2.047  -0.496   3.647
  416    HA   CYS  64           HA       CYS  64   4.211  -1.906   2.149
  417    HB2  CYS  64           2HB      CYS  64   4.856   0.337   1.994
  418    HB3  CYS  64           1HB      CYS  64   4.274   0.733   3.603
  419    HA   PRO  65           HA       PRO  65   4.521  -4.357   5.736
  420    HB2  PRO  65           2HB      PRO  65   6.862  -5.577   5.012
  421    HB3  PRO  65           1HB      PRO  65   5.298  -6.011   4.325
  422    HG2  PRO  65           2HG      PRO  65   7.550  -4.494   3.111
  423    HG3  PRO  65           1HG      PRO  65   6.274  -5.436   2.321
  424    HD2  PRO  65           2HD      PRO  65   6.365  -2.620   2.537
  425    HD3  PRO  65           1HD      PRO  65   4.961  -3.593   2.045
  426    H    ARG  66           H        ARG  66   6.249  -4.836   7.462
  427    HA   ARG  66           HA       ARG  66   8.270  -2.659   7.686
  428    HB2  ARG  66           2HB      ARG  66   7.572  -2.562  10.181
  429    HB3  ARG  66           1HB      ARG  66   6.534  -1.747   9.009
  430    HG2  ARG  66           2HG      ARG  66   5.020  -3.653   8.956
  431    HG3  ARG  66           1HG      ARG  66   6.089  -4.571  10.015
  432    HD2  ARG  66           2HD      ARG  66   4.930  -3.729  11.754
  433    HD3  ARG  66           1HD      ARG  66   5.651  -2.165  11.376
  434    HE   ARG  66           HE       ARG  66   3.630  -1.785   9.888
  435   HH11  ARG  66          1HH1      ARG  66   2.646  -4.661  10.302
  436   HH12  ARG  66          2HH1      ARG  66   1.358  -4.404  11.432
  437   HH21  ARG  66          1HH2      ARG  66   2.378  -1.198  12.270
  438   HH22  ARG  66          2HH2      ARG  66   1.206  -2.443  12.545
  439    H    ASN  67           H        ASN  67   9.904  -3.175   9.393
  440    HA   ASN  67           HA       ASN  67  10.686  -5.972   9.230
  441    HB2  ASN  67           2HB      ASN  67  11.909  -3.916  11.074
  442    HB3  ASN  67           1HB      ASN  67  12.690  -5.294  10.299
  443   HD21  ASN  67          1HD2      ASN  67  13.599  -2.522  10.041
  444   HD22  ASN  67          2HD2      ASN  67  13.454  -2.102   8.403
  445    HA   PRO  68           HA       PRO  68   8.974  -7.370  13.037
  446    HB2  PRO  68           2HB      PRO  68  10.855  -9.232  13.765
  447    HB3  PRO  68           1HB      PRO  68   9.714  -9.474  12.433
  448    HG2  PRO  68           2HG      PRO  68  12.626  -8.870  12.317
  449    HG3  PRO  68           1HG      PRO  68  11.603  -9.694  11.129
  450    HD2  PRO  68           2HD      PRO  68  12.485  -6.997  11.000
  451    HD3  PRO  68           1HD      PRO  68  11.248  -7.747   9.970
  452    H    TRP  69           H        TRP  69  10.479  -4.930  13.372
  453    HA   TRP  69           HA       TRP  69  11.659  -5.431  16.063
  454    HB2  TRP  69           2HB      TRP  69  12.686  -3.495  13.960
  455    HB3  TRP  69           1HB      TRP  69  13.346  -3.691  15.583
  456    HD1  TRP  69           HD       TRP  69  14.162  -4.674  12.273
  457    HE1  TRP  69           1HE      TRP  69  15.467  -6.895  12.187
  458    HE3  TRP  69           3HE      TRP  69  13.175  -6.441  16.947
  459    HZ2  TRP  69           2HZ      TRP  69  16.017  -9.133  13.887
  460    HZ3  TRP  69           3HZ      TRP  69  14.097  -8.619  17.695
  461    HH2  TRP  69           HH       TRP  69  15.514  -9.967  16.170
  462    H    ASN  70           H        ASN  70  11.564  -2.250  14.638
  463    HA   ASN  70           HA       ASN  70  10.133  -1.068  16.754
  464    HB2  ASN  70           2HB      ASN  70   9.682   0.797  15.137
  465    HB3  ASN  70           1HB      ASN  70  11.373   0.292  15.158
  466   HD21  ASN  70          1HD2      ASN  70  10.199   1.593  12.868
  467   HD22  ASN  70          2HD2      ASN  70  10.170   0.477  11.589
  468    H    GLY  71           H        GLY  71   8.157  -1.889  17.373
  469    HA2  GLY  71           2HA      GLY  71   5.838  -1.412  15.761
  470    HA3  GLY  71           1HA      GLY  71   6.248  -3.127  15.699
  Start of MODEL   15
    1    H    GLY   1           1HT      GLY   1 -11.966 -13.159   2.207
    2    HA2  GLY   1           1HA      GLY   1 -12.651 -11.834  -0.187
    3    HA3  GLY   1           2HA      GLY   1 -13.577 -11.962   1.308
    4    H    LYS   2           H        LYS   2 -12.975  -9.634  -0.586
    5    HA   LYS   2           HA       LYS   2 -11.975  -7.766   1.527
    6    HB2  LYS   2           2HB      LYS   2 -11.614  -7.508  -1.475
    7    HB3  LYS   2           1HB      LYS   2 -11.028  -6.373  -0.260
    8    HG2  LYS   2           2HG      LYS   2  -9.114  -7.612  -0.432
    9    HG3  LYS   2           1HG      LYS   2  -9.957  -8.668   0.701
   10    HD2  LYS   2           2HD      LYS   2  -9.409 -10.211  -0.936
   11    HD3  LYS   2           1HD      LYS   2 -10.977  -9.676  -1.541
   12    HE2  LYS   2           2HE      LYS   2  -9.466  -9.592  -3.403
   13    HE3  LYS   2           1HE      LYS   2  -9.730  -7.923  -2.895
   14    HZ1  LYS   2           3HZ      LYS   2  -7.561  -7.730  -2.599
   15    HZ2  LYS   2           1HZ      LYS   2  -7.316  -9.356  -3.014
   16    HZ3  LYS   2           2HZ      LYS   2  -7.612  -8.929  -1.396
   17    H    GLU   3           H        GLU   3 -13.307  -6.044   1.959
   18    HA   GLU   3           HA       GLU   3 -15.673  -5.687   0.166
   19    HB2  GLU   3           2HB      GLU   3 -15.546  -5.119   3.140
   20    HB3  GLU   3           1HB      GLU   3 -16.981  -5.087   2.115
   21    HG2  GLU   3           2HG      GLU   3 -15.388  -7.609   2.161
   22    HG3  GLU   3           1HG      GLU   3 -16.354  -7.232   3.590
   23    H    CYS   4           H        CYS   4 -13.143  -4.164   2.018
   24    HA   CYS   4           HA       CYS   4 -13.883  -1.568   0.738
   25    HB2  CYS   4           2HB      CYS   4 -13.479  -2.210   3.553
   26    HB3  CYS   4           1HB      CYS   4 -12.369  -0.949   3.015
   27    H    ASP   5           H        ASP   5 -12.398  -1.718  -0.950
   28    HA   ASP   5           HA       ASP   5  -9.663  -2.606  -0.537
   29    HB2  ASP   5           2HB      ASP   5 -11.026  -2.679  -2.726
   30    HB3  ASP   5           1HB      ASP   5 -10.642  -0.964  -2.877
   31    H    CYS   6           H        CYS   6 -11.311   0.303   0.073
   32    HA   CYS   6           HA       CYS   6  -8.764   1.630   0.714
   33    HB2  CYS   6           2HB      CYS   6  -9.116   3.571  -0.648
   34    HB3  CYS   6           1HB      CYS   6  -9.297   2.179  -1.714
   35    H    SER   7           H        SER   7  -9.319   3.883   1.726
   36    HA   SER   7           HA       SER   7 -11.822   3.546   3.330
   37    HB2  SER   7           2HB      SER   7  -9.486   5.207   4.232
   38    HB3  SER   7           1HB      SER   7 -10.722   4.415   5.205
   39    HG   SER   7           HG       SER   7  -8.334   3.487   4.385
   40    H    SER   8           H        SER   8 -10.388   5.413   0.933
   41    HA   SER   8           HA       SER   8 -11.740   7.909   1.792
   42    HB2  SER   8           2HB      SER   8  -9.357   7.388   0.399
   43    HB3  SER   8           1HB      SER   8 -10.461   8.047  -0.804
   44    HG   SER   8           HG       SER   8  -9.602   9.171   1.646
   45    HA   PRO   9           HA       PRO   9 -15.091   6.714  -0.909
   46    HB2  PRO   9           2HB      PRO   9 -16.674   8.883  -0.316
   47    HB3  PRO   9           1HB      PRO   9 -16.529   7.462   0.733
   48    HG2  PRO   9           2HG      PRO   9 -15.357  10.180   1.087
   49    HG3  PRO   9           1HG      PRO   9 -15.777   8.971   2.311
   50    HD2  PRO   9           2HD      PRO   9 -13.171   9.521   1.351
   51    HD3  PRO   9           1HD      PRO   9 -13.654   8.112   2.320
   52    H    GLU  10           H        GLU  10 -13.095   9.502  -1.087
   53    HA   GLU  10           HA       GLU  10 -14.359  10.390  -3.634
   54    HB2  GLU  10           2HB      GLU  10 -13.377  11.856  -1.520
   55    HB3  GLU  10           1HB      GLU  10 -12.023  11.887  -2.650
   56    HG2  GLU  10           2HG      GLU  10 -13.150  13.158  -4.168
   57    HG3  GLU  10           1HG      GLU  10 -14.679  12.328  -3.873
   58    H    ASN  11           H        ASN  11 -11.988   8.296  -2.606
   59    HA   ASN  11           HA       ASN  11  -9.892   8.893  -4.500
   60    HB2  ASN  11           2HB      ASN  11  -9.620   7.499  -2.420
   61    HB3  ASN  11           1HB      ASN  11 -10.536   6.223  -3.222
   62   HD21  ASN  11          1HD2      ASN  11  -7.592   6.344  -2.399
   63   HD22  ASN  11          2HD2      ASN  11  -6.742   5.975  -3.820
   64    HA   PRO  12           HA       PRO  12 -12.084   7.235  -8.008
   65    HB2  PRO  12           2HB      PRO  12 -10.052   7.656  -9.813
   66    HB3  PRO  12           1HB      PRO  12 -11.139   8.936  -9.245
   67    HG2  PRO  12           2HG      PRO  12  -8.292   8.430  -8.513
   68    HG3  PRO  12           1HG      PRO  12  -9.199   9.951  -8.506
   69    HD2  PRO  12           2HD      PRO  12  -8.587   8.382  -6.235
   70    HD3  PRO  12           1HD      PRO  12  -9.765   9.709  -6.299
   71    H    CYS  13           H        CYS  13  -9.025   6.131  -6.762
   72    HA   CYS  13           HA       CYS  13  -8.607   3.927  -8.563
   73    HB2  CYS  13           2HB      CYS  13  -7.743   4.212  -5.669
   74    HB3  CYS  13           1HB      CYS  13  -7.063   3.093  -6.849
   75    H    CYS  14           H        CYS  14 -10.772   4.431  -5.893
   76    HA   CYS  14           HA       CYS  14 -11.646   1.585  -6.161
   77    HB2  CYS  14           2HB      CYS  14 -12.130   1.607  -3.700
   78    HB3  CYS  14           1HB      CYS  14 -10.412   1.726  -4.077
   79    H    ASP  15           H        ASP  15 -13.819   1.298  -6.280
   80    HA   ASP  15           HA       ASP  15 -15.550   3.502  -6.849
   81    HB2  ASP  15           2HB      ASP  15 -15.710   0.889  -7.364
   82    HB3  ASP  15           1HB      ASP  15 -16.652   0.898  -5.876
   83    H    ALA  16           H        ALA  16 -16.788   4.734  -5.476
   84    HA   ALA  16           HA       ALA  16 -16.415   4.416  -2.598
   85    HB1  ALA  16           1HB      ALA  16 -17.559   6.434  -4.421
   86    HB2  ALA  16           2HB      ALA  16 -16.657   6.654  -2.923
   87    HB3  ALA  16           3HB      ALA  16 -18.384   6.304  -2.868
   88    H    ALA  17           H        ALA  17 -18.730   3.376  -4.944
   89    HA   ALA  17           HA       ALA  17 -21.001   3.118  -3.182
   90    HB1  ALA  17           1HB      ALA  17 -20.411   2.578  -5.924
   91    HB2  ALA  17           2HB      ALA  17 -21.989   2.601  -5.137
   92    HB3  ALA  17           3HB      ALA  17 -21.064   1.102  -5.213
   93    H    THR  18           H        THR  18 -18.529   0.782  -4.297
   94    HA   THR  18           HA       THR  18 -19.448  -1.068  -2.150
   95    HB   THR  18           HB       THR  18 -19.341  -2.128  -4.317
   96    HG1  THR  18           1HG      THR  18 -18.544  -3.685  -3.169
   97   HG21  THR  18          3HG2      THR  18 -17.182  -2.175  -5.582
   98   HG22  THR  18          1HG2      THR  18 -16.532  -1.004  -4.435
   99   HG23  THR  18          2HG2      THR  18 -17.889  -0.563  -5.470
  100    H    CYS  19           H        CYS  19 -17.165   1.314  -2.619
  101    HA   CYS  19           HA       CYS  19 -15.235   1.892  -1.409
  102    HB2  CYS  19           2HB      CYS  19 -16.624   1.306   0.541
  103    HB3  CYS  19           1HB      CYS  19 -16.183  -0.389   0.358
  104    H    LYS  20           H        LYS  20 -15.135  -0.106  -3.592
  105    HA   LYS  20           HA       LYS  20 -12.607  -1.461  -2.751
  106    HB2  LYS  20           2HB      LYS  20 -15.013  -2.600  -4.122
  107    HB3  LYS  20           1HB      LYS  20 -13.420  -3.255  -4.505
  108    HG2  LYS  20           2HG      LYS  20 -13.536  -2.996  -1.686
  109    HG3  LYS  20           1HG      LYS  20 -15.059  -3.734  -2.185
  110    HD2  LYS  20           2HD      LYS  20 -12.538  -4.755  -3.426
  111    HD3  LYS  20           1HD      LYS  20 -12.885  -5.217  -1.760
  112    HE2  LYS  20           2HE      LYS  20 -15.149  -5.987  -2.491
  113    HE3  LYS  20           1HE      LYS  20 -14.693  -5.635  -4.158
  114    HZ1  LYS  20           3HZ      LYS  20 -12.642  -7.118  -3.472
  115    HZ2  LYS  20           1HZ      LYS  20 -14.081  -7.800  -4.057
  116    HZ3  LYS  20           2HZ      LYS  20 -13.775  -7.767  -2.386
  117    H    LEU  21           H        LEU  21 -11.851  -2.502  -5.207
  118    HA   LEU  21           HA       LEU  21 -10.908  -0.132  -6.554
  119    HB2  LEU  21           2HB      LEU  21 -10.748  -3.082  -7.082
  120    HB3  LEU  21           1HB      LEU  21 -10.273  -1.950  -8.349
  121    HG   LEU  21           HG       LEU  21  -9.135  -1.041  -5.893
  122   HD11  LEU  21          1HD1      LEU  21  -9.467  -3.439  -5.194
  123   HD12  LEU  21          2HD1      LEU  21  -7.779  -2.928  -5.230
  124   HD13  LEU  21          3HD1      LEU  21  -8.429  -3.916  -6.539
  125   HD21  LEU  21          3HD2      LEU  21  -8.446  -1.074  -8.493
  126   HD22  LEU  21          1HD2      LEU  21  -7.490  -2.451  -7.942
  127   HD23  LEU  21          2HD2      LEU  21  -7.254  -0.864  -7.210
  128    H    ARG  22           H        ARG  22 -12.009   1.076  -8.011
  129    HA   ARG  22           HA       ARG  22 -14.510   0.001  -9.135
  130    HB2  ARG  22           2HB      ARG  22 -14.977   2.155  -8.530
  131    HB3  ARG  22           1HB      ARG  22 -13.323   2.701  -8.760
  132    HG2  ARG  22           2HG      ARG  22 -13.620   2.911 -11.121
  133    HG3  ARG  22           1HG      ARG  22 -15.119   1.984 -11.087
  134    HD2  ARG  22           2HD      ARG  22 -16.303   3.745  -9.997
  135    HD3  ARG  22           1HD      ARG  22 -14.811   4.604  -9.610
  136    HE   ARG  22           HE       ARG  22 -14.858   4.444 -12.400
  137   HH11  ARG  22          1HH2      ARG  22 -16.229   6.132  -9.778
  138   HH12  ARG  22          2HH2      ARG  22 -17.177   7.197 -10.762
  139   HH21  ARG  22          1HH1      ARG  22 -16.358   5.610 -13.733
  140   HH22  ARG  22          2HH1      ARG  22 -17.249   6.902 -13.001
  141    HA   PRO  23           HA       PRO  23 -12.234   0.823 -13.233
  142    HB2  PRO  23           2HB      PRO  23  -9.666   1.795 -13.142
  143    HB3  PRO  23           1HB      PRO  23 -11.103   2.831 -13.204
  144    HG2  PRO  23           2HG      PRO  23  -9.317   2.232 -10.888
  145    HG3  PRO  23           1HG      PRO  23 -10.303   3.670 -11.204
  146    HD2  PRO  23           2HD      PRO  23 -10.965   1.588  -9.422
  147    HD3  PRO  23           1HD      PRO  23 -12.077   2.829 -10.035
  148    H    GLY  24           H        GLY  24  -9.738   0.096 -14.185
  149    HA2  GLY  24           2HA      GLY  24  -9.470  -2.641 -13.081
  150    HA3  GLY  24           1HA      GLY  24  -8.814  -2.081 -14.621
  151    H    ALA  25           H        ALA  25  -8.438  -1.507 -11.107
  152    HA   ALA  25           HA       ALA  25  -5.514  -1.127 -11.623
  153    HB1  ALA  25           1HB      ALA  25  -7.420   0.525 -10.217
  154    HB2  ALA  25           2HB      ALA  25  -5.720   0.846 -10.558
  155    HB3  ALA  25           3HB      ALA  25  -6.175  -0.032  -9.099
  156    H    GLN  26           H        GLN  26  -4.295  -1.554  -9.382
  157    HA   GLN  26           HA       GLN  26  -5.147  -4.273  -8.554
  158    HB2  GLN  26           2HB      GLN  26  -2.630  -3.019  -9.035
  159    HB3  GLN  26           1HB      GLN  26  -2.684  -3.469  -7.330
  160    HG2  GLN  26           2HG      GLN  26  -2.083  -5.533  -8.056
  161    HG3  GLN  26           1HG      GLN  26  -3.775  -5.687  -8.534
  162   HE21  GLN  26          1HE2      GLN  26  -3.420  -6.914 -10.470
  163   HE22  GLN  26          2HE2      GLN  26  -2.588  -6.291 -11.812
  164    H    CYS  27           H        CYS  27  -4.209  -1.145  -7.097
  165    HA   CYS  27           HA       CYS  27  -5.781  -1.962  -4.694
  166    HB2  CYS  27           2HB      CYS  27  -3.791  -2.033  -3.599
  167    HB3  CYS  27           1HB      CYS  27  -2.946  -1.159  -4.867
  168    H    GLY  28           H        GLY  28  -6.582  -0.076  -3.452
  169    HA2  GLY  28           2HA      GLY  28  -7.288   2.149  -5.287
  170    HA3  GLY  28           1HA      GLY  28  -8.156   1.736  -3.813
  171    H    GLU  29           H        GLU  29  -5.874   1.467  -2.139
  172    HA   GLU  29           HA       GLU  29  -4.489   4.067  -2.293
  173    HB2  GLU  29           2HB      GLU  29  -5.185   4.679  -0.027
  174    HB3  GLU  29           1HB      GLU  29  -6.581   4.531  -1.079
  175    HG2  GLU  29           2HG      GLU  29  -7.454   3.020   0.333
  176    HG3  GLU  29           1HG      GLU  29  -6.092   1.954  -0.009
  177    H    GLY  30           H        GLY  30  -2.540   4.079  -1.066
  178    HA2  GLY  30           2HA      GLY  30  -1.652   2.426   0.940
  179    HA3  GLY  30           1HA      GLY  30  -1.464   1.418  -0.496
  180    H    LEU  31           H        LEU  31   0.771   2.272   1.028
  181    HA   LEU  31           HA       LEU  31   1.981   4.634  -0.130
  182    HB2  LEU  31           2HB      LEU  31   2.998   2.328   1.528
  183    HB3  LEU  31           1HB      LEU  31   4.117   3.505   0.841
  184    HG   LEU  31           HG       LEU  31   1.717   4.524   2.304
  185   HD11  LEU  31          1HD1      LEU  31   2.988   4.409   4.436
  186   HD12  LEU  31          2HD1      LEU  31   4.232   3.458   3.625
  187   HD13  LEU  31          3HD1      LEU  31   2.605   2.804   3.813
  188   HD21  LEU  31          3HD2      LEU  31   4.159   5.536   1.199
  189   HD22  LEU  31          1HD2      LEU  31   4.185   5.808   2.942
  190   HD23  LEU  31          2HD2      LEU  31   2.854   6.438   1.970
  191    H    CYS  32           H        CYS  32   1.675   1.322  -1.087
  192    HA   CYS  32           HA       CYS  32   3.748   1.708  -3.199
  193    HB2  CYS  32           2HB      CYS  32   3.266  -0.441  -1.498
  194    HB3  CYS  32           1HB      CYS  32   2.550  -0.951  -3.028
  195    H    CYS  33           H        CYS  33   0.742   2.552  -2.979
  196    HA   CYS  33           HA       CYS  33  -0.268   1.165  -5.402
  197    HB2  CYS  33           2HB      CYS  33  -1.660   3.140  -3.566
  198    HB3  CYS  33           1HB      CYS  33  -2.419   2.222  -4.867
  199    H    GLU  34           H        GLU  34   0.958   2.150  -7.040
  200    HA   GLU  34           HA       GLU  34   0.908   5.112  -7.231
  201    HB2  GLU  34           2HB      GLU  34   3.053   3.821  -7.580
  202    HB3  GLU  34           1HB      GLU  34   2.325   3.119  -9.024
  203    HG2  GLU  34           2HG      GLU  34   2.578   5.027 -10.230
  204    HG3  GLU  34           1HG      GLU  34   2.110   6.054  -8.873
  205    H    GLN  35           H        GLN  35  -0.825   5.936  -8.300
  206    HA   GLN  35           HA       GLN  35  -2.437   6.216  -9.983
  207    HB2  GLN  35           2HB      GLN  35  -0.317   5.479 -11.381
  208    HB3  GLN  35           1HB      GLN  35  -1.221   3.976 -11.570
  209    HG2  GLN  35           2HG      GLN  35  -2.709   4.923 -12.994
  210    HG3  GLN  35           1HG      GLN  35  -2.856   6.377 -12.005
  211   HE21  GLN  35          1HE2      GLN  35  -2.307   5.910 -15.040
  212   HE22  GLN  35          2HE2      GLN  35  -0.963   6.901 -15.348
  213    H    CYS  36           H        CYS  36  -2.788   4.354  -7.777
  214    HA   CYS  36           HA       CYS  36  -4.482   2.866  -7.112
  215    HB2  CYS  36           2HB      CYS  36  -5.358   2.585  -9.979
  216    HB3  CYS  36           1HB      CYS  36  -6.335   2.513  -8.509
  217    H    LYS  37           H        LYS  37  -1.885   2.223  -8.991
  218    HA   LYS  37           HA       LYS  37  -2.491  -0.704  -9.123
  219    HB2  LYS  37           2HB      LYS  37  -1.333   1.102 -11.039
  220    HB3  LYS  37           1HB      LYS  37  -0.136  -0.116 -10.595
  221    HG2  LYS  37           2HG      LYS  37  -2.595  -1.488 -10.867
  222    HG3  LYS  37           1HG      LYS  37  -2.474  -0.410 -12.258
  223    HD2  LYS  37           2HD      LYS  37  -0.011  -1.295 -12.396
  224    HD3  LYS  37           1HD      LYS  37  -0.628  -2.632 -11.426
  225    HE2  LYS  37           2HE      LYS  37  -2.362  -3.077 -13.106
  226    HE3  LYS  37           1HE      LYS  37  -1.796  -1.713 -14.070
  227    HZ1  LYS  37           3HZ      LYS  37   0.360  -3.427 -13.428
  228    HZ2  LYS  37           1HZ      LYS  37  -0.223  -2.972 -14.954
  229    HZ3  LYS  37           2HZ      LYS  37  -0.886  -4.321 -14.161
  230    H    PHE  38           H        PHE  38  -0.374  -2.040  -8.884
  231    HA   PHE  38           HA       PHE  38   0.821  -1.319  -6.320
  232    HB2  PHE  38           2HB      PHE  38   1.249  -3.623  -8.234
  233    HB3  PHE  38           1HB      PHE  38   2.152  -3.452  -6.733
  234    HD1  PHE  38           1HD      PHE  38  -0.687  -2.020  -5.664
  235    HD2  PHE  38           2HD      PHE  38   0.592  -5.855  -7.121
  236    HE1  PHE  38           1HE      PHE  38  -2.537  -3.109  -4.432
  237    HE2  PHE  38           2HE      PHE  38  -1.263  -6.940  -5.888
  238    HZ   PHE  38           HZ       PHE  38  -2.828  -5.568  -4.542
  239    H    SER  39           H        SER  39   2.675  -0.178  -6.064
  240    HA   SER  39           HA       SER  39   4.150   0.843  -8.313
  241    HB2  SER  39           2HB      SER  39   5.347   0.713  -5.562
  242    HB3  SER  39           1HB      SER  39   5.421   2.012  -6.749
  243    HG   SER  39           HG       SER  39   3.568   2.753  -6.050
  244    H    ARG  40           H        ARG  40   6.775   0.159  -6.636
  245    HA   ARG  40           HA       ARG  40   7.097  -2.605  -7.721
  246    HB2  ARG  40           2HB      ARG  40   8.667  -0.146  -8.338
  247    HB3  ARG  40           1HB      ARG  40   9.563  -1.655  -8.160
  248    HG2  ARG  40           2HG      ARG  40   8.942  -2.240 -10.240
  249    HG3  ARG  40           1HG      ARG  40   7.259  -2.244  -9.712
  250    HD2  ARG  40           2HD      ARG  40   6.984  -0.561 -11.207
  251    HD3  ARG  40           1HD      ARG  40   7.766   0.447  -9.989
  252    HE   ARG  40           HE       ARG  40   8.867   0.084 -12.485
  253   HH11  ARG  40          1HH2      ARG  40   9.991   0.788  -9.497
  254   HH12  ARG  40          2HH2      ARG  40  11.574   0.113  -9.693
  255   HH21  ARG  40          1HH1      ARG  40  10.805  -1.505 -12.662
  256   HH22  ARG  40          2HH1      ARG  40  12.035  -1.187 -11.485
  257    H    ALA  41           H        ALA  41   8.719  -3.863  -6.624
  258    HA   ALA  41           HA       ALA  41   8.921  -3.311  -3.796
  259    HB1  ALA  41           1HB      ALA  41   9.137  -5.574  -5.345
  260    HB2  ALA  41           2HB      ALA  41   9.603  -5.478  -3.647
  261    HB3  ALA  41           3HB      ALA  41  10.818  -5.273  -4.908
  262    H    GLY  42           H        GLY  42  11.142  -3.294  -2.681
  263    HA2  GLY  42           2HA      GLY  42  13.273  -2.306  -2.440
  264    HA3  GLY  42           1HA      GLY  42  13.426  -2.361  -4.196
  265    H    LYS  43           H        LYS  43  10.664  -0.895  -2.624
  266    HA   LYS  43           HA       LYS  43  11.734   1.766  -3.517
  267    HB2  LYS  43           2HB      LYS  43   9.944   1.637  -4.928
  268    HB3  LYS  43           1HB      LYS  43   9.128   0.425  -3.950
  269    HG2  LYS  43           2HG      LYS  43   7.764   2.400  -3.859
  270    HG3  LYS  43           1HG      LYS  43   8.574   2.307  -2.306
  271    HD2  LYS  43           2HD      LYS  43   9.616   4.273  -2.656
  272    HD3  LYS  43           1HD      LYS  43  10.216   3.730  -4.223
  273    HE2  LYS  43           2HE      LYS  43   7.622   4.127  -4.859
  274    HE3  LYS  43           1HE      LYS  43   7.792   5.323  -3.575
  275    HZ1  LYS  43           3HZ      LYS  43  10.055   5.439  -5.231
  276    HZ2  LYS  43           1HZ      LYS  43   8.880   6.634  -4.965
  277    HZ3  LYS  43           2HZ      LYS  43   8.671   5.502  -6.215
  278    H    ILE  44           H        ILE  44  12.189   3.055  -1.804
  279    HA   ILE  44           HA       ILE  44  11.418   2.496   0.872
  280    HB   ILE  44           HB       ILE  44  12.589   4.822  -0.581
  281   HG12  ILE  44          2HG1      ILE  44  13.944   3.083   0.537
  282   HG13  ILE  44          1HG1      ILE  44  14.194   4.661   1.289
  283   HG21  ILE  44          1HG2      ILE  44  10.870   6.028   0.629
  284   HG22  ILE  44          2HG2      ILE  44  12.389   6.244   1.499
  285   HG23  ILE  44          3HG2      ILE  44  11.186   5.100   2.096
  286   HD11  ILE  44          3HD1      ILE  44  11.975   3.553   2.613
  287   HD12  ILE  44          1HD1      ILE  44  13.607   3.739   3.257
  288   HD13  ILE  44          2HD1      ILE  44  13.137   2.234   2.466
  289    H    CYS  45           H        CYS  45   9.309   2.291   1.403
  290    HA   CYS  45           HA       CYS  45   7.429   4.391   0.420
  291    HB2  CYS  45           2HB      CYS  45   5.691   2.511   0.942
  292    HB3  CYS  45           1HB      CYS  45   6.591   2.463  -0.568
  293    H    ARG  46           H        ARG  46   8.938   3.078   3.128
  294    HA   ARG  46           HA       ARG  46   7.419   4.871   4.836
  295    HB2  ARG  46           2HB      ARG  46   6.147   2.552   4.578
  296    HB3  ARG  46           1HB      ARG  46   7.310   2.050   5.803
  297    HG2  ARG  46           2HG      ARG  46   6.542   3.647   7.362
  298    HG3  ARG  46           1HG      ARG  46   5.726   4.595   6.118
  299    HD2  ARG  46           2HD      ARG  46   4.059   2.859   5.808
  300    HD3  ARG  46           1HD      ARG  46   4.920   1.782   6.908
  301    HE   ARG  46           HE       ARG  46   4.360   4.135   8.359
  302   HH11  ARG  46          1HH1      ARG  46   2.239   2.546   6.283
  303   HH12  ARG  46          2HH1      ARG  46   1.049   2.194   7.492
  304   HH21  ARG  46          1HH2      ARG  46   3.021   3.280  10.128
  305   HH22  ARG  46          2HH2      ARG  46   1.491   2.611   9.669
  306    H    ILE  47           H        ILE  47   8.181   4.583   7.205
  307    HA   ILE  47           HA       ILE  47  11.082   3.860   7.169
  308    HB   ILE  47           HB       ILE  47  10.618   6.318   7.322
  309   HG12  ILE  47          2HG1      ILE  47  11.661   5.515  10.008
  310   HG13  ILE  47          1HG1      ILE  47  12.514   4.926   8.580
  311   HG21  ILE  47          1HG2      ILE  47   9.513   7.232   9.243
  312   HG22  ILE  47          2HG2      ILE  47   9.462   5.660  10.041
  313   HG23  ILE  47          3HG2      ILE  47   8.459   5.961   8.622
  314   HD11  ILE  47          3HD1      ILE  47  12.056   7.773   9.455
  315   HD12  ILE  47          1HD1      ILE  47  12.408   7.393   7.769
  316   HD13  ILE  47          2HD1      ILE  47  13.573   6.982   9.028
  317    H    ALA  48           H        ALA  48  11.715   2.415   8.728
  318    HA   ALA  48           HA       ALA  48   9.794   1.009  10.301
  319    HB1  ALA  48           1HB      ALA  48  12.168   0.272   9.585
  320    HB2  ALA  48           2HB      ALA  48  11.627  -0.194  11.197
  321    HB3  ALA  48           3HB      ALA  48  12.727   1.170  10.997
  322    H    ARG  49           H        ARG  49   9.097   1.303  12.406
  323    HA   ARG  49           HA       ARG  49   9.769   3.886  13.665
  324    HB2  ARG  49           2HB      ARG  49   7.563   1.961  13.803
  325    HB3  ARG  49           1HB      ARG  49   8.059   2.546  15.391
  326    HG2  ARG  49           2HG      ARG  49   8.048   4.791  13.647
  327    HG3  ARG  49           1HG      ARG  49   6.536   3.922  13.381
  328    HD2  ARG  49           2HD      ARG  49   5.781   4.295  15.520
  329    HD3  ARG  49           1HD      ARG  49   7.405   4.277  16.209
  330    HE   ARG  49           HE       ARG  49   6.781   6.594  14.500
  331   HH11  ARG  49          1HH1      ARG  49   8.829   6.302  16.798
  332   HH12  ARG  49          2HH1      ARG  49   8.105   7.325  17.994
  333   HH21  ARG  49          1HH2      ARG  49   5.025   7.448  16.403
  334   HH22  ARG  49          2HH2      ARG  49   5.951   7.976  17.768
  335    H    GLY  50           H        GLY  50  11.458   3.977  15.049
  336    HA2  GLY  50           2HA      GLY  50  11.983   2.833  17.386
  337    HA3  GLY  50           1HA      GLY  50  12.390   1.475  16.341
  338    H    ASP  51           H        ASP  51  14.296   1.561  15.142
  339    HA   ASP  51           HA       ASP  51  15.851   3.836  14.554
  340    HB2  ASP  51           2HB      ASP  51  15.856   3.344  17.313
  341    HB3  ASP  51           1HB      ASP  51  17.391   2.692  16.740
  342    H    TRP  52           H        TRP  52  15.472   1.717  13.015
  343    HA   TRP  52           HA       TRP  52  18.083   0.278  13.117
  344    HB2  TRP  52           2HB      TRP  52  16.347  -1.488  11.833
  345    HB3  TRP  52           1HB      TRP  52  16.983  -1.658  13.464
  346    HD1  TRP  52           HD       TRP  52  13.963  -0.073  11.647
  347    HE1  TRP  52           1HE      TRP  52  11.955  -0.099  13.262
  348    HE3  TRP  52           3HE      TRP  52  16.224  -1.927  15.827
  349    HZ2  TRP  52           2HZ      TRP  52  11.384  -0.815  15.974
  350    HZ3  TRP  52           3HZ      TRP  52  14.931  -2.272  17.911
  351    HH2  TRP  52           HH       TRP  52  12.515  -1.717  17.991
  352    H    ASN  53           H        ASN  53  15.567  -0.229  10.734
  353    HA   ASN  53           HA       ASN  53  17.216   1.309   8.773
  354    HB2  ASN  53           2HB      ASN  53  15.748  -1.266   8.156
  355    HB3  ASN  53           1HB      ASN  53  16.898  -0.412   7.127
  356   HD21  ASN  53          1HD2      ASN  53  19.160  -0.724   7.530
  357   HD22  ASN  53          2HD2      ASN  53  19.747  -1.806   8.699
  358    H    ASP  54           H        ASP  54  15.534   0.974   6.562
  359    HA   ASP  54           HA       ASP  54  13.115   2.478   7.466
  360    HB2  ASP  54           2HB      ASP  54  14.650   2.496   4.857
  361    HB3  ASP  54           1HB      ASP  54  13.078   3.270   5.052
  362    H    ASP  55           H        ASP  55  11.439   2.236   5.372
  363    HA   ASP  55           HA       ASP  55  10.875  -0.689   5.332
  364    HB2  ASP  55           2HB      ASP  55   9.056   1.664   4.735
  365    HB3  ASP  55           1HB      ASP  55   8.566  -0.031   4.757
  366    H    ARG  56           H        ARG  56  10.558  -1.766   3.372
  367    HA   ARG  56           HA       ARG  56  11.284  -0.212   0.922
  368    HB2  ARG  56           2HB      ARG  56  12.933  -1.957   1.828
  369    HB3  ARG  56           1HB      ARG  56  11.747  -3.166   1.334
  370    HG2  ARG  56           2HG      ARG  56  12.357  -2.978  -0.818
  371    HG3  ARG  56           1HG      ARG  56  12.174  -1.224  -0.770
  372    HD2  ARG  56           2HD      ARG  56  14.461  -1.470  -1.210
  373    HD3  ARG  56           1HD      ARG  56  14.433  -1.278   0.543
  374    HE   ARG  56           HE       ARG  56  15.190  -3.693  -0.898
  375   HH11  ARG  56          1HH1      ARG  56  16.439  -2.863   1.671
  376   HH12  ARG  56          2HH1      ARG  56  15.754  -3.984   2.800
  377   HH21  ARG  56          1HH2      ARG  56  13.170  -4.936   0.694
  378   HH22  ARG  56          2HH2      ARG  56  13.905  -5.158   2.248
  379    H    CYS  57           H        CYS  57   9.673  -0.093  -0.523
  380    HA   CYS  57           HA       CYS  57   7.159  -1.340  -0.294
  381    HB2  CYS  57           2HB      CYS  57   8.517   0.281  -2.226
  382    HB3  CYS  57           1HB      CYS  57   7.724  -1.046  -3.070
  383    H    THR  58           H        THR  58   6.307  -3.246  -1.143
  384    HA   THR  58           HA       THR  58   8.285  -5.359  -1.695
  385    HB   THR  58           HB       THR  58   5.671  -6.404  -1.867
  386    HG1  THR  58           1HG      THR  58   5.145  -5.528   0.393
  387   HG21  THR  58          3HG2      THR  58   7.771  -7.355  -0.816
  388   HG22  THR  58          1HG2      THR  58   6.300  -7.573   0.133
  389   HG23  THR  58          2HG2      THR  58   7.454  -6.316   0.573
  390    H    GLY  59           H        GLY  59   5.949  -3.411  -3.388
  391    HA2  GLY  59           2HA      GLY  59   5.738  -3.173  -5.739
  392    HA3  GLY  59           1HA      GLY  59   6.876  -4.505  -5.944
  393    H    GLN  60           H        GLN  60   4.870  -5.818  -3.818
  394    HA   GLN  60           HA       GLN  60   2.950  -6.757  -5.910
  395    HB2  GLN  60           2HB      GLN  60   4.372  -8.255  -3.703
  396    HB3  GLN  60           1HB      GLN  60   2.911  -8.890  -4.459
  397    HG2  GLN  60           2HG      GLN  60   4.338  -9.796  -5.977
  398    HG3  GLN  60           1HG      GLN  60   4.397  -8.167  -6.651
  399   HE21  GLN  60          1HE2      GLN  60   6.310  -6.877  -6.245
  400   HE22  GLN  60          2HE2      GLN  60   7.711  -7.540  -5.553
  401    H    SER  61           H        SER  61   3.357  -5.299  -2.846
  402    HA   SER  61           HA       SER  61   0.523  -5.899  -2.112
  403    HB2  SER  61           2HB      SER  61   2.902  -5.790  -0.576
  404    HB3  SER  61           1HB      SER  61   1.936  -4.397  -0.100
  405    HG   SER  61           HG       SER  61   1.595  -6.713   0.820
  406    H    ALA  62           H        ALA  62  -0.279  -3.792  -0.703
  407    HA   ALA  62           HA       ALA  62  -0.033  -1.525  -2.631
  408    HB1  ALA  62           1HB      ALA  62  -2.289  -1.681  -2.559
  409    HB2  ALA  62           2HB      ALA  62  -2.159  -0.924  -0.974
  410    HB3  ALA  62           3HB      ALA  62  -2.260  -2.680  -1.106
  411    H    ASP  63           H        ASP  63  -0.245  -2.220   0.873
  412    HA   ASP  63           HA       ASP  63   0.588   0.501   1.547
  413    HB2  ASP  63           2HB      ASP  63   0.361  -1.990   3.267
  414    HB3  ASP  63           1HB      ASP  63   0.641  -0.356   3.872
  415    H    CYS  64           H        CYS  64   2.519   0.280   3.443
  416    HA   CYS  64           HA       CYS  64   4.780  -0.915   1.906
  417    HB2  CYS  64           2HB      CYS  64   4.860   1.545   2.156
  418    HB3  CYS  64           1HB      CYS  64   4.877   1.371   3.897
  419    HA   PRO  65           HA       PRO  65   5.163  -3.670   5.303
  420    HB2  PRO  65           2HB      PRO  65   7.294  -5.010   4.228
  421    HB3  PRO  65           1HB      PRO  65   5.625  -5.299   3.736
  422    HG2  PRO  65           2HG      PRO  65   7.809  -3.895   2.292
  423    HG3  PRO  65           1HG      PRO  65   6.361  -4.687   1.646
  424    HD2  PRO  65           2HD      PRO  65   6.729  -1.901   1.983
  425    HD3  PRO  65           1HD      PRO  65   5.199  -2.725   1.619
  426    H    ARG  66           H        ARG  66   6.410  -3.603   7.166
  427    HA   ARG  66           HA       ARG  66   8.623  -1.661   7.254
  428    HB2  ARG  66           2HB      ARG  66   7.942  -3.316   9.640
  429    HB3  ARG  66           1HB      ARG  66   8.266  -1.586   9.528
  430    HG2  ARG  66           2HG      ARG  66   6.011  -1.503   8.209
  431    HG3  ARG  66           1HG      ARG  66   5.707  -3.066   8.968
  432    HD2  ARG  66           2HD      ARG  66   6.707  -0.956  10.787
  433    HD3  ARG  66           1HD      ARG  66   5.091  -0.684  10.132
  434    HE   ARG  66           HE       ARG  66   5.463  -3.386  11.169
  435   HH11  ARG  66          1HH2      ARG  66   3.396  -0.844  11.213
  436   HH12  ARG  66          2HH2      ARG  66   3.037  -0.886  12.906
  437   HH21  ARG  66          1HH1      ARG  66   5.569  -3.137  13.653
  438   HH22  ARG  66          2HH1      ARG  66   4.268  -2.186  14.289
  439    H    ASN  67           H        ASN  67   9.796  -3.401   9.545
  440    HA   ASN  67           HA       ASN  67  11.346  -5.205   7.732
  441    HB2  ASN  67           2HB      ASN  67  12.157  -3.241   9.724
  442    HB3  ASN  67           1HB      ASN  67  12.837  -4.832  10.070
  443   HD21  ASN  67          1HD2      ASN  67  14.997  -4.364   9.352
  444   HD22  ASN  67          2HD2      ASN  67  15.368  -4.026   7.731
  445    HA   PRO  68           HA       PRO  68  10.248  -8.598  10.307
  446    HB2  PRO  68           2HB      PRO  68  12.539 -10.106  10.175
  447    HB3  PRO  68           1HB      PRO  68  11.405  -9.934   8.824
  448    HG2  PRO  68           2HG      PRO  68  14.102  -8.721   9.170
  449    HG3  PRO  68           1HG      PRO  68  13.211  -9.067   7.679
  450    HD2  PRO  68           2HD      PRO  68  13.477  -6.527   8.934
  451    HD3  PRO  68           1HD      PRO  68  12.388  -6.932   7.590
  452    H    TRP  69           H        TRP  69  11.233  -6.338  11.860
  453    HA   TRP  69           HA       TRP  69  12.521  -7.839  14.092
  454    HB2  TRP  69           2HB      TRP  69  13.191  -4.995  13.268
  455    HB3  TRP  69           1HB      TRP  69  13.917  -5.897  14.599
  456    HD1  TRP  69           HD       TRP  69  14.773  -4.922  11.290
  457    HE1  TRP  69           1HE      TRP  69  16.412  -6.562  10.161
  458    HE3  TRP  69           3HE      TRP  69  14.259  -8.945  14.385
  459    HZ2  TRP  69           2HZ      TRP  69  17.372  -9.232  10.523
  460    HZ3  TRP  69           3HZ      TRP  69  15.542 -11.025  13.972
  461    HH2  TRP  69           HH       TRP  69  17.098 -11.174  12.046
  462    H    ASN  70           H        ASN  70   9.711  -7.050  13.496
  463    HA   ASN  70           HA       ASN  70   9.261  -5.283  15.869
  464    HB2  ASN  70           2HB      ASN  70   8.127  -5.244  13.147
  465    HB3  ASN  70           1HB      ASN  70   6.925  -5.136  14.432
  466   HD21  ASN  70          1HD2      ASN  70   9.060  -3.275  12.578
  467   HD22  ASN  70          2HD2      ASN  70   9.124  -1.901  13.575
  468    H    GLY  71           H        GLY  71   9.008  -8.402  14.728
  469    HA2  GLY  71           2HA      GLY  71   7.234  -9.156  16.928
  470    HA3  GLY  71           1HA      GLY  71   6.542  -9.442  15.331
  Start of MODEL   16
    1    H    GLY   1           1HT      GLY   1 -15.881  -8.997   4.079
    2    HA2  GLY   1           1HA      GLY   1 -14.978  -7.331   6.040
    3    HA3  GLY   1           2HA      GLY   1 -13.837  -8.676   6.048
    4    H    LYS   2           H        LYS   2 -13.705  -9.424   3.427
    5    HA   LYS   2           HA       LYS   2 -12.132  -7.291   2.262
    6    HB2  LYS   2           2HB      LYS   2 -12.574 -10.102   1.798
    7    HB3  LYS   2           1HB      LYS   2 -12.711  -9.223   0.274
    8    HG2  LYS   2           2HG      LYS   2 -10.539  -8.034   0.947
    9    HG3  LYS   2           1HG      LYS   2 -10.374  -9.276   2.188
   10    HD2  LYS   2           2HD      LYS   2 -10.969 -10.190  -0.588
   11    HD3  LYS   2           1HD      LYS   2  -9.341  -9.592  -0.264
   12    HE2  LYS   2           2HE      LYS   2 -10.668 -11.623   1.534
   13    HE3  LYS   2           1HE      LYS   2  -9.751 -12.107   0.107
   14    HZ1  LYS   2           3HZ      LYS   2  -8.113 -10.322   1.301
   15    HZ2  LYS   2           1HZ      LYS   2  -7.994 -12.008   1.453
   16    HZ3  LYS   2           2HZ      LYS   2  -8.816 -11.107   2.635
   17    H    GLU   3           H        GLU   3 -14.197  -5.826   2.437
   18    HA   GLU   3           HA       GLU   3 -15.601  -5.959  -0.203
   19    HB2  GLU   3           2HB      GLU   3 -16.771  -6.135   2.365
   20    HB3  GLU   3           1HB      GLU   3 -17.129  -4.510   1.778
   21    HG2  GLU   3           2HG      GLU   3 -17.664  -7.095   0.285
   22    HG3  GLU   3           1HG      GLU   3 -18.879  -6.073   1.054
   23    H    CYS   4           H        CYS   4 -13.504  -4.238   1.752
   24    HA   CYS   4           HA       CYS   4 -14.038  -1.741   0.195
   25    HB2  CYS   4           2HB      CYS   4 -13.464  -2.021   3.158
   26    HB3  CYS   4           1HB      CYS   4 -13.252  -0.502   2.296
   27    H    ASP   5           H        ASP   5 -12.326  -2.217  -1.218
   28    HA   ASP   5           HA       ASP   5  -9.700  -3.024  -0.295
   29    HB2  ASP   5           2HB      ASP   5 -10.890  -3.187  -2.683
   30    HB3  ASP   5           1HB      ASP   5 -10.055  -1.652  -2.927
   31    H    CYS   6           H        CYS   6 -11.294  -0.130   0.027
   32    HA   CYS   6           HA       CYS   6  -8.700   1.319   0.248
   33    HB2  CYS   6           2HB      CYS   6  -9.859   3.358  -0.664
   34    HB3  CYS   6           1HB      CYS   6  -9.652   2.070  -1.849
   35    H    SER   7           H        SER   7  -8.676   2.900   1.913
   36    HA   SER   7           HA       SER   7 -10.711   2.463   3.993
   37    HB2  SER   7           2HB      SER   7  -9.171   3.348   5.476
   38    HB3  SER   7           1HB      SER   7  -8.073   2.786   4.219
   39    HG   SER   7           HG       SER   7  -7.484   4.835   4.378
   40    H    SER   8           H        SER   8 -10.245   4.613   1.406
   41    HA   SER   8           HA       SER   8 -11.853   6.724   2.766
   42    HB2  SER   8           2HB      SER   8 -10.652   7.122   0.057
   43    HB3  SER   8           1HB      SER   8 -10.905   8.292   1.350
   44    HG   SER   8           HG       SER   8  -9.130   7.566   2.368
   45    HA   PRO   9           HA       PRO   9 -15.194   5.156   0.254
   46    HB2  PRO   9           2HB      PRO   9 -17.093   6.869   1.265
   47    HB3  PRO   9           1HB      PRO   9 -16.552   5.402   2.099
   48    HG2  PRO   9           2HG      PRO   9 -15.902   8.251   2.699
   49    HG3  PRO   9           1HG      PRO   9 -15.934   6.853   3.788
   50    HD2  PRO   9           2HD      PRO   9 -13.614   8.036   2.676
   51    HD3  PRO   9           1HD      PRO   9 -13.697   6.459   3.489
   52    H    GLU  10           H        GLU  10 -13.838   8.317   0.262
   53    HA   GLU  10           HA       GLU  10 -15.531   9.172  -2.034
   54    HB2  GLU  10           2HB      GLU  10 -14.586  11.392  -1.686
   55    HB3  GLU  10           1HB      GLU  10 -15.173  10.772  -0.142
   56    HG2  GLU  10           2HG      GLU  10 -13.110  10.866   0.754
   57    HG3  GLU  10           1HG      GLU  10 -12.431   9.948  -0.591
   58    H    ASN  11           H        ASN  11 -13.082   7.213  -1.797
   59    HA   ASN  11           HA       ASN  11 -11.087   8.433  -3.534
   60    HB2  ASN  11           2HB      ASN  11 -10.823   6.518  -1.769
   61    HB3  ASN  11           1HB      ASN  11 -11.379   5.475  -3.074
   62   HD21  ASN  11          1HD2      ASN  11  -9.427   4.437  -3.661
   63   HD22  ASN  11          2HD2      ASN  11  -8.035   5.265  -4.169
   64    HA   PRO  12           HA       PRO  12 -13.270   7.427  -7.263
   65    HB2  PRO  12           2HB      PRO  12 -11.243   8.104  -8.991
   66    HB3  PRO  12           1HB      PRO  12 -12.275   9.294  -8.180
   67    HG2  PRO  12           2HG      PRO  12  -9.442   8.568  -7.606
   68    HG3  PRO  12           1HG      PRO  12 -10.297  10.088  -7.292
   69    HD2  PRO  12           2HD      PRO  12  -9.711   8.083  -5.382
   70    HD3  PRO  12           1HD      PRO  12 -10.825   9.448  -5.157
   71    H    CYS  13           H        CYS  13  -9.905   6.313  -6.846
   72    HA   CYS  13           HA       CYS  13  -9.805   4.352  -8.847
   73    HB2  CYS  13           2HB      CYS  13  -8.049   5.153  -7.020
   74    HB3  CYS  13           1HB      CYS  13  -8.632   3.721  -6.171
   75    H    CYS  14           H        CYS  14 -11.004   4.004  -5.497
   76    HA   CYS  14           HA       CYS  14 -12.048   1.319  -6.241
   77    HB2  CYS  14           2HB      CYS  14 -12.226   0.880  -3.888
   78    HB3  CYS  14           1HB      CYS  14 -10.660   1.652  -4.138
   79    H    ASP  15           H        ASP  15 -14.226   0.927  -6.362
   80    HA   ASP  15           HA       ASP  15 -16.094   3.024  -6.714
   81    HB2  ASP  15           2HB      ASP  15 -16.322   0.548  -7.372
   82    HB3  ASP  15           1HB      ASP  15 -16.819   0.271  -5.699
   83    H    ALA  16           H        ALA  16 -17.365   4.157  -5.273
   84    HA   ALA  16           HA       ALA  16 -16.691   4.064  -2.457
   85    HB1  ALA  16           1HB      ALA  16 -17.999   5.863  -4.206
   86    HB2  ALA  16           2HB      ALA  16 -17.617   6.116  -2.503
   87    HB3  ALA  16           3HB      ALA  16 -19.177   5.438  -2.964
   88    H    ALA  17           H        ALA  17 -19.311   2.774  -4.437
   89    HA   ALA  17           HA       ALA  17 -21.043   2.058  -2.248
   90    HB1  ALA  17           1HB      ALA  17 -22.404   1.223  -3.873
   91    HB2  ALA  17           2HB      ALA  17 -21.096   0.319  -4.636
   92    HB3  ALA  17           3HB      ALA  17 -21.293   2.039  -4.972
   93    H    THR  18           H        THR  18 -18.560   0.260  -4.064
   94    HA   THR  18           HA       THR  18 -18.740  -1.894  -2.006
   95    HB   THR  18           HB       THR  18 -17.755  -3.370  -3.615
   96    HG1  THR  18           1HG      THR  18 -16.981  -2.540  -5.599
   97   HG21  THR  18          3HG2      THR  18 -20.177  -2.611  -3.962
   98   HG22  THR  18          1HG2      THR  18 -19.381  -3.347  -5.353
   99   HG23  THR  18          2HG2      THR  18 -19.559  -1.595  -5.265
  100    H    CYS  19           H        CYS  19 -17.168   0.856  -2.272
  101    HA   CYS  19           HA       CYS  19 -14.953   1.621  -1.879
  102    HB2  CYS  19           2HB      CYS  19 -14.089   0.291   0.275
  103    HB3  CYS  19           1HB      CYS  19 -15.346   1.505   0.380
  104    H    LYS  20           H        LYS  20 -15.037  -0.541  -3.829
  105    HA   LYS  20           HA       LYS  20 -12.365  -1.753  -3.218
  106    HB2  LYS  20           2HB      LYS  20 -14.716  -3.009  -4.658
  107    HB3  LYS  20           1HB      LYS  20 -13.102  -3.718  -4.590
  108    HG2  LYS  20           2HG      LYS  20 -13.857  -3.003  -1.928
  109    HG3  LYS  20           1HG      LYS  20 -15.195  -3.897  -2.647
  110    HD2  LYS  20           2HD      LYS  20 -14.025  -5.839  -2.711
  111    HD3  LYS  20           1HD      LYS  20 -12.545  -5.037  -3.238
  112    HE2  LYS  20           2HE      LYS  20 -12.833  -4.105  -0.657
  113    HE3  LYS  20           1HE      LYS  20 -13.411  -5.766  -0.528
  114    HZ1  LYS  20           3HZ      LYS  20 -11.271  -6.185  -1.984
  115    HZ2  LYS  20           1HZ      LYS  20 -11.200  -6.125  -0.290
  116    HZ3  LYS  20           2HZ      LYS  20 -10.752  -4.766  -1.207
  117    H    LEU  21           H        LEU  21 -11.164  -2.362  -5.273
  118    HA   LEU  21           HA       LEU  21 -10.940  -0.101  -6.984
  119    HB2  LEU  21           2HB      LEU  21  -9.919  -2.922  -7.081
  120    HB3  LEU  21           1HB      LEU  21  -9.733  -1.892  -8.502
  121    HG   LEU  21           HG       LEU  21  -8.997  -0.286  -6.309
  122   HD11  LEU  21          1HD1      LEU  21  -8.849  -2.613  -5.165
  123   HD12  LEU  21          2HD1      LEU  21  -7.461  -1.533  -5.027
  124   HD13  LEU  21          3HD1      LEU  21  -7.433  -2.861  -6.188
  125   HD21  LEU  21          3HD2      LEU  21  -8.041  -1.020  -8.820
  126   HD22  LEU  21          1HD2      LEU  21  -6.772  -1.555  -7.719
  127   HD23  LEU  21          2HD2      LEU  21  -7.281   0.134  -7.723
  128    H    ARG  22           H        ARG  22 -12.561   0.552  -8.302
  129    HA   ARG  22           HA       ARG  22 -14.473  -1.332  -9.434
  130    HB2  ARG  22           2HB      ARG  22 -14.882   1.132  -8.731
  131    HB3  ARG  22           1HB      ARG  22 -14.188   1.539 -10.299
  132    HG2  ARG  22           2HG      ARG  22 -15.951  -0.466 -10.960
  133    HG3  ARG  22           1HG      ARG  22 -16.807   0.375  -9.667
  134    HD2  ARG  22           2HD      ARG  22 -15.590   2.323 -11.386
  135    HD3  ARG  22           1HD      ARG  22 -16.513   1.192 -12.373
  136    HE   ARG  22           HE       ARG  22 -17.969   2.134 -10.020
  137   HH11  ARG  22          1HH1      ARG  22 -19.338   1.416 -12.545
  138   HH12  ARG  22          2HH1      ARG  22 -19.729   2.961 -13.221
  139   HH21  ARG  22          1HH2      ARG  22 -17.502   4.702 -11.215
  140   HH22  ARG  22          2HH2      ARG  22 -18.692   4.820 -12.468
  141    HA   PRO  23           HA       PRO  23 -12.169  -0.223 -13.468
  142    HB2  PRO  23           2HB      PRO  23  -9.753   1.065 -13.238
  143    HB3  PRO  23           1HB      PRO  23 -11.299   1.912 -13.409
  144    HG2  PRO  23           2HG      PRO  23  -9.590   1.603 -10.991
  145    HG3  PRO  23           1HG      PRO  23 -10.768   2.868 -11.378
  146    HD2  PRO  23           2HD      PRO  23 -11.172   0.676  -9.623
  147    HD3  PRO  23           1HD      PRO  23 -12.416   1.788 -10.221
  148    H    GLY  24           H        GLY  24  -9.533  -0.653 -14.230
  149    HA2  GLY  24           2HA      GLY  24  -9.035  -3.329 -13.073
  150    HA3  GLY  24           1HA      GLY  24  -8.307  -2.691 -14.546
  151    H    ALA  25           H        ALA  25  -8.414  -0.893 -11.525
  152    HA   ALA  25           HA       ALA  25  -5.504  -0.603 -11.583
  153    HB1  ALA  25           1HB      ALA  25  -6.459   1.363 -10.817
  154    HB2  ALA  25           2HB      ALA  25  -6.135   0.572  -9.275
  155    HB3  ALA  25           3HB      ALA  25  -7.757   0.525  -9.966
  156    H    GLN  26           H        GLN  26  -4.088  -1.276  -9.829
  157    HA   GLN  26           HA       GLN  26  -5.006  -3.802  -8.571
  158    HB2  GLN  26           2HB      GLN  26  -2.449  -2.714  -9.501
  159    HB3  GLN  26           1HB      GLN  26  -2.337  -3.451  -7.903
  160    HG2  GLN  26           2HG      GLN  26  -2.269  -5.459  -8.918
  161    HG3  GLN  26           1HG      GLN  26  -3.941  -5.196  -9.410
  162   HE21  GLN  26          1HE2      GLN  26  -0.759  -3.847 -10.482
  163   HE22  GLN  26          2HE2      GLN  26  -1.046  -4.114 -12.134
  164    H    CYS  27           H        CYS  27  -4.985  -0.596  -7.766
  165    HA   CYS  27           HA       CYS  27  -5.352  -1.120  -4.946
  166    HB2  CYS  27           2HB      CYS  27  -3.388   0.038  -4.094
  167    HB3  CYS  27           1HB      CYS  27  -2.868  -1.299  -5.124
  168    H    GLY  28           H        GLY  28  -6.441   0.584  -4.008
  169    HA2  GLY  28           2HA      GLY  28  -6.989   2.918  -5.754
  170    HA3  GLY  28           1HA      GLY  28  -7.924   2.459  -4.331
  171    H    GLU  29           H        GLU  29  -5.657   2.028  -2.632
  172    HA   GLU  29           HA       GLU  29  -4.254   4.622  -2.548
  173    HB2  GLU  29           2HB      GLU  29  -5.091   5.299  -0.471
  174    HB3  GLU  29           1HB      GLU  29  -6.529   4.677  -1.267
  175    HG2  GLU  29           2HG      GLU  29  -6.691   3.585   0.772
  176    HG3  GLU  29           1HG      GLU  29  -5.759   2.399  -0.143
  177    H    GLY  30           H        GLY  30  -2.765   4.498  -0.403
  178    HA2  GLY  30           2HA      GLY  30  -1.843   2.527   1.048
  179    HA3  GLY  30           1HA      GLY  30  -1.520   1.792  -0.520
  180    H    LEU  31           H        LEU  31   0.586   2.201   1.164
  181    HA   LEU  31           HA       LEU  31   1.914   4.738   0.786
  182    HB2  LEU  31           2HB      LEU  31   2.793   2.005   1.713
  183    HB3  LEU  31           1HB      LEU  31   3.955   3.313   1.499
  184    HG   LEU  31           HG       LEU  31   1.930   4.544   2.906
  185   HD11  LEU  31          1HD1      LEU  31   1.766   1.665   3.320
  186   HD12  LEU  31          2HD1      LEU  31   0.678   2.936   3.879
  187   HD13  LEU  31          3HD1      LEU  31   2.107   2.519   4.825
  188   HD21  LEU  31          3HD2      LEU  31   4.193   3.111   4.287
  189   HD22  LEU  31          1HD2      LEU  31   3.544   4.717   4.614
  190   HD23  LEU  31          2HD2      LEU  31   4.519   4.437   3.171
  191    H    CYS  32           H        CYS  32   1.708   1.781  -1.073
  192    HA   CYS  32           HA       CYS  32   3.752   2.911  -2.936
  193    HB2  CYS  32           2HB      CYS  32   3.416   0.254  -1.818
  194    HB3  CYS  32           1HB      CYS  32   3.431   0.215  -3.582
  195    H    CYS  33           H        CYS  33   0.583   2.934  -2.673
  196    HA   CYS  33           HA       CYS  33  -0.175   1.736  -5.232
  197    HB2  CYS  33           2HB      CYS  33  -1.777   1.912  -3.326
  198    HB3  CYS  33           1HB      CYS  33  -1.758   3.662  -3.503
  199    H    GLU  34           H        GLU  34   1.218   2.807  -6.719
  200    HA   GLU  34           HA       GLU  34   0.797   5.739  -7.038
  201    HB2  GLU  34           2HB      GLU  34   2.907   3.874  -8.167
  202    HB3  GLU  34           1HB      GLU  34   2.794   5.592  -8.547
  203    HG2  GLU  34           2HG      GLU  34   3.178   6.205  -6.250
  204    HG3  GLU  34           1HG      GLU  34   3.032   4.528  -5.723
  205    H    GLN  35           H        GLN  35  -0.438   6.434  -8.730
  206    HA   GLN  35           HA       GLN  35  -1.742   6.336 -10.675
  207    HB2  GLN  35           2HB      GLN  35   0.746   5.245 -11.348
  208    HB3  GLN  35           1HB      GLN  35  -0.423   4.057 -11.929
  209    HG2  GLN  35           2HG      GLN  35  -0.699   7.017 -12.494
  210    HG3  GLN  35           1HG      GLN  35   0.170   5.923 -13.570
  211   HE21  GLN  35          1HE2      GLN  35  -1.150   3.965 -14.356
  212   HE22  GLN  35          2HE2      GLN  35  -2.814   4.188 -14.609
  213    H    CYS  36           H        CYS  36  -2.190   4.586  -8.291
  214    HA   CYS  36           HA       CYS  36  -3.733   2.943  -7.659
  215    HB2  CYS  36           2HB      CYS  36  -4.587   3.541 -10.478
  216    HB3  CYS  36           1HB      CYS  36  -5.298   2.191  -9.605
  217    H    LYS  37           H        LYS  37  -1.056   2.265  -8.732
  218    HA   LYS  37           HA       LYS  37  -1.672  -0.538  -9.567
  219    HB2  LYS  37           2HB      LYS  37   0.511   1.302 -10.578
  220    HB3  LYS  37           1HB      LYS  37   0.498  -0.438 -10.867
  221    HG2  LYS  37           2HG      LYS  37  -2.091   0.639 -11.503
  222    HG3  LYS  37           1HG      LYS  37  -0.855   1.574 -12.346
  223    HD2  LYS  37           2HD      LYS  37   0.034  -0.366 -13.408
  224    HD3  LYS  37           1HD      LYS  37  -0.869  -1.448 -12.346
  225    HE2  LYS  37           2HE      LYS  37  -2.853  -1.132 -13.480
  226    HE3  LYS  37           1HE      LYS  37  -2.430   0.506 -13.975
  227    HZ1  LYS  37           3HZ      LYS  37  -1.554  -2.058 -15.143
  228    HZ2  LYS  37           1HZ      LYS  37  -0.655  -0.640 -15.385
  229    HZ3  LYS  37           2HZ      LYS  37  -2.267  -0.724 -15.917
  230    H    PHE  38           H        PHE  38  -0.001  -2.100  -8.896
  231    HA   PHE  38           HA       PHE  38   0.997  -1.487  -6.216
  232    HB2  PHE  38           2HB      PHE  38   1.048  -3.919  -7.996
  233    HB3  PHE  38           1HB      PHE  38   1.987  -3.871  -6.506
  234    HD1  PHE  38           2HD      PHE  38   0.204  -2.284  -4.741
  235    HD2  PHE  38           1HD      PHE  38  -0.709  -5.422  -7.529
  236    HE1  PHE  38           2HE      PHE  38  -1.828  -2.851  -3.439
  237    HE2  PHE  38           1HE      PHE  38  -2.740  -5.990  -6.225
  238    HZ   PHE  38           HZ       PHE  38  -3.300  -4.703  -4.181
  239    H    SER  39           H        SER  39   2.942  -0.479  -5.902
  240    HA   SER  39           HA       SER  39   4.847  -0.022  -7.980
  241    HB2  SER  39           2HB      SER  39   4.855   0.244  -5.001
  242    HB3  SER  39           1HB      SER  39   6.413   0.238  -5.821
  243    HG   SER  39           HG       SER  39   5.859   2.305  -5.973
  244    H    ARG  40           H        ARG  40   7.309  -0.840  -7.364
  245    HA   ARG  40           HA       ARG  40   7.106  -3.773  -7.651
  246    HB2  ARG  40           2HB      ARG  40   9.172  -1.701  -8.221
  247    HB3  ARG  40           1HB      ARG  40   9.758  -3.313  -7.813
  248    HG2  ARG  40           2HG      ARG  40   7.621  -3.736  -9.592
  249    HG3  ARG  40           1HG      ARG  40   8.531  -2.388 -10.272
  250    HD2  ARG  40           2HD      ARG  40   9.326  -4.690 -10.994
  251    HD3  ARG  40           1HD      ARG  40  10.569  -3.657 -10.288
  252    HE   ARG  40           HE       ARG  40   9.425  -5.201  -8.194
  253   HH11  ARG  40          1HH1      ARG  40  10.960  -5.795 -11.212
  254   HH12  ARG  40          2HH1      ARG  40  11.947  -7.086 -10.612
  255   HH21  ARG  40          1HH2      ARG  40  10.838  -6.771  -7.342
  256   HH22  ARG  40          2HH2      ARG  40  11.878  -7.638  -8.423
  257    H    ALA  41           H        ALA  41   8.488  -5.199  -6.332
  258    HA   ALA  41           HA       ALA  41   8.335  -4.549  -3.512
  259    HB1  ALA  41           1HB      ALA  41   9.942  -6.794  -4.759
  260    HB2  ALA  41           2HB      ALA  41   8.193  -6.880  -4.550
  261    HB3  ALA  41           3HB      ALA  41   9.244  -6.738  -3.140
  262    H    GLY  42           H        GLY  42  10.198  -4.475  -2.044
  263    HA2  GLY  42           2HA      GLY  42  12.334  -3.689  -1.431
  264    HA3  GLY  42           1HA      GLY  42  12.869  -4.050  -3.078
  265    H    LYS  43           H        LYS  43  10.045  -2.110  -2.516
  266    HA   LYS  43           HA       LYS  43  11.506   0.230  -3.666
  267    HB2  LYS  43           2HB      LYS  43   9.650  -0.122  -5.023
  268    HB3  LYS  43           1HB      LYS  43   8.655  -0.700  -3.698
  269    HG2  LYS  43           2HG      LYS  43   7.696   1.353  -3.767
  270    HG3  LYS  43           1HG      LYS  43   9.138   1.932  -2.971
  271    HD2  LYS  43           2HD      LYS  43  10.088   1.985  -5.447
  272    HD3  LYS  43           1HD      LYS  43   8.376   2.105  -5.852
  273    HE2  LYS  43           2HE      LYS  43   9.494   3.874  -3.702
  274    HE3  LYS  43           1HE      LYS  43   9.769   4.295  -5.393
  275    HZ1  LYS  43           3HZ      LYS  43   7.613   4.775  -5.717
  276    HZ2  LYS  43           1HZ      LYS  43   7.588   4.989  -4.034
  277    HZ3  LYS  43           2HZ      LYS  43   7.057   3.524  -4.711
  278    H    ILE  44           H        ILE  44  11.670   2.135  -2.510
  279    HA   ILE  44           HA       ILE  44  11.304   1.992   0.335
  280    HB   ILE  44           HB       ILE  44  12.226   4.056  -1.605
  281   HG12  ILE  44          2HG1      ILE  44  13.754   2.494  -0.459
  282   HG13  ILE  44          1HG1      ILE  44  14.067   4.157   0.048
  283   HG21  ILE  44          1HG2      ILE  44  10.925   5.619  -0.476
  284   HG22  ILE  44          2HG2      ILE  44  12.338   5.577   0.578
  285   HG23  ILE  44          3HG2      ILE  44  10.891   4.666   1.008
  286   HD11  ILE  44          3HD1      ILE  44  13.065   1.883   1.619
  287   HD12  ILE  44          1HD1      ILE  44  12.114   3.353   1.824
  288   HD13  ILE  44          2HD1      ILE  44  13.845   3.368   2.163
  289    H    CYS  45           H        CYS  45   9.504   2.263   1.442
  290    HA   CYS  45           HA       CYS  45   7.228   3.742   0.197
  291    HB2  CYS  45           2HB      CYS  45   6.229   2.287   2.362
  292    HB3  CYS  45           1HB      CYS  45   6.007   1.914   0.660
  293    H    ARG  46           H        ARG  46   9.403   3.482   2.826
  294    HA   ARG  46           HA       ARG  46   8.558   6.067   3.872
  295    HB2  ARG  46           2HB      ARG  46   7.042   4.196   4.918
  296    HB3  ARG  46           1HB      ARG  46   8.479   3.816   5.867
  297    HG2  ARG  46           2HG      ARG  46   7.018   5.420   7.056
  298    HG3  ARG  46           1HG      ARG  46   8.578   6.144   6.665
  299    HD2  ARG  46           2HD      ARG  46   7.672   7.413   4.884
  300    HD3  ARG  46           1HD      ARG  46   6.204   6.436   4.824
  301    HE   ARG  46           HE       ARG  46   6.325   7.625   7.394
  302   HH11  ARG  46          1HH1      ARG  46   6.346   8.673   4.115
  303   HH12  ARG  46          2HH1      ARG  46   5.297  10.021   4.398
  304   HH21  ARG  46          1HH2      ARG  46   4.836   9.300   7.758
  305   HH22  ARG  46          2HH2      ARG  46   4.443  10.377   6.459
  306    H    ILE  47           H        ILE  47  10.069   6.752   5.659
  307    HA   ILE  47           HA       ILE  47  12.732   5.555   5.150
  308    HB   ILE  47           HB       ILE  47  12.014   8.147   5.160
  309   HG12  ILE  47          2HG1      ILE  47  14.661   7.222   6.302
  310   HG13  ILE  47          1HG1      ILE  47  14.234   7.063   4.597
  311   HG21  ILE  47          1HG2      ILE  47  12.321   9.254   7.193
  312   HG22  ILE  47          2HG2      ILE  47  13.235   7.920   7.896
  313   HG23  ILE  47          3HG2      ILE  47  11.487   7.788   7.710
  314   HD11  ILE  47          3HD1      ILE  47  15.298   9.122   4.559
  315   HD12  ILE  47          1HD1      ILE  47  14.776   9.538   6.192
  316   HD13  ILE  47          2HD1      ILE  47  13.634   9.634   4.850
  317    H    ALA  48           H        ALA  48  14.158   5.105   7.000
  318    HA   ALA  48           HA       ALA  48  12.590   4.077   9.310
  319    HB1  ALA  48           1HB      ALA  48  15.059   3.262   7.913
  320    HB2  ALA  48           2HB      ALA  48  13.887   2.280   8.792
  321    HB3  ALA  48           3HB      ALA  48  15.143   3.150   9.671
  322    H    ARG  49           H        ARG  49  12.377   5.936  10.600
  323    HA   ARG  49           HA       ARG  49  14.594   7.724  11.130
  324    HB2  ARG  49           2HB      ARG  49  11.820   7.358  12.196
  325    HB3  ARG  49           1HB      ARG  49  12.963   8.308  13.146
  326    HG2  ARG  49           2HG      ARG  49  13.461   9.576  10.964
  327    HG3  ARG  49           1HG      ARG  49  12.001   8.816  10.329
  328    HD2  ARG  49           2HD      ARG  49  11.035  10.709  11.210
  329    HD3  ARG  49           1HD      ARG  49  11.012   9.707  12.661
  330    HE   ARG  49           HE       ARG  49  13.499  11.144  12.489
  331   HH11  ARG  49          1HH2      ARG  49  10.798  12.827  12.013
  332   HH12  ARG  49          2HH2      ARG  49  10.700  13.582  13.569
  333   HH21  ARG  49          1HH1      ARG  49  13.100  11.531  15.005
  334   HH22  ARG  49          2HH1      ARG  49  12.005  12.849  15.263
  335    H    GLY  50           H        GLY  50  16.350   6.991  12.235
  336    HA2  GLY  50           2HA      GLY  50  16.811   6.512  14.776
  337    HA3  GLY  50           1HA      GLY  50  15.932   5.023  14.430
  338    H    ASP  51           H        ASP  51  17.025   3.358  13.443
  339    HA   ASP  51           HA       ASP  51  19.454   3.763  11.909
  340    HB2  ASP  51           2HB      ASP  51  19.628   3.274  14.802
  341    HB3  ASP  51           1HB      ASP  51  20.548   2.121  13.834
  342    H    TRP  52           H        TRP  52  17.115   2.452  11.243
  343    HA   TRP  52           HA       TRP  52  18.029  -0.391  11.214
  344    HB2  TRP  52           2HB      TRP  52  15.270  -0.558  10.972
  345    HB3  TRP  52           1HB      TRP  52  16.194  -0.919  12.428
  346    HD1  TRP  52           HD       TRP  52  14.228   1.929  10.769
  347    HE1  TRP  52           1HE      TRP  52  13.467   3.577  12.599
  348    HE3  TRP  52           3HE      TRP  52  16.625  -0.076  14.805
  349    HZ2  TRP  52           2HZ      TRP  52  13.828   3.989  15.407
  350    HZ3  TRP  52           3HZ      TRP  52  16.399   0.964  17.044
  351    HH2  TRP  52           HH       TRP  52  15.005   2.991  17.349
  352    H    ASN  53           H        ASN  53  16.127  -1.415   9.486
  353    HA   ASN  53           HA       ASN  53  17.036  -0.314   6.949
  354    HB2  ASN  53           2HB      ASN  53  15.192  -2.560   7.747
  355    HB3  ASN  53           1HB      ASN  53  15.334  -2.062   6.061
  356   HD21  ASN  53          1HD2      ASN  53  16.862  -3.874   8.590
  357   HD22  ASN  53          2HD2      ASN  53  18.281  -4.264   7.743
  358    H    ASP  54           H        ASP  54  15.858   0.907   5.481
  359    HA   ASP  54           HA       ASP  54  13.763   2.586   6.456
  360    HB2  ASP  54           2HB      ASP  54  14.343   1.941   3.551
  361    HB3  ASP  54           1HB      ASP  54  13.594   3.404   4.192
  362    H    ASP  55           H        ASP  55  11.910   2.437   4.215
  363    HA   ASP  55           HA       ASP  55  10.452  -0.045   5.022
  364    HB2  ASP  55           2HB      ASP  55   9.641   2.737   4.652
  365    HB3  ASP  55           1HB      ASP  55   8.635   1.625   3.725
  366    H    ARG  56           H        ARG  56  10.765  -1.586   3.475
  367    HA   ARG  56           HA       ARG  56  10.908  -0.760   0.616
  368    HB2  ARG  56           2HB      ARG  56  11.433  -3.488   1.830
  369    HB3  ARG  56           1HB      ARG  56  11.849  -2.948   0.204
  370    HG2  ARG  56           2HG      ARG  56  12.913  -1.188   2.289
  371    HG3  ARG  56           1HG      ARG  56  13.526  -2.839   2.403
  372    HD2  ARG  56           2HD      ARG  56  13.607  -2.317  -0.320
  373    HD3  ARG  56           1HD      ARG  56  14.092  -0.783   0.401
  374    HE   ARG  56           HE       ARG  56  15.473  -3.385   0.923
  375   HH11  ARG  56          1HH2      ARG  56  15.281  -0.116   1.774
  376   HH12  ARG  56          2HH2      ARG  56  16.983   0.181   1.661
  377   HH21  ARG  56          1HH1      ARG  56  17.711  -2.943   0.344
  378   HH22  ARG  56          2HH1      ARG  56  18.360  -1.419   0.852
  379    H    CYS  57           H        CYS  57   9.175  -1.041  -0.643
  380    HA   CYS  57           HA       CYS  57   6.722  -2.153   0.382
  381    HB2  CYS  57           2HB      CYS  57   7.658  -1.182  -2.299
  382    HB3  CYS  57           1HB      CYS  57   6.114  -2.012  -2.158
  383    H    THR  58           H        THR  58   5.820  -4.168   0.000
  384    HA   THR  58           HA       THR  58   7.592  -6.359  -0.552
  385    HB   THR  58           HB       THR  58   4.873  -7.157  -0.924
  386    HG1  THR  58           1HG      THR  58   4.454  -6.241   1.388
  387   HG21  THR  58          3HG2      THR  58   6.419  -8.618   0.125
  388   HG22  THR  58          1HG2      THR  58   5.330  -8.119   1.418
  389   HG23  THR  58          2HG2      THR  58   6.926  -7.384   1.278
  390    H    GLY  59           H        GLY  59   5.774  -4.270  -2.584
  391    HA2  GLY  59           2HA      GLY  59   6.304  -4.289  -4.989
  392    HA3  GLY  59           1HA      GLY  59   6.410  -6.046  -4.901
  393    H    GLN  60           H        GLN  60   4.194  -6.973  -3.898
  394    HA   GLN  60           HA       GLN  60   2.084  -5.941  -5.703
  395    HB2  GLN  60           2HB      GLN  60   0.956  -8.057  -5.286
  396    HB3  GLN  60           1HB      GLN  60   2.645  -8.380  -5.680
  397    HG2  GLN  60           2HG      GLN  60   3.135  -8.441  -3.211
  398    HG3  GLN  60           1HG      GLN  60   1.398  -8.328  -2.920
  399   HE21  GLN  60          1HE2      GLN  60   0.211 -10.267  -3.002
  400   HE22  GLN  60          2HE2      GLN  60   0.835 -11.746  -3.555
  401    H    SER  61           H        SER  61   3.050  -5.436  -2.558
  402    HA   SER  61           HA       SER  61   0.281  -5.224  -1.499
  403    HB2  SER  61           2HB      SER  61   2.881  -4.659  -0.055
  404    HB3  SER  61           1HB      SER  61   1.295  -4.927   0.663
  405    HG   SER  61           HG       SER  61   1.480  -7.023   0.316
  406    H    ALA  62           H        ALA  62  -0.729  -3.318  -1.949
  407    HA   ALA  62           HA       ALA  62   0.542  -0.942  -2.841
  408    HB1  ALA  62           1HB      ALA  62  -1.658   0.129  -1.849
  409    HB2  ALA  62           2HB      ALA  62  -2.139  -1.553  -1.628
  410    HB3  ALA  62           3HB      ALA  62  -1.758  -0.949  -3.241
  411    H    ASP  63           H        ASP  63  -0.272  -2.060   0.421
  412    HA   ASP  63           HA       ASP  63   0.648   0.426   1.663
  413    HB2  ASP  63           2HB      ASP  63  -0.254  -2.260   2.685
  414    HB3  ASP  63           1HB      ASP  63   0.543  -1.116   3.767
  415    H    CYS  64           H        CYS  64   2.343  -0.275   3.669
  416    HA   CYS  64           HA       CYS  64   4.544  -1.741   2.299
  417    HB2  CYS  64           2HB      CYS  64   4.992   0.649   2.083
  418    HB3  CYS  64           1HB      CYS  64   4.845   0.861   3.823
  419    HA   PRO  65           HA       PRO  65   4.632  -3.881   6.130
  420    HB2  PRO  65           2HB      PRO  65   6.638  -5.572   5.365
  421    HB3  PRO  65           1HB      PRO  65   4.964  -5.780   4.856
  422    HG2  PRO  65           2HG      PRO  65   7.312  -4.845   3.298
  423    HG3  PRO  65           1HG      PRO  65   5.810  -5.591   2.726
  424    HD2  PRO  65           2HD      PRO  65   6.456  -2.831   2.644
  425    HD3  PRO  65           1HD      PRO  65   4.867  -3.557   2.324
  426    H    ARG  66           H        ARG  66   5.772  -3.359   7.983
  427    HA   ARG  66           HA       ARG  66   8.450  -2.091   7.646
  428    HB2  ARG  66           2HB      ARG  66   7.030  -2.117  10.279
  429    HB3  ARG  66           1HB      ARG  66   8.037  -0.859   9.561
  430    HG2  ARG  66           2HG      ARG  66   6.210  -0.453   7.878
  431    HG3  ARG  66           1HG      ARG  66   5.196  -1.576   8.785
  432    HD2  ARG  66           2HD      ARG  66   6.471   0.916   9.953
  433    HD3  ARG  66           1HD      ARG  66   4.795   0.806   9.420
  434    HE   ARG  66           HE       ARG  66   5.943  -0.614  11.771
  435   HH11  ARG  66          1HH2      ARG  66   3.761   1.444  12.006
  436   HH12  ARG  66          2HH2      ARG  66   2.347   0.453  12.139
  437   HH21  ARG  66          1HH1      ARG  66   3.921  -2.409  10.968
  438   HH22  ARG  66          2HH1      ARG  66   2.438  -1.730  11.551
  439    H    ASN  67           H        ASN  67   9.710  -2.552   9.963
  440    HA   ASN  67           HA       ASN  67   9.918  -5.526  10.026
  441    HB2  ASN  67           2HB      ASN  67  12.079  -4.498  11.465
  442    HB3  ASN  67           1HB      ASN  67  12.123  -5.093   9.809
  443   HD21  ASN  67          1HD2      ASN  67  13.603  -3.540   8.955
  444   HD22  ASN  67          2HD2      ASN  67  13.263  -1.879   8.883
  445    HA   PRO  68           HA       PRO  68   8.701  -5.703  14.238
  446    HB2  PRO  68           2HB      PRO  68  10.424  -7.591  15.245
  447    HB3  PRO  68           1HB      PRO  68   9.087  -7.974  14.147
  448    HG2  PRO  68           2HG      PRO  68  12.010  -7.872  13.578
  449    HG3  PRO  68           1HG      PRO  68  10.741  -8.800  12.763
  450    HD2  PRO  68           2HD      PRO  68  11.916  -6.394  11.824
  451    HD3  PRO  68           1HD      PRO  68  10.454  -7.171  11.178
  452    H    TRP  69           H        TRP  69  10.663  -3.546  13.738
  453    HA   TRP  69           HA       TRP  69  11.868  -3.453  16.463
  454    HB2  TRP  69           2HB      TRP  69  13.276  -2.456  13.972
  455    HB3  TRP  69           1HB      TRP  69  13.931  -2.548  15.607
  456    HD1  TRP  69           HD       TRP  69  14.212  -4.310  12.525
  457    HE1  TRP  69           1HE      TRP  69  14.826  -6.791  12.857
  458    HE3  TRP  69           3HE      TRP  69  13.134  -4.827  17.488
  459    HZ2  TRP  69           2HZ      TRP  69  14.860  -8.739  14.952
  460    HZ3  TRP  69           3HZ      TRP  69  13.469  -7.005  18.628
  461    HH2  TRP  69           HH       TRP  69  14.328  -8.959  17.366
  462    H    ASN  70           H        ASN  70   9.434  -2.280  15.236
  463    HA   ASN  70           HA       ASN  70  10.140   0.609  15.583
  464    HB2  ASN  70           2HB      ASN  70   8.954  -0.637  13.350
  465    HB3  ASN  70           1HB      ASN  70   7.639   0.200  14.176
  466   HD21  ASN  70          1HD2      ASN  70  10.493   0.652  12.232
  467   HD22  ASN  70          2HD2      ASN  70  10.460   2.349  12.212
  468    H    GLY  71           H        GLY  71   8.365  -2.047  16.745
  469    HA2  GLY  71           2HA      GLY  71   7.401  -1.562  19.053
  470    HA3  GLY  71           1HA      GLY  71   6.556  -0.223  18.276
  Start of MODEL   17
    1    H    GLY   1           1HT      GLY   1 -18.307 -11.098   1.309
    2    HA2  GLY   1           1HA      GLY   1 -18.564 -10.030   3.850
    3    HA3  GLY   1           2HA      GLY   1 -17.082 -10.558   3.054
    4    H    LYS   2           H        LYS   2 -15.561  -8.982   2.973
    5    HA   LYS   2           HA       LYS   2 -16.149  -6.229   3.570
    6    HB2  LYS   2           2HB      LYS   2 -13.861  -7.776   3.488
    7    HB3  LYS   2           1HB      LYS   2 -13.652  -6.710   2.099
    8    HG2  LYS   2           2HG      LYS   2 -14.660  -5.350   4.508
    9    HG3  LYS   2           1HG      LYS   2 -13.042  -6.026   4.688
   10    HD2  LYS   2           2HD      LYS   2 -12.839  -4.906   2.215
   11    HD3  LYS   2           1HD      LYS   2 -13.974  -3.795   2.983
   12    HE2  LYS   2           2HE      LYS   2 -12.246  -2.826   4.043
   13    HE3  LYS   2           1HE      LYS   2 -11.969  -4.339   4.906
   14    HZ1  LYS   2           3HZ      LYS   2 -10.992  -4.445   2.230
   15    HZ2  LYS   2           1HZ      LYS   2 -10.180  -4.759   3.685
   16    HZ3  LYS   2           2HZ      LYS   2 -10.284  -3.168   3.097
   17    H    GLU   3           H        GLU   3 -17.179  -4.879   2.189
   18    HA   GLU   3           HA       GLU   3 -16.794  -5.289  -0.747
   19    HB2  GLU   3           2HB      GLU   3 -18.871  -3.749  -0.836
   20    HB3  GLU   3           1HB      GLU   3 -19.113  -5.401  -0.266
   21    HG2  GLU   3           2HG      GLU   3 -19.167  -4.712   2.019
   22    HG3  GLU   3           1HG      GLU   3 -18.548  -3.108   1.622
   23    H    CYS   4           H        CYS   4 -14.987  -3.816   1.168
   24    HA   CYS   4           HA       CYS   4 -15.103  -1.181  -0.235
   25    HB2  CYS   4           2HB      CYS   4 -15.033  -1.779   2.630
   26    HB3  CYS   4           1HB      CYS   4 -13.737  -0.693   2.132
   27    H    ASP   5           H        ASP   5 -13.465  -1.470  -1.728
   28    HA   ASP   5           HA       ASP   5 -10.971  -2.822  -0.941
   29    HB2  ASP   5           2HB      ASP   5 -12.245  -2.756  -3.302
   30    HB3  ASP   5           1HB      ASP   5 -11.194  -1.359  -3.532
   31    H    CYS   6           H        CYS   6 -12.076   0.064  -0.132
   32    HA   CYS   6           HA       CYS   6  -9.393   1.223   0.074
   33    HB2  CYS   6           2HB      CYS   6  -9.894   3.282  -1.114
   34    HB3  CYS   6           1HB      CYS   6 -10.192   1.929  -2.203
   35    H    SER   7           H        SER   7  -9.625   3.464   1.239
   36    HA   SER   7           HA       SER   7 -11.853   3.207   3.219
   37    HB2  SER   7           2HB      SER   7  -9.947   4.803   4.413
   38    HB3  SER   7           1HB      SER   7 -10.129   3.072   4.682
   39    HG   SER   7           HG       SER   7  -8.414   2.707   3.490
   40    H    SER   8           H        SER   8 -11.351   4.859   0.564
   41    HA   SER   8           HA       SER   8 -12.382   7.400   1.743
   42    HB2  SER   8           2HB      SER   8 -10.290   7.056  -0.411
   43    HB3  SER   8           1HB      SER   8 -11.161   8.567  -0.174
   44    HG   SER   8           HG       SER   8 -10.056   8.919   1.594
   45    HA   PRO   9           HA       PRO   9 -15.559   6.598  -1.247
   46    HB2  PRO   9           2HB      PRO   9 -16.972   8.911  -0.802
   47    HB3  PRO   9           1HB      PRO   9 -17.027   7.508   0.279
   48    HG2  PRO   9           2HG      PRO   9 -15.644  10.120   0.664
   49    HG3  PRO   9           1HG      PRO   9 -16.248   8.982   1.879
   50    HD2  PRO   9           2HD      PRO   9 -13.546   9.280   1.076
   51    HD3  PRO   9           1HD      PRO   9 -14.209   7.949   2.048
   52    H    GLU  10           H        GLU  10 -13.568   9.488  -1.203
   53    HA   GLU  10           HA       GLU  10 -14.403  10.156  -3.982
   54    HB2  GLU  10           2HB      GLU  10 -13.015  12.224  -3.597
   55    HB3  GLU  10           1HB      GLU  10 -14.379  12.062  -2.490
   56    HG2  GLU  10           2HG      GLU  10 -13.024  11.888  -0.689
   57    HG3  GLU  10           1HG      GLU  10 -11.967  10.733  -1.503
   58    H    ASN  11           H        ASN  11 -12.564   7.889  -3.001
   59    HA   ASN  11           HA       ASN  11  -9.937   8.598  -4.042
   60    HB2  ASN  11           2HB      ASN  11 -10.363   6.834  -2.284
   61    HB3  ASN  11           1HB      ASN  11 -11.067   5.831  -3.551
   62   HD21  ASN  11          1HD2      ASN  11  -8.396   5.738  -1.890
   63   HD22  ASN  11          2HD2      ASN  11  -7.223   5.441  -3.082
   64    HA   PRO  12           HA       PRO  12 -11.150   7.859  -8.259
   65    HB2  PRO  12           2HB      PRO  12  -8.659   8.286  -9.341
   66    HB3  PRO  12           1HB      PRO  12  -9.744   9.591  -8.832
   67    HG2  PRO  12           2HG      PRO  12  -7.282   8.569  -7.496
   68    HG3  PRO  12           1HG      PRO  12  -8.014  10.180  -7.417
   69    HD2  PRO  12           2HD      PRO  12  -8.217   8.169  -5.436
   70    HD3  PRO  12           1HD      PRO  12  -9.203   9.644  -5.531
   71    H    CYS  13           H        CYS  13  -9.332   5.870  -6.304
   72    HA   CYS  13           HA       CYS  13  -8.561   4.009  -8.493
   73    HB2  CYS  13           2HB      CYS  13  -7.946   3.973  -5.521
   74    HB3  CYS  13           1HB      CYS  13  -7.376   2.772  -6.677
   75    H    CYS  14           H        CYS  14 -10.783   4.373  -5.798
   76    HA   CYS  14           HA       CYS  14 -11.935   1.700  -6.499
   77    HB2  CYS  14           2HB      CYS  14 -12.607   1.422  -4.208
   78    HB3  CYS  14           1HB      CYS  14 -10.907   1.887  -4.192
   79    H    ASP  15           H        ASP  15 -14.097   1.604  -6.896
   80    HA   ASP  15           HA       ASP  15 -15.526   3.985  -7.606
   81    HB2  ASP  15           2HB      ASP  15 -15.816   1.433  -8.296
   82    HB3  ASP  15           1HB      ASP  15 -16.950   1.435  -6.951
   83    H    ALA  16           H        ALA  16 -16.883   5.245  -6.378
   84    HA   ALA  16           HA       ALA  16 -16.923   4.889  -3.501
   85    HB1  ALA  16           1HB      ALA  16 -18.972   6.697  -4.408
   86    HB2  ALA  16           2HB      ALA  16 -17.499   6.977  -5.337
   87    HB3  ALA  16           3HB      ALA  16 -17.463   7.074  -3.576
   88    H    ALA  17           H        ALA  17 -19.164   4.218  -6.142
   89    HA   ALA  17           HA       ALA  17 -21.500   3.730  -4.588
   90    HB1  ALA  17           1HB      ALA  17 -20.651   2.338  -7.147
   91    HB2  ALA  17           2HB      ALA  17 -21.471   3.897  -7.075
   92    HB3  ALA  17           3HB      ALA  17 -22.293   2.443  -6.511
   93    H    THR  18           H        THR  18 -19.039   1.407  -5.771
   94    HA   THR  18           HA       THR  18 -20.098  -0.575  -3.824
   95    HB   THR  18           HB       THR  18 -19.817  -1.475  -6.042
   96    HG1  THR  18           1HG      THR  18 -17.821  -2.849  -5.537
   97   HG21  THR  18          3HG2      THR  18 -17.368  -1.454  -6.956
   98   HG22  THR  18          1HG2      THR  18 -17.163  -0.076  -5.876
   99   HG23  THR  18          2HG2      THR  18 -18.369  -0.016  -7.160
  100    H    CYS  19           H        CYS  19 -17.802   1.829  -3.895
  101    HA   CYS  19           HA       CYS  19 -15.885   2.252  -2.598
  102    HB2  CYS  19           2HB      CYS  19 -17.510   1.818  -0.786
  103    HB3  CYS  19           1HB      CYS  19 -17.163   0.094  -0.887
  104    H    LYS  20           H        LYS  20 -15.716   0.231  -4.729
  105    HA   LYS  20           HA       LYS  20 -13.415  -1.323  -3.617
  106    HB2  LYS  20           2HB      LYS  20 -15.799  -2.290  -5.131
  107    HB3  LYS  20           1HB      LYS  20 -14.246  -3.061  -5.457
  108    HG2  LYS  20           2HG      LYS  20 -14.516  -2.759  -2.628
  109    HG3  LYS  20           1HG      LYS  20 -15.998  -3.487  -3.244
  110    HD2  LYS  20           2HD      LYS  20 -14.457  -5.069  -4.575
  111    HD3  LYS  20           1HD      LYS  20 -13.167  -4.500  -3.514
  112    HE2  LYS  20           2HE      LYS  20 -14.112  -5.462  -1.620
  113    HE3  LYS  20           1HE      LYS  20 -15.743  -5.423  -2.289
  114    HZ1  LYS  20           3HZ      LYS  20 -13.595  -7.361  -2.736
  115    HZ2  LYS  20           1HZ      LYS  20 -14.668  -7.055  -4.013
  116    HZ3  LYS  20           2HZ      LYS  20 -15.261  -7.619  -2.525
  117    H    LEU  21           H        LEU  21 -12.145  -2.291  -5.650
  118    HA   LEU  21           HA       LEU  21 -11.127  -0.073  -7.117
  119    HB2  LEU  21           2HB      LEU  21 -10.867  -3.051  -7.331
  120    HB3  LEU  21           1HB      LEU  21 -10.263  -2.052  -8.653
  121    HG   LEU  21           HG       LEU  21  -9.484  -0.985  -6.056
  122   HD11  LEU  21          1HD1      LEU  21  -9.575  -3.725  -6.027
  123   HD12  LEU  21          2HD1      LEU  21  -8.448  -2.757  -5.075
  124   HD13  LEU  21          3HD1      LEU  21  -7.941  -3.435  -6.623
  125   HD21  LEU  21          3HD2      LEU  21  -8.593  -0.927  -8.661
  126   HD22  LEU  21          1HD2      LEU  21  -7.443  -2.031  -7.907
  127   HD23  LEU  21          2HD2      LEU  21  -7.649  -0.401  -7.268
  128    H    ARG  22           H        ARG  22 -12.207   1.048  -8.667
  129    HA   ARG  22           HA       ARG  22 -14.387  -0.260 -10.162
  130    HB2  ARG  22           2HB      ARG  22 -14.072   2.294  -9.236
  131    HB3  ARG  22           1HB      ARG  22 -13.612   2.482 -10.929
  132    HG2  ARG  22           2HG      ARG  22 -16.133   1.040 -10.084
  133    HG3  ARG  22           1HG      ARG  22 -16.095   2.771 -10.425
  134    HD2  ARG  22           2HD      ARG  22 -15.687   2.457 -12.687
  135    HD3  ARG  22           1HD      ARG  22 -14.916   0.890 -12.436
  136    HE   ARG  22           HE       ARG  22 -17.615   0.583 -11.682
  137   HH11  ARG  22          1HH2      ARG  22 -15.505   0.440 -14.326
  138   HH12  ARG  22          2HH2      ARG  22 -16.746   0.218 -15.512
  139   HH21  ARG  22          1HH1      ARG  22 -19.345   0.710 -13.270
  140   HH22  ARG  22          2HH1      ARG  22 -18.921   0.372 -14.915
  141    HA   PRO  23           HA       PRO  23 -11.443   0.776 -13.762
  142    HB2  PRO  23           2HB      PRO  23  -8.964   1.790 -13.152
  143    HB3  PRO  23           1HB      PRO  23 -10.395   2.802 -13.418
  144    HG2  PRO  23           2HG      PRO  23  -9.012   2.153 -10.866
  145    HG3  PRO  23           1HG      PRO  23 -10.042   3.538 -11.262
  146    HD2  PRO  23           2HD      PRO  23 -10.795   1.225  -9.777
  147    HD3  PRO  23           1HD      PRO  23 -11.874   2.515 -10.349
  148    H    GLY  24           H        GLY  24  -9.295  -0.223 -14.649
  149    HA2  GLY  24           2HA      GLY  24  -8.971  -2.855 -13.472
  150    HA3  GLY  24           1HA      GLY  24  -8.070  -2.226 -14.851
  151    H    ALA  25           H        ALA  25  -8.354  -1.351 -11.383
  152    HA   ALA  25           HA       ALA  25  -5.401  -0.984 -11.345
  153    HB1  ALA  25           1HB      ALA  25  -6.392  -0.170  -8.879
  154    HB2  ALA  25           2HB      ALA  25  -7.666   0.293 -10.007
  155    HB3  ALA  25           3HB      ALA  25  -6.023   0.887 -10.241
  156    H    GLN  26           H        GLN  26  -4.357  -1.677  -9.202
  157    HA   GLN  26           HA       GLN  26  -5.276  -4.437  -8.606
  158    HB2  GLN  26           2HB      GLN  26  -2.723  -3.206  -8.913
  159    HB3  GLN  26           1HB      GLN  26  -2.849  -3.750  -7.239
  160    HG2  GLN  26           2HG      GLN  26  -2.742  -5.930  -7.834
  161    HG3  GLN  26           1HG      GLN  26  -3.910  -5.709  -9.137
  162   HE21  GLN  26          1HE2      GLN  26  -2.825  -4.216 -11.025
  163   HE22  GLN  26          2HE2      GLN  26  -1.286  -4.742 -11.507
  164    H    CYS  27           H        CYS  27  -4.542  -1.357  -7.000
  165    HA   CYS  27           HA       CYS  27  -6.160  -2.313  -4.703
  166    HB2  CYS  27           2HB      CYS  27  -4.452  -2.239  -3.231
  167    HB3  CYS  27           1HB      CYS  27  -3.367  -2.096  -4.604
  168    H    GLY  28           H        GLY  28  -6.627  -0.311  -3.217
  169    HA2  GLY  28           2HA      GLY  28  -7.414   1.916  -5.029
  170    HA3  GLY  28           1HA      GLY  28  -8.205   1.533  -3.504
  171    H    GLU  29           H        GLU  29  -5.930   1.234  -1.895
  172    HA   GLU  29           HA       GLU  29  -4.403   3.746  -2.180
  173    HB2  GLU  29           2HB      GLU  29  -5.029   4.460   0.093
  174    HB3  GLU  29           1HB      GLU  29  -6.431   4.390  -0.962
  175    HG2  GLU  29           2HG      GLU  29  -7.412   2.807   0.301
  176    HG3  GLU  29           1HG      GLU  29  -5.946   1.828   0.317
  177    H    GLY  30           H        GLY  30  -2.491   3.760  -0.813
  178    HA2  GLY  30           2HA      GLY  30  -1.711   2.026   1.175
  179    HA3  GLY  30           1HA      GLY  30  -1.472   1.071  -0.288
  180    H    LEU  31           H        LEU  31   0.753   1.628   1.183
  181    HA   LEU  31           HA       LEU  31   2.060   4.083   0.312
  182    HB2  LEU  31           2HB      LEU  31   3.019   1.584   1.720
  183    HB3  LEU  31           1HB      LEU  31   4.120   2.880   1.264
  184    HG   LEU  31           HG       LEU  31   1.750   3.058   3.133
  185   HD11  LEU  31          1HD1      LEU  31   4.742   3.352   3.414
  186   HD12  LEU  31          2HD1      LEU  31   3.665   2.264   4.291
  187   HD13  LEU  31          3HD1      LEU  31   3.626   3.997   4.618
  188   HD21  LEU  31          3HD2      LEU  31   1.604   5.096   1.975
  189   HD22  LEU  31          1HD2      LEU  31   3.349   5.190   1.731
  190   HD23  LEU  31          2HD2      LEU  31   2.665   5.501   3.326
  191    H    CYS  32           H        CYS  32   1.880   0.762  -0.808
  192    HA   CYS  32           HA       CYS  32   3.872   1.404  -2.933
  193    HB2  CYS  32           2HB      CYS  32   2.809  -1.363  -2.551
  194    HB3  CYS  32           1HB      CYS  32   4.412  -0.843  -3.057
  195    H    CYS  33           H        CYS  33   1.232   2.479  -3.108
  196    HA   CYS  33           HA       CYS  33   0.189   0.882  -5.407
  197    HB2  CYS  33           2HB      CYS  33  -1.268   2.300  -3.197
  198    HB3  CYS  33           1HB      CYS  33  -2.039   2.112  -4.771
  199    H    GLU  34           H        GLU  34   1.085   2.020  -7.098
  200    HA   GLU  34           HA       GLU  34   0.687   4.977  -7.124
  201    HB2  GLU  34           2HB      GLU  34   2.459   5.070  -8.779
  202    HB3  GLU  34           1HB      GLU  34   3.032   4.104  -7.419
  203    HG2  GLU  34           2HG      GLU  34   2.332   2.041  -8.661
  204    HG3  GLU  34           1HG      GLU  34   1.943   3.060 -10.047
  205    H    GLN  35           H        GLN  35  -0.739   5.803  -8.601
  206    HA   GLN  35           HA       GLN  35  -2.306   5.853 -10.339
  207    HB2  GLN  35           2HB      GLN  35  -0.539   3.628 -11.402
  208    HB3  GLN  35           1HB      GLN  35  -1.825   4.412 -12.322
  209    HG2  GLN  35           2HG      GLN  35   0.422   5.978 -11.043
  210    HG3  GLN  35           1HG      GLN  35   0.538   5.334 -12.681
  211   HE21  GLN  35          1HE2      GLN  35   0.241   8.221 -11.607
  212   HE22  GLN  35          2HE2      GLN  35  -1.068   8.847 -12.488
  213    H    CYS  36           H        CYS  36  -2.719   4.191  -7.960
  214    HA   CYS  36           HA       CYS  36  -4.383   2.722  -7.199
  215    HB2  CYS  36           2HB      CYS  36  -5.272   2.573 -10.091
  216    HB3  CYS  36           1HB      CYS  36  -6.231   2.195  -8.655
  217    H    LYS  37           H        LYS  37  -1.800   1.913  -8.937
  218    HA   LYS  37           HA       LYS  37  -2.541  -0.987  -9.047
  219    HB2  LYS  37           2HB      LYS  37  -0.240   0.267 -10.549
  220    HB3  LYS  37           1HB      LYS  37  -1.017  -1.289 -10.842
  221    HG2  LYS  37           2HG      LYS  37  -3.166   0.133 -11.255
  222    HG3  LYS  37           1HG      LYS  37  -2.036   1.471 -11.466
  223    HD2  LYS  37           2HD      LYS  37  -1.040  -0.793 -12.913
  224    HD3  LYS  37           1HD      LYS  37  -2.728  -0.539 -13.359
  225    HE2  LYS  37           2HE      LYS  37  -0.691   1.698 -13.284
  226    HE3  LYS  37           1HE      LYS  37  -1.042   0.768 -14.740
  227    HZ1  LYS  37           3HZ      LYS  37  -2.688   2.200 -15.073
  228    HZ2  LYS  37           1HZ      LYS  37  -2.558   2.854 -13.513
  229    HZ3  LYS  37           2HZ      LYS  37  -3.496   1.461 -13.773
  230    H    PHE  38           H        PHE  38  -0.470  -2.401  -8.719
  231    HA   PHE  38           HA       PHE  38   0.704  -1.603  -6.165
  232    HB2  PHE  38           2HB      PHE  38   1.019  -4.025  -7.947
  233    HB3  PHE  38           1HB      PHE  38   2.011  -3.796  -6.509
  234    HD1  PHE  38           2HD      PHE  38   0.160  -2.547  -4.618
  235    HD2  PHE  38           1HD      PHE  38  -0.512  -5.730  -7.422
  236    HE1  PHE  38           2HE      PHE  38  -1.681  -3.411  -3.198
  237    HE2  PHE  38           1HE      PHE  38  -2.354  -6.591  -6.002
  238    HZ   PHE  38           HZ       PHE  38  -2.939  -5.431  -3.890
  239    H    SER  39           H        SER  39   2.563  -0.451  -5.966
  240    HA   SER  39           HA       SER  39   4.089   0.422  -8.223
  241    HB2  SER  39           2HB      SER  39   5.112   0.271  -5.379
  242    HB3  SER  39           1HB      SER  39   5.582   1.413  -6.635
  243    HG   SER  39           HG       SER  39   3.139   1.860  -6.552
  244    H    ARG  40           H        ARG  40   6.751  -0.168  -6.892
  245    HA   ARG  40           HA       ARG  40   6.966  -3.019  -7.778
  246    HB2  ARG  40           2HB      ARG  40   9.166  -0.943  -7.940
  247    HB3  ARG  40           1HB      ARG  40   9.134  -2.538  -8.691
  248    HG2  ARG  40           2HG      ARG  40   8.395  -1.417 -10.527
  249    HG3  ARG  40           1HG      ARG  40   6.840  -1.424  -9.693
  250    HD2  ARG  40           2HD      ARG  40   7.069   0.845 -10.107
  251    HD3  ARG  40           1HD      ARG  40   7.835   0.737  -8.522
  252    HE   ARG  40           HE       ARG  40   9.165   1.479 -10.953
  253   HH11  ARG  40          1HH1      ARG  40  10.005   1.840  -7.992
  254   HH12  ARG  40          2HH1      ARG  40  11.505   0.974  -7.991
  255   HH21  ARG  40          1HH2      ARG  40  10.898  -0.616 -11.011
  256   HH22  ARG  40          2HH2      ARG  40  12.010  -0.415  -9.698
  257    H    ALA  41           H        ALA  41   8.658  -4.263  -6.640
  258    HA   ALA  41           HA       ALA  41   8.665  -3.725  -3.793
  259    HB1  ALA  41           1HB      ALA  41  10.578  -5.634  -5.121
  260    HB2  ALA  41           2HB      ALA  41   8.856  -6.008  -5.074
  261    HB3  ALA  41           3HB      ALA  41   9.752  -5.793  -3.571
  262    H    GLY  42           H        GLY  42  10.824  -3.672  -2.568
  263    HA2  GLY  42           2HA      GLY  42  12.905  -2.631  -2.183
  264    HA3  GLY  42           1HA      GLY  42  13.136  -2.585  -3.929
  265    H    LYS  43           H        LYS  43  10.196  -1.271  -2.601
  266    HA   LYS  43           HA       LYS  43  11.145   1.421  -3.466
  267    HB2  LYS  43           2HB      LYS  43   9.102   1.518  -4.402
  268    HB3  LYS  43           1HB      LYS  43   8.627   0.015  -3.627
  269    HG2  LYS  43           2HG      LYS  43   7.075   1.721  -2.910
  270    HG3  LYS  43           1HG      LYS  43   8.118   1.367  -1.537
  271    HD2  LYS  43           2HD      LYS  43   8.222   3.683  -1.532
  272    HD3  LYS  43           1HD      LYS  43   9.584   3.321  -2.594
  273    HE2  LYS  43           2HE      LYS  43   8.412   4.905  -3.851
  274    HE3  LYS  43           1HE      LYS  43   7.772   3.393  -4.492
  275    HZ1  LYS  43           3HZ      LYS  43   6.215   5.331  -3.648
  276    HZ2  LYS  43           1HZ      LYS  43   6.432   4.536  -2.166
  277    HZ3  LYS  43           2HZ      LYS  43   5.781   3.696  -3.493
  278    H    ILE  44           H        ILE  44  11.747   2.882  -1.979
  279    HA   ILE  44           HA       ILE  44  11.741   2.340   0.817
  280    HB   ILE  44           HB       ILE  44  13.346   3.892  -0.069
  281   HG12  ILE  44          2HG1      ILE  44  12.802   5.971   1.301
  282   HG13  ILE  44          1HG1      ILE  44  11.248   5.222   1.667
  283   HG21  ILE  44          1HG2      ILE  44  11.038   4.850  -1.505
  284   HG22  ILE  44          2HG2      ILE  44  12.744   5.183  -1.804
  285   HG23  ILE  44          3HG2      ILE  44  11.832   6.193  -0.682
  286   HD11  ILE  44          3HD1      ILE  44  13.416   4.862   3.215
  287   HD12  ILE  44          1HD1      ILE  44  13.669   3.543   2.072
  288   HD13  ILE  44          2HD1      ILE  44  12.181   3.619   3.016
  289    H    CYS  45           H        CYS  45   9.543   1.804   1.375
  290    HA   CYS  45           HA       CYS  45   7.350   3.636   0.918
  291    HB2  CYS  45           2HB      CYS  45   6.243   2.252   2.765
  292    HB3  CYS  45           1HB      CYS  45   6.760   1.359   1.339
  293    H    ARG  46           H        ARG  46   9.725   3.200   3.470
  294    HA   ARG  46           HA       ARG  46   9.111   5.859   4.520
  295    HB2  ARG  46           2HB      ARG  46   8.262   3.365   5.932
  296    HB3  ARG  46           1HB      ARG  46   8.911   4.685   6.907
  297    HG2  ARG  46           2HG      ARG  46   7.269   6.172   5.502
  298    HG3  ARG  46           1HG      ARG  46   6.448   4.644   5.184
  299    HD2  ARG  46           2HD      ARG  46   7.071   4.732   7.968
  300    HD3  ARG  46           1HD      ARG  46   6.309   6.263   7.537
  301    HE   ARG  46           HE       ARG  46   5.061   3.589   7.049
  302   HH11  ARG  46          1HH2      ARG  46   4.432   6.513   5.852
  303   HH12  ARG  46          2HH2      ARG  46   2.943   6.803   6.688
  304   HH21  ARG  46          1HH1      ARG  46   3.358   4.156   8.888
  305   HH22  ARG  46          2HH1      ARG  46   2.334   5.467   8.406
  306    H    ILE  47           H        ILE  47  10.734   6.544   6.104
  307    HA   ILE  47           HA       ILE  47  13.315   5.199   5.643
  308    HB   ILE  47           HB       ILE  47  12.963   7.731   5.587
  309   HG12  ILE  47          2HG1      ILE  47  15.038   7.453   7.610
  310   HG13  ILE  47          1HG1      ILE  47  15.127   6.159   6.415
  311   HG21  ILE  47          1HG2      ILE  47  11.807   7.254   8.073
  312   HG22  ILE  47          2HG2      ILE  47  12.266   8.833   7.435
  313   HG23  ILE  47          3HG2      ILE  47  13.379   7.943   8.474
  314   HD11  ILE  47          3HD1      ILE  47  14.601   8.547   4.982
  315   HD12  ILE  47          1HD1      ILE  47  16.088   7.597   4.980
  316   HD13  ILE  47          2HD1      ILE  47  15.887   8.919   6.129
  317    H    ALA  48           H        ALA  48  14.749   4.705   7.513
  318    HA   ALA  48           HA       ALA  48  13.137   3.706   9.820
  319    HB1  ALA  48           1HB      ALA  48  15.547   2.708   8.380
  320    HB2  ALA  48           2HB      ALA  48  14.205   1.806   9.084
  321    HB3  ALA  48           3HB      ALA  48  15.487   2.431  10.121
  322    H    ARG  49           H        ARG  49  14.197   3.857  11.969
  323    HA   ARG  49           HA       ARG  49  16.286   5.967  12.163
  324    HB2  ARG  49           2HB      ARG  49  14.873   6.887  14.145
  325    HB3  ARG  49           1HB      ARG  49  14.384   7.317  12.506
  326    HG2  ARG  49           2HG      ARG  49  12.710   5.537  12.499
  327    HG3  ARG  49           1HG      ARG  49  13.238   5.003  14.096
  328    HD2  ARG  49           2HD      ARG  49  12.417   6.955  15.150
  329    HD3  ARG  49           1HD      ARG  49  12.303   7.833  13.624
  330    HE   ARG  49           HE       ARG  49  10.557   5.692  13.314
  331   HH11  ARG  49          1HH2      ARG  49  10.583   8.820  14.475
  332   HH12  ARG  49          2HH2      ARG  49   9.114   8.694  15.384
  333   HH21  ARG  49          1HH1      ARG  49   8.835   5.264  14.960
  334   HH22  ARG  49          2HH1      ARG  49   8.125   6.681  15.661
  335    H    GLY  50           H        GLY  50  17.881   4.906  13.252
  336    HA2  GLY  50           2HA      GLY  50  18.179   4.277  15.796
  337    HA3  GLY  50           1HA      GLY  50  17.119   2.945  15.356
  338    H    ASP  51           H        ASP  51  18.012   2.126  12.980
  339    HA   ASP  51           HA       ASP  51  20.788   2.028  12.498
  340    HB2  ASP  51           2HB      ASP  51  20.031   0.542  14.818
  341    HB3  ASP  51           1HB      ASP  51  20.504  -0.601  13.561
  342    H    TRP  52           H        TRP  52  18.110  -0.291  12.754
  343    HA   TRP  52           HA       TRP  52  18.635  -1.912  10.566
  344    HB2  TRP  52           2HB      TRP  52  16.053  -1.949  10.276
  345    HB3  TRP  52           1HB      TRP  52  16.720  -2.482  11.818
  346    HD1  TRP  52           HD       TRP  52  14.935   0.480  10.185
  347    HE1  TRP  52           1HE      TRP  52  13.900   1.944  12.038
  348    HE3  TRP  52           3HE      TRP  52  16.871  -1.822  14.312
  349    HZ2  TRP  52           2HZ      TRP  52  13.895   2.116  14.892
  350    HZ3  TRP  52           3HZ      TRP  52  16.335  -0.987  16.584
  351    HH2  TRP  52           HH       TRP  52  14.851   0.978  16.878
  352    H    ASN  53           H        ASN  53  17.948  -1.836   8.318
  353    HA   ASN  53           HA       ASN  53  18.503   0.660   7.036
  354    HB2  ASN  53           2HB      ASN  53  17.053  -1.725   5.854
  355    HB3  ASN  53           1HB      ASN  53  17.927  -0.474   4.968
  356   HD21  ASN  53          1HD2      ASN  53  18.355  -3.574   5.560
  357   HD22  ASN  53          2HD2      ASN  53  20.013  -3.641   5.921
  358    H    ASP  54           H        ASP  54  16.771   1.390   5.235
  359    HA   ASP  54           HA       ASP  54  14.587   2.567   6.707
  360    HB2  ASP  54           2HB      ASP  54  14.783   2.374   3.695
  361    HB3  ASP  54           1HB      ASP  54  14.004   3.632   4.655
  362    H    ASP  55           H        ASP  55  12.703   2.118   4.304
  363    HA   ASP  55           HA       ASP  55  11.883  -0.679   4.947
  364    HB2  ASP  55           2HB      ASP  55  10.017   1.707   4.797
  365    HB3  ASP  55           1HB      ASP  55   9.555   0.040   5.141
  366    H    ARG  56           H        ARG  56  11.642  -1.804   3.081
  367    HA   ARG  56           HA       ARG  56  11.260  -0.272   0.548
  368    HB2  ARG  56           2HB      ARG  56  12.069  -3.170   0.818
  369    HB3  ARG  56           1HB      ARG  56  12.271  -2.106  -0.573
  370    HG2  ARG  56           2HG      ARG  56  13.518  -1.013   1.827
  371    HG3  ARG  56           1HG      ARG  56  14.179  -2.590   1.393
  372    HD2  ARG  56           2HD      ARG  56  14.509  -1.772  -0.939
  373    HD3  ARG  56           1HD      ARG  56  13.949  -0.179  -0.431
  374    HE   ARG  56           HE       ARG  56  16.036   0.166   0.627
  375   HH11  ARG  56          1HH1      ARG  56  16.227  -2.226   2.310
  376   HH12  ARG  56          2HH1      ARG  56  17.532  -3.113   1.596
  377   HH21  ARG  56          1HH2      ARG  56  17.431  -1.366  -1.397
  378   HH22  ARG  56          2HH2      ARG  56  18.214  -2.626  -0.503
  379    H    CYS  57           H        CYS  57   9.479  -0.596  -0.706
  380    HA   CYS  57           HA       CYS  57   7.187  -1.964   0.402
  381    HB2  CYS  57           2HB      CYS  57   7.816  -0.457  -2.072
  382    HB3  CYS  57           1HB      CYS  57   6.511  -1.630  -2.200
  383    H    THR  58           H        THR  58   6.255  -3.923  -0.332
  384    HA   THR  58           HA       THR  58   8.127  -5.950  -1.180
  385    HB   THR  58           HB       THR  58   5.394  -6.774  -1.548
  386    HG1  THR  58           1HG      THR  58   4.777  -5.093  -0.257
  387   HG21  THR  58          3HG2      THR  58   7.497  -8.049  -0.789
  388   HG22  THR  58          1HG2      THR  58   5.991  -8.413   0.053
  389   HG23  THR  58          2HG2      THR  58   7.189  -7.359   0.805
  390    H    GLY  59           H        GLY  59   6.007  -3.783  -2.854
  391    HA2  GLY  59           2HA      GLY  59   6.068  -3.384  -5.212
  392    HA3  GLY  59           1HA      GLY  59   6.932  -4.907  -5.422
  393    H    GLN  60           H        GLN  60   4.724  -6.031  -3.505
  394    HA   GLN  60           HA       GLN  60   2.590  -6.260  -5.588
  395    HB2  GLN  60           2HB      GLN  60   3.690  -8.464  -3.817
  396    HB3  GLN  60           1HB      GLN  60   2.323  -8.632  -4.920
  397    HG2  GLN  60           2HG      GLN  60   3.769  -8.078  -6.826
  398    HG3  GLN  60           1HG      GLN  60   5.140  -7.863  -5.737
  399   HE21  GLN  60          1HE2      GLN  60   6.104  -9.682  -7.120
  400   HE22  GLN  60          2HE2      GLN  60   5.729 -11.283  -6.697
  401    H    SER  61           H        SER  61   3.317  -5.239  -2.518
  402    HA   SER  61           HA       SER  61   0.560  -5.859  -1.530
  403    HB2  SER  61           2HB      SER  61   3.084  -6.149  -0.273
  404    HB3  SER  61           1HB      SER  61   2.282  -4.797   0.522
  405    HG   SER  61           HG       SER  61   0.901  -7.190  -0.041
  406    H    ALA  62           H        ALA  62  -0.787  -4.135  -1.698
  407    HA   ALA  62           HA       ALA  62  -0.166  -1.551  -2.486
  408    HB1  ALA  62           1HB      ALA  62  -2.470  -1.963  -2.353
  409    HB2  ALA  62           2HB      ALA  62  -2.219  -0.907  -0.964
  410    HB3  ALA  62           3HB      ALA  62  -2.351  -2.651  -0.734
  411    H    ASP  63           H        ASP  63  -0.268  -2.759   0.873
  412    HA   ASP  63           HA       ASP  63   0.833  -0.201   1.845
  413    HB2  ASP  63           2HB      ASP  63   0.447  -2.721   3.469
  414    HB3  ASP  63           1HB      ASP  63   0.478  -1.050   4.035
  415    H    CYS  64           H        CYS  64   2.744  -0.554   3.516
  416    HA   CYS  64           HA       CYS  64   4.798  -2.186   2.086
  417    HB2  CYS  64           2HB      CYS  64   5.382   0.155   2.101
  418    HB3  CYS  64           1HB      CYS  64   5.037   0.283   3.826
  419    HA   PRO  65           HA       PRO  65   4.905  -4.740   5.640
  420    HB2  PRO  65           2HB      PRO  65   7.071  -6.197   4.811
  421    HB3  PRO  65           1HB      PRO  65   5.440  -6.462   4.199
  422    HG2  PRO  65           2HG      PRO  65   7.778  -5.190   2.875
  423    HG3  PRO  65           1HG      PRO  65   6.370  -5.981   2.149
  424    HD2  PRO  65           2HD      PRO  65   6.780  -3.194   2.369
  425    HD3  PRO  65           1HD      PRO  65   5.258  -3.999   1.937
  426    H    ARG  66           H        ARG  66   6.082  -4.703   7.588
  427    HA   ARG  66           HA       ARG  66   8.522  -2.975   7.580
  428    HB2  ARG  66           2HB      ARG  66   7.916  -2.724  10.072
  429    HB3  ARG  66           1HB      ARG  66   6.870  -1.913   8.906
  430    HG2  ARG  66           2HG      ARG  66   5.097  -3.249   9.381
  431    HG3  ARG  66           1HG      ARG  66   6.098  -4.698   9.475
  432    HD2  ARG  66           2HD      ARG  66   6.527  -4.428  11.725
  433    HD3  ARG  66           1HD      ARG  66   6.398  -2.670  11.646
  434    HE   ARG  66           HE       ARG  66   4.288  -4.368  12.427
  435   HH11  ARG  66          1HH2      ARG  66   3.166  -4.016   9.751
  436   HH12  ARG  66          2HH2      ARG  66   2.316  -2.511   9.863
  437   HH21  ARG  66          1HH1      ARG  66   3.954  -1.495  12.746
  438   HH22  ARG  66          2HH1      ARG  66   2.762  -1.085  11.558
  439    H    ASN  67           H        ASN  67  10.185  -3.547   9.178
  440    HA   ASN  67           HA       ASN  67  10.652  -6.441   9.229
  441    HB2  ASN  67           2HB      ASN  67  12.846  -5.837  10.114
  442    HB3  ASN  67           1HB      ASN  67  12.464  -4.763   8.773
  443   HD21  ASN  67          1HD2      ASN  67  13.489  -4.802  12.003
  444   HD22  ASN  67          2HD2      ASN  67  13.165  -3.185  12.391
  445    HA   PRO  68           HA       PRO  68   9.338  -7.096  13.376
  446    HB2  PRO  68           2HB      PRO  68  11.141  -9.022  14.174
  447    HB3  PRO  68           1HB      PRO  68   9.800  -9.330  13.057
  448    HG2  PRO  68           2HG      PRO  68  12.706  -9.116  12.492
  449    HG3  PRO  68           1HG      PRO  68  11.441  -9.930  11.559
  450    HD2  PRO  68           2HD      PRO  68  12.611  -7.400  10.986
  451    HD3  PRO  68           1HD      PRO  68  11.207  -8.124  10.183
  452    H    TRP  69           H        TRP  69  11.594  -5.009  12.956
  453    HA   TRP  69           HA       TRP  69  12.473  -4.980  15.801
  454    HB2  TRP  69           2HB      TRP  69  14.308  -4.113  13.569
  455    HB3  TRP  69           1HB      TRP  69  14.717  -4.533  15.234
  456    HD1  TRP  69           HD       TRP  69  13.494  -7.205  15.732
  457    HE1  TRP  69           1HE      TRP  69  14.101  -9.320  14.402
  458    HE3  TRP  69           3HE      TRP  69  15.377  -5.066  11.495
  459    HZ2  TRP  69           2HZ      TRP  69  15.223 -10.019  11.878
  460    HZ3  TRP  69           3HZ      TRP  69  16.202  -6.490   9.639
  461    HH2  TRP  69           HH       TRP  69  16.119  -8.960   9.831
  462    H    ASN  70           H        ASN  70  11.023  -3.311  13.230
  463    HA   ASN  70           HA       ASN  70  11.513  -0.711  14.628
  464    HB2  ASN  70           2HB      ASN  70  12.451  -0.699  12.355
  465    HB3  ASN  70           1HB      ASN  70  10.890  -1.193  11.698
  466   HD21  ASN  70          1HD2      ASN  70  11.798   1.174  10.684
  467   HD22  ASN  70          2HD2      ASN  70  10.984   2.495  11.372
  468    H    GLY  71           H        GLY  71   9.699  -0.850  16.002
  469    HA2  GLY  71           2HA      GLY  71   7.415   0.086  16.127
  470    HA3  GLY  71           1HA      GLY  71   7.070  -0.705  14.588
  Start of MODEL   18
    1    H    GLY   1           1HT      GLY   1 -21.003  -4.427   0.335
    2    HA2  GLY   1           1HA      GLY   1 -22.544  -4.344  -1.567
    3    HA3  GLY   1           2HA      GLY   1 -21.389  -3.283  -2.377
    4    H    LYS   2           H        LYS   2 -19.054  -4.230  -2.388
    5    HA   LYS   2           HA       LYS   2 -19.229  -7.169  -2.891
    6    HB2  LYS   2           2HB      LYS   2 -18.987  -5.775  -4.968
    7    HB3  LYS   2           1HB      LYS   2 -17.438  -5.212  -4.339
    8    HG2  LYS   2           2HG      LYS   2 -16.474  -7.039  -5.228
    9    HG3  LYS   2           1HG      LYS   2 -17.389  -8.020  -4.083
   10    HD2  LYS   2           2HD      LYS   2 -18.730  -7.059  -6.591
   11    HD3  LYS   2           1HD      LYS   2 -17.650  -8.451  -6.666
   12    HE2  LYS   2           2HE      LYS   2 -19.036  -9.775  -5.384
   13    HE3  LYS   2           1HE      LYS   2 -19.681  -8.406  -4.480
   14    HZ1  LYS   2           3HZ      LYS   2 -21.296  -8.076  -5.972
   15    HZ2  LYS   2           1HZ      LYS   2 -20.981  -9.672  -6.455
   16    HZ3  LYS   2           2HZ      LYS   2 -20.283  -8.375  -7.304
   17    H    GLU   3           H        GLU   3 -16.697  -4.698  -2.503
   18    HA   GLU   3           HA       GLU   3 -15.644  -6.133  -0.197
   19    HB2  GLU   3           2HB      GLU   3 -14.636  -6.736  -2.761
   20    HB3  GLU   3           1HB      GLU   3 -13.399  -5.788  -1.933
   21    HG2  GLU   3           2HG      GLU   3 -13.355  -7.312  -0.076
   22    HG3  GLU   3           1HG      GLU   3 -14.790  -8.158  -0.659
   23    H    CYS   4           H        CYS   4 -14.412  -4.802   1.167
   24    HA   CYS   4           HA       CYS   4 -14.237  -2.002   0.196
   25    HB2  CYS   4           2HB      CYS   4 -13.938  -3.049   3.029
   26    HB3  CYS   4           1HB      CYS   4 -14.026  -1.356   2.546
   27    H    ASP   5           H        ASP   5 -12.326  -1.722  -0.833
   28    HA   ASP   5           HA       ASP   5  -9.865  -2.899   0.368
   29    HB2  ASP   5           2HB      ASP   5 -10.641  -2.979  -2.203
   30    HB3  ASP   5           1HB      ASP   5  -9.791  -1.432  -2.231
   31    H    CYS   6           H        CYS   6 -11.567   0.055  -0.072
   32    HA   CYS   6           HA       CYS   6  -9.165   1.577   0.861
   33    HB2  CYS   6           2HB      CYS   6 -10.273   3.566  -0.195
   34    HB3  CYS   6           1HB      CYS   6  -9.827   2.321  -1.362
   35    H    SER   7           H        SER   7  -9.541   3.116   2.535
   36    HA   SER   7           HA       SER   7 -12.000   2.560   4.109
   37    HB2  SER   7           2HB      SER   7  -9.558   2.502   5.045
   38    HB3  SER   7           1HB      SER   7  -9.699   4.258   5.055
   39    HG   SER   7           HG       SER   7 -11.819   2.783   6.105
   40    H    SER   8           H        SER   8 -11.135   4.683   1.764
   41    HA   SER   8           HA       SER   8 -12.690   6.905   3.030
   42    HB2  SER   8           2HB      SER   8 -10.608   7.158   0.844
   43    HB3  SER   8           1HB      SER   8 -11.426   8.476   1.677
   44    HG   SER   8           HG       SER   8  -9.189   7.351   2.363
   45    HA   PRO   9           HA       PRO   9 -15.452   5.922  -0.336
   46    HB2  PRO   9           2HB      PRO   9 -17.367   7.770   0.352
   47    HB3  PRO   9           1HB      PRO   9 -17.186   6.201   1.156
   48    HG2  PRO   9           2HG      PRO   9 -16.435   8.912   2.143
   49    HG3  PRO   9           1HG      PRO   9 -16.862   7.461   3.064
   50    HD2  PRO   9           2HD      PRO   9 -14.240   8.442   2.639
   51    HD3  PRO   9           1HD      PRO   9 -14.666   6.835   3.267
   52    H    GLU  10           H        GLU  10 -13.679   8.760   0.176
   53    HA   GLU  10           HA       GLU  10 -14.816  10.182  -2.167
   54    HB2  GLU  10           2HB      GLU  10 -13.853  11.158   0.171
   55    HB3  GLU  10           1HB      GLU  10 -12.384  11.211  -0.803
   56    HG2  GLU  10           2HG      GLU  10 -13.315  13.277  -1.319
   57    HG3  GLU  10           1HG      GLU  10 -13.992  12.280  -2.609
   58    H    ASN  11           H        ASN  11 -13.343   7.598  -2.327
   59    HA   ASN  11           HA       ASN  11 -10.945   8.449  -3.881
   60    HB2  ASN  11           2HB      ASN  11 -10.932   6.708  -1.907
   61    HB3  ASN  11           1HB      ASN  11 -11.553   5.609  -3.133
   62   HD21  ASN  11          1HD2      ASN  11  -9.083   4.956  -2.152
   63   HD22  ASN  11          2HD2      ASN  11  -7.861   5.336  -3.266
   64    HA   PRO  12           HA       PRO  12 -13.516   7.338  -7.379
   65    HB2  PRO  12           2HB      PRO  12 -11.712   8.176  -9.279
   66    HB3  PRO  12           1HB      PRO  12 -12.796   9.270  -8.403
   67    HG2  PRO  12           2HG      PRO  12  -9.866   8.846  -8.045
   68    HG3  PRO  12           1HG      PRO  12 -10.843  10.280  -7.692
   69    HD2  PRO  12           2HD      PRO  12  -9.909   8.404  -5.793
   70    HD3  PRO  12           1HD      PRO  12 -11.152   9.641  -5.513
   71    H    CYS  13           H        CYS  13 -10.369   6.145  -6.566
   72    HA   CYS  13           HA       CYS  13 -10.099   4.310  -8.799
   73    HB2  CYS  13           2HB      CYS  13  -8.269   5.252  -7.189
   74    HB3  CYS  13           1HB      CYS  13  -8.771   3.937  -6.125
   75    H    CYS  14           H        CYS  14 -11.261   4.062  -5.445
   76    HA   CYS  14           HA       CYS  14 -12.091   1.254  -6.017
   77    HB2  CYS  14           2HB      CYS  14 -12.203   0.936  -3.631
   78    HB3  CYS  14           1HB      CYS  14 -10.675   1.746  -3.979
   79    H    ASP  15           H        ASP  15 -14.165   0.776  -6.248
   80    HA   ASP  15           HA       ASP  15 -16.222   2.716  -6.474
   81    HB2  ASP  15           2HB      ASP  15 -15.976   0.071  -7.086
   82    HB3  ASP  15           1HB      ASP  15 -17.003  -0.020  -5.656
   83    H    ALA  16           H        ALA  16 -17.229   3.829  -4.856
   84    HA   ALA  16           HA       ALA  16 -16.767   3.218  -2.070
   85    HB1  ALA  16           1HB      ALA  16 -18.970   4.893  -2.114
   86    HB2  ALA  16           2HB      ALA  16 -18.154   5.285  -3.627
   87    HB3  ALA  16           3HB      ALA  16 -17.289   5.425  -2.097
   88    H    ALA  17           H        ALA  17 -19.593   2.845  -4.224
   89    HA   ALA  17           HA       ALA  17 -21.453   1.841  -2.382
   90    HB1  ALA  17           1HB      ALA  17 -20.984   1.521  -5.292
   91    HB2  ALA  17           2HB      ALA  17 -22.465   1.944  -4.431
   92    HB3  ALA  17           3HB      ALA  17 -21.960   0.257  -4.540
   93    H    THR  18           H        THR  18 -19.114  -0.073  -4.306
   94    HA   THR  18           HA       THR  18 -19.540  -2.354  -2.455
   95    HB   THR  18           HB       THR  18 -18.476  -3.705  -4.089
   96    HG1  THR  18           1HG      THR  18 -17.721  -1.745  -5.828
   97   HG21  THR  18          3HG2      THR  18 -20.047  -3.516  -5.717
   98   HG22  THR  18          1HG2      THR  18 -19.604  -1.848  -6.078
   99   HG23  THR  18          2HG2      THR  18 -20.675  -2.201  -4.722
  100    H    CYS  19           H        CYS  19 -17.791   0.320  -2.319
  101    HA   CYS  19           HA       CYS  19 -15.760   1.009  -1.452
  102    HB2  CYS  19           2HB      CYS  19 -15.049  -0.304   0.618
  103    HB3  CYS  19           1HB      CYS  19 -16.650   0.413   0.632
  104    H    LYS  20           H        LYS  20 -15.519  -1.337  -3.607
  105    HA   LYS  20           HA       LYS  20 -12.641  -1.709  -2.878
  106    HB2  LYS  20           2HB      LYS  20 -12.875  -3.853  -4.428
  107    HB3  LYS  20           1HB      LYS  20 -13.150  -3.919  -2.701
  108    HG2  LYS  20           2HG      LYS  20 -15.066  -4.955  -3.370
  109    HG3  LYS  20           1HG      LYS  20 -15.638  -3.300  -3.498
  110    HD2  LYS  20           2HD      LYS  20 -14.364  -4.824  -5.784
  111    HD3  LYS  20           1HD      LYS  20 -16.105  -4.709  -5.538
  112    HE2  LYS  20           2HE      LYS  20 -15.395  -2.081  -5.384
  113    HE3  LYS  20           1HE      LYS  20 -14.207  -2.681  -6.538
  114    HZ1  LYS  20           3HZ      LYS  20 -15.833  -3.341  -8.011
  115    HZ2  LYS  20           1HZ      LYS  20 -16.488  -1.904  -7.395
  116    HZ3  LYS  20           2HZ      LYS  20 -17.047  -3.404  -6.825
  117    H    LEU  21           H        LEU  21 -11.381  -2.465  -4.983
  118    HA   LEU  21           HA       LEU  21 -11.365  -0.236  -6.726
  119    HB2  LEU  21           2HB      LEU  21 -10.180  -2.994  -6.914
  120    HB3  LEU  21           1HB      LEU  21  -9.973  -1.818  -8.214
  121    HG   LEU  21           HG       LEU  21  -9.470  -0.456  -5.772
  122   HD11  LEU  21          1HD1      LEU  21  -8.087  -1.781  -4.520
  123   HD12  LEU  21          2HD1      LEU  21  -7.490  -2.659  -5.926
  124   HD13  LEU  21          3HD1      LEU  21  -9.055  -3.074  -5.229
  125   HD21  LEU  21          3HD2      LEU  21  -7.978   0.396  -7.225
  126   HD22  LEU  21          1HD2      LEU  21  -8.300  -0.928  -8.344
  127   HD23  LEU  21          2HD2      LEU  21  -7.044  -1.097  -7.117
  128    H    ARG  22           H        ARG  22 -12.747   0.318  -8.287
  129    HA   ARG  22           HA       ARG  22 -14.720  -1.583  -9.281
  130    HB2  ARG  22           2HB      ARG  22 -15.742   0.462  -9.190
  131    HB3  ARG  22           1HB      ARG  22 -14.245   1.343  -9.461
  132    HG2  ARG  22           2HG      ARG  22 -15.755   1.635 -11.374
  133    HG3  ARG  22           1HG      ARG  22 -14.333   0.714 -11.866
  134    HD2  ARG  22           2HD      ARG  22 -15.782  -0.828 -12.662
  135    HD3  ARG  22           1HD      ARG  22 -16.092  -1.244 -10.976
  136    HE   ARG  22           HE       ARG  22 -17.872   0.719 -11.233
  137   HH11  ARG  22          1HH1      ARG  22 -17.731   0.910 -14.152
  138   HH12  ARG  22          2HH1      ARG  22 -18.900  -0.251 -14.687
  139   HH21  ARG  22          1HH2      ARG  22 -19.048  -1.901 -11.640
  140   HH22  ARG  22          2HH2      ARG  22 -19.646  -1.843 -13.265
  141    HA   PRO  23           HA       PRO  23 -12.249  -0.983 -13.329
  142    HB2  PRO  23           2HB      PRO  23  -9.867   0.379 -13.176
  143    HB3  PRO  23           1HB      PRO  23 -11.424   1.159 -13.508
  144    HG2  PRO  23           2HG      PRO  23  -9.807   1.192 -11.006
  145    HG3  PRO  23           1HG      PRO  23 -10.986   2.375 -11.596
  146    HD2  PRO  23           2HD      PRO  23 -11.435   0.422  -9.590
  147    HD3  PRO  23           1HD      PRO  23 -12.675   1.409 -10.391
  148    H    GLY  24           H        GLY  24  -9.522  -1.354 -13.893
  149    HA2  GLY  24           2HA      GLY  24  -9.040  -3.934 -12.544
  150    HA3  GLY  24           1HA      GLY  24  -8.182  -3.330 -13.962
  151    H    ALA  25           H        ALA  25  -8.538  -1.091 -11.369
  152    HA   ALA  25           HA       ALA  25  -5.688  -0.856 -11.021
  153    HB1  ALA  25           1HB      ALA  25  -6.604   0.431  -8.853
  154    HB2  ALA  25           2HB      ALA  25  -8.120   0.330  -9.748
  155    HB3  ALA  25           3HB      ALA  25  -6.724   1.135 -10.466
  156    H    GLN  26           H        GLN  26  -4.353  -1.739  -9.412
  157    HA   GLN  26           HA       GLN  26  -5.334  -4.136  -8.089
  158    HB2  GLN  26           2HB      GLN  26  -2.756  -2.839  -8.575
  159    HB3  GLN  26           1HB      GLN  26  -2.862  -3.557  -6.967
  160    HG2  GLN  26           2HG      GLN  26  -2.080  -5.316  -8.353
  161    HG3  GLN  26           1HG      GLN  26  -3.802  -5.642  -8.153
  162   HE21  GLN  26          1HE2      GLN  26  -1.362  -4.464 -10.451
  163   HE22  GLN  26          2HE2      GLN  26  -2.353  -4.572 -11.824
  164    H    CYS  27           H        CYS  27  -4.607  -0.825  -7.083
  165    HA   CYS  27           HA       CYS  27  -6.098  -1.292  -4.590
  166    HB2  CYS  27           2HB      CYS  27  -4.094  -0.112  -3.357
  167    HB3  CYS  27           1HB      CYS  27  -4.064  -1.856  -3.616
  168    H    GLY  28           H        GLY  28  -6.722   0.720  -3.562
  169    HA2  GLY  28           2HA      GLY  28  -6.730   2.968  -5.494
  170    HA3  GLY  28           1HA      GLY  28  -7.832   2.788  -4.135
  171    H    GLU  29           H        GLU  29  -5.694   2.127  -2.243
  172    HA   GLU  29           HA       GLU  29  -4.029   4.568  -2.258
  173    HB2  GLU  29           2HB      GLU  29  -4.839   5.365  -0.168
  174    HB3  GLU  29           1HB      GLU  29  -6.259   5.062  -1.153
  175    HG2  GLU  29           2HG      GLU  29  -7.031   3.520   0.294
  176    HG3  GLU  29           1HG      GLU  29  -5.484   2.674   0.312
  177    H    GLY  30           H        GLY  30  -2.424   4.506  -0.410
  178    HA2  GLY  30           2HA      GLY  30  -1.773   2.646   1.401
  179    HA3  GLY  30           1HA      GLY  30  -1.487   1.718  -0.072
  180    H    LEU  31           H        LEU  31   0.795   1.690   0.747
  181    HA   LEU  31           HA       LEU  31   2.214   4.279   0.325
  182    HB2  LEU  31           2HB      LEU  31   3.064   1.697   1.662
  183    HB3  LEU  31           1HB      LEU  31   4.150   3.059   1.388
  184    HG   LEU  31           HG       LEU  31   2.183   4.409   2.563
  185   HD11  LEU  31          1HD1      LEU  31   0.911   3.163   4.104
  186   HD12  LEU  31          2HD1      LEU  31   1.983   1.765   3.996
  187   HD13  LEU  31          3HD1      LEU  31   0.898   2.151   2.659
  188   HD21  LEU  31          3HD2      LEU  31   4.660   3.851   3.257
  189   HD22  LEU  31          1HD2      LEU  31   3.892   2.710   4.360
  190   HD23  LEU  31          2HD2      LEU  31   3.528   4.431   4.478
  191    H    CYS  32           H        CYS  32   1.632   1.215  -1.125
  192    HA   CYS  32           HA       CYS  32   3.907   1.717  -2.998
  193    HB2  CYS  32           2HB      CYS  32   2.649  -0.988  -2.617
  194    HB3  CYS  32           1HB      CYS  32   4.251  -0.592  -3.231
  195    H    CYS  33           H        CYS  33   0.861   2.453  -2.979
  196    HA   CYS  33           HA       CYS  33   0.141   1.083  -5.519
  197    HB2  CYS  33           2HB      CYS  33  -1.454   1.409  -3.435
  198    HB3  CYS  33           1HB      CYS  33  -1.727   2.989  -4.162
  199    H    GLU  34           H        GLU  34   1.394   2.192  -7.024
  200    HA   GLU  34           HA       GLU  34   1.063   5.145  -7.184
  201    HB2  GLU  34           2HB      GLU  34   3.021   3.201  -8.431
  202    HB3  GLU  34           1HB      GLU  34   2.876   4.870  -8.987
  203    HG2  GLU  34           2HG      GLU  34   3.496   5.735  -6.842
  204    HG3  GLU  34           1HG      GLU  34   3.342   4.149  -6.086
  205    H    GLN  35           H        GLN  35  -0.456   5.877  -8.594
  206    HA   GLN  35           HA       GLN  35  -1.881   5.947 -10.457
  207    HB2  GLN  35           2HB      GLN  35   0.400   4.302 -11.351
  208    HB3  GLN  35           1HB      GLN  35  -1.106   3.981 -12.212
  209    HG2  GLN  35           2HG      GLN  35  -0.852   6.811 -11.905
  210    HG3  GLN  35           1HG      GLN  35   0.671   6.193 -12.544
  211   HE21  GLN  35          1HE2      GLN  35  -2.878   5.767 -13.090
  212   HE22  GLN  35          2HE2      GLN  35  -2.746   5.623 -14.776
  213    H    CYS  36           H        CYS  36  -2.277   4.203  -8.127
  214    HA   CYS  36           HA       CYS  36  -3.846   2.624  -7.416
  215    HB2  CYS  36           2HB      CYS  36  -4.774   3.151 -10.229
  216    HB3  CYS  36           1HB      CYS  36  -5.507   1.878  -9.266
  217    H    LYS  37           H        LYS  37  -1.223   1.817  -8.541
  218    HA   LYS  37           HA       LYS  37  -1.975  -0.999  -9.176
  219    HB2  LYS  37           2HB      LYS  37  -0.457   0.874 -10.822
  220    HB3  LYS  37           1HB      LYS  37   0.462  -0.590 -10.464
  221    HG2  LYS  37           2HG      LYS  37  -1.027  -1.966 -11.572
  222    HG3  LYS  37           1HG      LYS  37  -2.401  -0.903 -11.263
  223    HD2  LYS  37           2HD      LYS  37  -0.276   0.276 -12.944
  224    HD3  LYS  37           1HD      LYS  37  -1.130  -1.085 -13.674
  225    HE2  LYS  37           2HE      LYS  37  -3.297   0.070 -13.019
  226    HE3  LYS  37           1HE      LYS  37  -2.326   1.483 -12.610
  227    HZ1  LYS  37           3HZ      LYS  37  -2.662   0.197 -15.251
  228    HZ2  LYS  37           1HZ      LYS  37  -1.385   1.265 -14.931
  229    HZ3  LYS  37           2HZ      LYS  37  -2.992   1.804 -14.813
  230    H    PHE  38           H        PHE  38  -0.330  -2.558  -8.508
  231    HA   PHE  38           HA       PHE  38   0.964  -1.763  -6.016
  232    HB2  PHE  38           2HB      PHE  38   0.829  -4.333  -7.594
  233    HB3  PHE  38           1HB      PHE  38   1.848  -4.181  -6.164
  234    HD1  PHE  38           2HD      PHE  38   0.221  -2.427  -4.434
  235    HD2  PHE  38           1HD      PHE  38  -0.951  -5.723  -6.922
  236    HE1  PHE  38           2HE      PHE  38  -1.751  -2.823  -2.982
  237    HE2  PHE  38           1HE      PHE  38  -2.923  -6.119  -5.472
  238    HZ   PHE  38           HZ       PHE  38  -3.322  -4.668  -3.501
  239    H    SER  39           H        SER  39   2.870  -0.643  -6.106
  240    HA   SER  39           HA       SER  39   4.598  -0.564  -8.374
  241    HB2  SER  39           2HB      SER  39   5.385  -0.123  -5.477
  242    HB3  SER  39           1HB      SER  39   6.217   0.497  -6.900
  243    HG   SER  39           HG       SER  39   4.797   2.044  -7.025
  244    H    ARG  40           H        ARG  40   7.147  -1.234  -7.587
  245    HA   ARG  40           HA       ARG  40   6.910  -4.187  -7.444
  246    HB2  ARG  40           2HB      ARG  40   8.490  -2.536  -8.998
  247    HB3  ARG  40           1HB      ARG  40   9.607  -3.048  -7.732
  248    HG2  ARG  40           2HG      ARG  40   9.848  -5.001  -8.823
  249    HG3  ARG  40           1HG      ARG  40   8.164  -5.361  -8.442
  250    HD2  ARG  40           2HD      ARG  40   7.433  -4.821 -10.541
  251    HD3  ARG  40           1HD      ARG  40   8.610  -3.520 -10.727
  252    HE   ARG  40           HE       ARG  40   8.946  -6.180 -11.712
  253   HH11  ARG  40          1HH1      ARG  40  10.496  -3.262 -11.263
  254   HH12  ARG  40          2HH1      ARG  40  12.106  -3.904 -11.254
  255   HH21  ARG  40          1HH2      ARG  40  11.068  -7.212 -11.156
  256   HH22  ARG  40          2HH2      ARG  40  12.428  -6.140 -11.192
  257    H    ALA  41           H        ALA  41   8.669  -5.300  -6.089
  258    HA   ALA  41           HA       ALA  41   8.494  -4.295  -3.365
  259    HB1  ALA  41           1HB      ALA  41  10.450  -6.438  -4.013
  260    HB2  ALA  41           2HB      ALA  41   8.765  -6.781  -4.403
  261    HB3  ALA  41           3HB      ALA  41   9.223  -6.381  -2.748
  262    H    GLY  42           H        GLY  42  10.586  -4.197  -2.019
  263    HA2  GLY  42           2HA      GLY  42  12.698  -3.228  -1.649
  264    HA3  GLY  42           1HA      GLY  42  13.033  -3.450  -3.366
  265    H    LYS  43           H        LYS  43  10.112  -1.777  -2.502
  266    HA   LYS  43           HA       LYS  43  11.304   0.699  -3.646
  267    HB2  LYS  43           2HB      LYS  43   9.297   0.861  -4.655
  268    HB3  LYS  43           1HB      LYS  43   8.707  -0.533  -3.764
  269    HG2  LYS  43           2HG      LYS  43   7.217   1.250  -3.200
  270    HG3  LYS  43           1HG      LYS  43   8.279   1.102  -1.813
  271    HD2  LYS  43           2HD      LYS  43   8.390   3.391  -2.168
  272    HD3  LYS  43           1HD      LYS  43   9.740   2.857  -3.171
  273    HE2  LYS  43           2HE      LYS  43   8.320   2.877  -5.158
  274    HE3  LYS  43           1HE      LYS  43   6.914   3.298  -4.180
  275    HZ1  LYS  43           3HZ      LYS  43   8.113   5.333  -3.506
  276    HZ2  LYS  43           1HZ      LYS  43   7.779   5.274  -5.168
  277    HZ3  LYS  43           2HZ      LYS  43   9.348   4.943  -4.606
  278    H    ILE  44           H        ILE  44  11.773   2.458  -2.386
  279    HA   ILE  44           HA       ILE  44  11.679   2.235   0.465
  280    HB   ILE  44           HB       ILE  44  12.501   4.286  -1.508
  281   HG12  ILE  44          2HG1      ILE  44  14.064   2.775  -0.359
  282   HG13  ILE  44          1HG1      ILE  44  14.382   4.450   0.103
  283   HG21  ILE  44          1HG2      ILE  44  12.663   5.978   0.445
  284   HG22  ILE  44          2HG2      ILE  44  11.403   5.011   1.211
  285   HG23  ILE  44          3HG2      ILE  44  11.094   5.796  -0.338
  286   HD11  ILE  44          3HD1      ILE  44  14.260   3.635   2.229
  287   HD12  ILE  44          1HD1      ILE  44  13.344   2.212   1.734
  288   HD13  ILE  44          2HD1      ILE  44  12.520   3.753   1.970
  289    H    CYS  45           H        CYS  45   9.755   2.082   1.453
  290    HA   CYS  45           HA       CYS  45   7.482   3.747   0.526
  291    HB2  CYS  45           2HB      CYS  45   6.287   2.405   2.424
  292    HB3  CYS  45           1HB      CYS  45   6.689   1.580   0.927
  293    H    ARG  46           H        ARG  46   9.651   3.303   3.208
  294    HA   ARG  46           HA       ARG  46   9.013   5.979   4.216
  295    HB2  ARG  46           2HB      ARG  46   7.756   3.626   5.371
  296    HB3  ARG  46           1HB      ARG  46   8.756   4.462   6.560
  297    HG2  ARG  46           2HG      ARG  46   7.575   6.510   6.263
  298    HG3  ARG  46           1HG      ARG  46   6.788   5.928   4.794
  299    HD2  ARG  46           2HD      ARG  46   5.059   5.283   6.089
  300    HD3  ARG  46           1HD      ARG  46   6.120   4.037   6.749
  301    HE   ARG  46           HE       ARG  46   5.299   6.477   8.111
  302   HH11  ARG  46          1HH2      ARG  46   5.875   3.768   9.365
  303   HH12  ARG  46          2HH2      ARG  46   7.328   4.105  10.247
  304   HH21  ARG  46          1HH1      ARG  46   7.986   7.059   8.555
  305   HH22  ARG  46          2HH1      ARG  46   8.521   5.967   9.788
  306    H    ILE  47           H        ILE  47  10.174   5.894   6.679
  307    HA   ILE  47           HA       ILE  47  12.881   4.726   6.166
  308    HB   ILE  47           HB       ILE  47  12.877   7.195   5.893
  309   HG12  ILE  47          2HG1      ILE  47  14.521   7.589   7.938
  310   HG13  ILE  47          1HG1      ILE  47  14.333   5.848   8.143
  311   HG21  ILE  47          1HG2      ILE  47  12.404   8.616   7.846
  312   HG22  ILE  47          2HG2      ILE  47  11.984   7.189   8.794
  313   HG23  ILE  47          3HG2      ILE  47  10.984   7.661   7.421
  314   HD11  ILE  47          3HD1      ILE  47  15.746   7.348   6.036
  315   HD12  ILE  47          1HD1      ILE  47  14.725   6.041   5.436
  316   HD13  ILE  47          2HD1      ILE  47  15.999   5.698   6.605
  317    H    ALA  48           H        ALA  48  13.817   3.674   7.926
  318    HA   ALA  48           HA       ALA  48  12.031   2.976  10.123
  319    HB1  ALA  48           1HB      ALA  48  14.981   2.338   9.906
  320    HB2  ALA  48           2HB      ALA  48  13.743   1.427   9.042
  321    HB3  ALA  48           3HB      ALA  48  13.748   1.455  10.805
  322    H    ARG  49           H        ARG  49  12.087   3.763  12.205
  323    HA   ARG  49           HA       ARG  49  13.756   6.154  12.672
  324    HB2  ARG  49           2HB      ARG  49  11.292   4.991  13.839
  325    HB3  ARG  49           1HB      ARG  49  12.353   5.810  14.985
  326    HG2  ARG  49           2HG      ARG  49  11.633   7.105  12.360
  327    HG3  ARG  49           1HG      ARG  49  10.559   7.232  13.754
  328    HD2  ARG  49           2HD      ARG  49  13.474   8.066  13.679
  329    HD3  ARG  49           1HD      ARG  49  12.087   9.154  13.683
  330    HE   ARG  49           HE       ARG  49  13.143   7.703  15.998
  331   HH11  ARG  49          1HH1      ARG  49  11.558  10.442  15.230
  332   HH12  ARG  49          2HH1      ARG  49  10.293  10.307  16.406
  333   HH21  ARG  49          1HH2      ARG  49  11.037   7.022  17.223
  334   HH22  ARG  49          2HH2      ARG  49   9.999   8.372  17.533
  335    H    GLY  50           H        GLY  50  15.776   5.789  13.452
  336    HA2  GLY  50           2HA      GLY  50  16.660   4.955  15.815
  337    HA3  GLY  50           1HA      GLY  50  16.269   3.385  15.120
  338    H    ASP  51           H        ASP  51  17.600   2.559  13.482
  339    HA   ASP  51           HA       ASP  51  19.486   3.957  11.936
  340    HB2  ASP  51           2HB      ASP  51  20.273   3.697  14.713
  341    HB3  ASP  51           1HB      ASP  51  21.410   2.849  13.665
  342    H    TRP  52           H        TRP  52  18.007   1.870  11.210
  343    HA   TRP  52           HA       TRP  52  19.949  -0.398  11.109
  344    HB2  TRP  52           2HB      TRP  52  17.420  -1.505  10.621
  345    HB3  TRP  52           1HB      TRP  52  18.397  -1.716  12.069
  346    HD1  TRP  52           HD       TRP  52  15.620   0.546  10.661
  347    HE1  TRP  52           1HE      TRP  52  14.320   1.559  12.644
  348    HE3  TRP  52           3HE      TRP  52  18.444  -1.187  14.544
  349    HZ2  TRP  52           2HZ      TRP  52  14.458   1.622  15.501
  350    HZ3  TRP  52           3HZ      TRP  52  17.840  -0.639  16.885
  351    HH2  TRP  52           HH       TRP  52  15.851   0.763  17.368
  352    H    ASN  53           H        ASN  53  16.870  -0.187   9.443
  353    HA   ASN  53           HA       ASN  53  18.225   0.541   6.913
  354    HB2  ASN  53           2HB      ASN  53  18.131  -2.058   7.371
  355    HB3  ASN  53           1HB      ASN  53  16.444  -1.874   6.889
  356   HD21  ASN  53          1HD2      ASN  53  19.400  -0.214   5.651
  357   HD22  ASN  53          2HD2      ASN  53  19.170  -0.694   4.040
  358    H    ASP  54           H        ASP  54  16.793   1.488   5.416
  359    HA   ASP  54           HA       ASP  54  14.403   2.659   6.465
  360    HB2  ASP  54           2HB      ASP  54  15.304   2.319   3.587
  361    HB3  ASP  54           1HB      ASP  54  13.996   3.378   4.119
  362    H    ASP  55           H        ASP  55  12.325   2.370   4.826
  363    HA   ASP  55           HA       ASP  55  11.593  -0.488   5.168
  364    HB2  ASP  55           2HB      ASP  55   9.763   1.782   4.363
  365    HB3  ASP  55           1HB      ASP  55   9.317   0.229   5.072
  366    H    ARG  56           H        ARG  56  10.645  -1.677   3.406
  367    HA   ARG  56           HA       ARG  56  11.057  -0.468   0.701
  368    HB2  ARG  56           2HB      ARG  56  11.763  -3.319   1.444
  369    HB3  ARG  56           1HB      ARG  56  12.057  -2.514  -0.095
  370    HG2  ARG  56           2HG      ARG  56  13.183  -0.976   2.087
  371    HG3  ARG  56           1HG      ARG  56  13.808  -2.625   2.099
  372    HD2  ARG  56           2HD      ARG  56  14.152  -2.296  -0.447
  373    HD3  ARG  56           1HD      ARG  56  13.966  -0.576  -0.106
  374    HE   ARG  56           HE       ARG  56  15.907  -1.807   1.658
  375   HH11  ARG  56          1HH2      ARG  56  16.304  -2.319  -1.463
  376   HH12  ARG  56          2HH2      ARG  56  17.529  -1.133  -1.768
  377   HH21  ARG  56          1HH1      ARG  56  17.079   0.497   1.259
  378   HH22  ARG  56          2HH1      ARG  56  17.967   0.461  -0.226
  379    H    CYS  57           H        CYS  57   9.246  -0.636  -0.503
  380    HA   CYS  57           HA       CYS  57   6.858  -1.880   0.404
  381    HB2  CYS  57           2HB      CYS  57   7.827  -0.816  -2.213
  382    HB3  CYS  57           1HB      CYS  57   6.373  -1.808  -2.213
  383    H    THR  58           H        THR  58   5.906  -3.868  -0.157
  384    HA   THR  58           HA       THR  58   7.753  -6.048  -0.667
  385    HB   THR  58           HB       THR  58   5.028  -6.864  -1.009
  386    HG1  THR  58           1HG      THR  58   4.038  -5.890   0.636
  387   HG21  THR  58          3HG2      THR  58   6.590  -8.349  -0.031
  388   HG22  THR  58          1HG2      THR  58   5.537  -7.875   1.303
  389   HG23  THR  58          2HG2      THR  58   7.132  -7.141   1.135
  390    H    GLY  59           H        GLY  59   5.785  -3.995  -2.625
  391    HA2  GLY  59           2HA      GLY  59   5.945  -3.853  -5.011
  392    HA3  GLY  59           1HA      GLY  59   6.693  -5.451  -5.030
  393    H    GLN  60           H        GLN  60   4.335  -6.149  -3.068
  394    HA   GLN  60           HA       GLN  60   2.286  -6.495  -5.220
  395    HB2  GLN  60           2HB      GLN  60   3.098  -8.496  -3.091
  396    HB3  GLN  60           1HB      GLN  60   1.785  -8.719  -4.247
  397    HG2  GLN  60           2HG      GLN  60   3.388  -8.538  -6.113
  398    HG3  GLN  60           1HG      GLN  60   4.705  -8.310  -4.960
  399   HE21  GLN  60          1HE2      GLN  60   5.677 -10.348  -5.829
  400   HE22  GLN  60          2HE2      GLN  60   5.062 -11.850  -5.328
  401    H    SER  61           H        SER  61   2.969  -5.370  -2.077
  402    HA   SER  61           HA       SER  61   0.076  -5.497  -1.341
  403    HB2  SER  61           2HB      SER  61   2.169  -6.246   0.187
  404    HB3  SER  61           1HB      SER  61   2.091  -4.543   0.629
  405    HG   SER  61           HG       SER  61   0.242  -6.603   1.019
  406    H    ALA  62           H        ALA  62  -1.069  -3.602  -1.066
  407    HA   ALA  62           HA       ALA  62  -0.088  -1.192  -2.272
  408    HB1  ALA  62           1HB      ALA  62  -2.362  -1.057  -2.305
  409    HB2  ALA  62           2HB      ALA  62  -2.173  -0.343  -0.704
  410    HB3  ALA  62           3HB      ALA  62  -2.535  -2.062  -0.866
  411    H    ASP  63           H        ASP  63  -0.494  -2.162   1.138
  412    HA   ASP  63           HA       ASP  63   0.621   0.364   2.104
  413    HB2  ASP  63           2HB      ASP  63   0.317  -2.179   3.708
  414    HB3  ASP  63           1HB      ASP  63   0.285  -0.513   4.286
  415    H    CYS  64           H        CYS  64   2.500  -0.053   3.873
  416    HA   CYS  64           HA       CYS  64   4.610  -1.625   2.452
  417    HB2  CYS  64           2HB      CYS  64   5.325   0.588   2.214
  418    HB3  CYS  64           1HB      CYS  64   4.666   1.078   3.769
  419    HA   PRO  65           HA       PRO  65   4.917  -3.874   6.198
  420    HB2  PRO  65           2HB      PRO  65   7.121  -5.303   5.430
  421    HB3  PRO  65           1HB      PRO  65   5.490  -5.676   4.873
  422    HG2  PRO  65           2HG      PRO  65   7.754  -4.429   3.407
  423    HG3  PRO  65           1HG      PRO  65   6.356  -5.312   2.771
  424    HD2  PRO  65           2HD      PRO  65   6.690  -2.498   2.795
  425    HD3  PRO  65           1HD      PRO  65   5.194  -3.383   2.424
  426    H    ARG  66           H        ARG  66   6.279  -3.826   8.083
  427    HA   ARG  66           HA       ARG  66   8.717  -2.109   7.852
  428    HB2  ARG  66           2HB      ARG  66   8.023  -1.450  10.310
  429    HB3  ARG  66           1HB      ARG  66   7.278  -0.631   8.936
  430    HG2  ARG  66           2HG      ARG  66   5.258  -1.734   9.193
  431    HG3  ARG  66           1HG      ARG  66   6.005  -3.143   9.946
  432    HD2  ARG  66           2HD      ARG  66   6.389  -1.898  12.004
  433    HD3  ARG  66           1HD      ARG  66   5.783  -0.419  11.258
  434    HE   ARG  66           HE       ARG  66   3.590  -1.870  10.999
  435   HH11  ARG  66          1HH2      ARG  66   4.856  -0.532  13.676
  436   HH12  ARG  66          2HH2      ARG  66   4.182  -1.636  14.828
  437   HH21  ARG  66          1HH1      ARG  66   3.151  -3.920  12.432
  438   HH22  ARG  66          2HH1      ARG  66   3.217  -3.554  14.123
  439    H    ASN  67           H        ASN  67  10.253  -2.459   9.677
  440    HA   ASN  67           HA       ASN  67  10.632  -5.302  10.155
  441    HB2  ASN  67           2HB      ASN  67  12.112  -2.784  10.689
  442    HB3  ASN  67           1HB      ASN  67  12.429  -4.111  11.807
  443   HD21  ASN  67          1HD2      ASN  67  14.534  -4.657  10.987
  444   HD22  ASN  67          2HD2      ASN  67  14.774  -5.275   9.424
  445    HA   PRO  68           HA       PRO  68   8.780  -5.598  14.132
  446    HB2  PRO  68           2HB      PRO  68  10.531  -7.263  15.438
  447    HB3  PRO  68           1HB      PRO  68   9.435  -7.811  14.158
  448    HG2  PRO  68           2HG      PRO  68  12.379  -7.375  14.040
  449    HG3  PRO  68           1HG      PRO  68  11.363  -8.443  13.058
  450    HD2  PRO  68           2HD      PRO  68  12.392  -5.914  12.271
  451    HD3  PRO  68           1HD      PRO  68  11.160  -6.863  11.413
  452    H    TRP  69           H        TRP  69  11.345  -3.662  13.704
  453    HA   TRP  69           HA       TRP  69  11.531  -2.997  16.613
  454    HB2  TRP  69           2HB      TRP  69  13.804  -2.602  14.663
  455    HB3  TRP  69           1HB      TRP  69  13.861  -2.564  16.425
  456    HD1  TRP  69           HD       TRP  69  14.864  -4.719  13.774
  457    HE1  TRP  69           1HE      TRP  69  14.940  -7.197  14.483
  458    HE3  TRP  69           3HE      TRP  69  12.155  -4.484  18.097
  459    HZ2  TRP  69           2HZ      TRP  69  13.980  -8.858  16.604
  460    HZ3  TRP  69           3HZ      TRP  69  11.753  -6.527  19.441
  461    HH2  TRP  69           HH       TRP  69  12.662  -8.712  18.701
  462    H    ASN  70           H        ASN  70   9.750  -1.904  14.580
  463    HA   ASN  70           HA       ASN  70  10.891   0.826  14.199
  464    HB2  ASN  70           2HB      ASN  70   9.510  -0.826  12.441
  465    HB3  ASN  70           1HB      ASN  70   8.279   0.316  12.984
  466   HD21  ASN  70          1HD2      ASN  70   9.584   2.697  13.262
  467   HD22  ASN  70          2HD2      ASN  70  10.335   3.165  11.814
  468    H    GLY  71           H        GLY  71  10.502   1.276  16.521
  469    HA2  GLY  71           2HA      GLY  71   7.769   2.324  16.915
  470    HA3  GLY  71           1HA      GLY  71   8.319   1.131  18.090
  Start of MODEL   19
    1    H    GLY   1           1HT      GLY   1 -11.388 -11.672   3.674
    2    HA2  GLY   1           1HA      GLY   1 -10.919  -9.820   5.832
    3    HA3  GLY   1           2HA      GLY   1  -9.772 -10.806   4.925
    4    H    LYS   2           H        LYS   2 -10.473  -9.876   2.308
    5    HA   LYS   2           HA       LYS   2  -9.367  -7.108   2.476
    6    HB2  LYS   2           2HB      LYS   2  -8.810  -7.586   0.002
    7    HB3  LYS   2           1HB      LYS   2  -7.877  -8.457   1.219
    8    HG2  LYS   2           2HG      LYS   2  -8.792 -10.471   0.670
    9    HG3  LYS   2           1HG      LYS   2 -10.390  -9.778   0.385
   10    HD2  LYS   2           2HD      LYS   2  -9.289 -10.664  -1.697
   11    HD3  LYS   2           1HD      LYS   2  -9.710  -8.954  -1.790
   12    HE2  LYS   2           2HE      LYS   2  -7.055  -9.348  -0.653
   13    HE3  LYS   2           1HE      LYS   2  -7.188 -10.056  -2.264
   14    HZ1  LYS   2           3HZ      LYS   2  -6.791  -7.420  -1.695
   15    HZ2  LYS   2           1HZ      LYS   2  -8.441  -7.491  -2.084
   16    HZ3  LYS   2           2HZ      LYS   2  -7.283  -8.055  -3.193
   17    H    GLU   3           H        GLU   3 -11.848  -6.739   2.957
   18    HA   GLU   3           HA       GLU   3 -13.393  -6.587   0.420
   19    HB2  GLU   3           2HB      GLU   3 -14.062  -6.875   3.257
   20    HB3  GLU   3           1HB      GLU   3 -15.023  -5.633   2.453
   21    HG2  GLU   3           2HG      GLU   3 -15.991  -7.137   0.977
   22    HG3  GLU   3           1HG      GLU   3 -14.633  -8.258   1.066
   23    H    CYS   4           H        CYS   4 -11.258  -4.691   2.079
   24    HA   CYS   4           HA       CYS   4 -12.533  -2.228   0.991
   25    HB2  CYS   4           2HB      CYS   4 -11.677  -2.790   3.780
   26    HB3  CYS   4           1HB      CYS   4 -11.231  -1.211   3.135
   27    H    ASP   5           H        ASP   5 -11.094  -2.126  -0.760
   28    HA   ASP   5           HA       ASP   5  -8.206  -2.383  -0.320
   29    HB2  ASP   5           2HB      ASP   5 -10.001  -2.380  -2.583
   30    HB3  ASP   5           1HB      ASP   5  -8.699  -1.220  -2.851
   31    H    CYS   6           H        CYS   6 -10.455   0.049   0.183
   32    HA   CYS   6           HA       CYS   6  -8.290   2.065   0.309
   33    HB2  CYS   6           2HB      CYS   6 -10.877   2.464  -1.225
   34    HB3  CYS   6           1HB      CYS   6  -9.741   3.753  -0.830
   35    H    SER   7           H        SER   7  -8.660   3.610   1.934
   36    HA   SER   7           HA       SER   7 -11.009   3.031   3.676
   37    HB2  SER   7           2HB      SER   7  -9.715   3.646   5.496
   38    HB3  SER   7           1HB      SER   7  -8.457   3.038   4.422
   39    HG   SER   7           HG       SER   7  -8.777   5.495   5.410
   40    H    SER   8           H        SER   8 -10.493   4.989   1.212
   41    HA   SER   8           HA       SER   8 -11.656   7.388   2.562
   42    HB2  SER   8           2HB      SER   8 -10.264   7.278  -0.126
   43    HB3  SER   8           1HB      SER   8 -10.768   8.724   0.744
   44    HG   SER   8           HG       SER   8  -8.901   8.621   1.685
   45    HA   PRO   9           HA       PRO   9 -15.279   6.220   0.238
   46    HB2  PRO   9           2HB      PRO   9 -16.860   8.263   1.179
   47    HB3  PRO   9           1HB      PRO   9 -16.511   6.791   2.103
   48    HG2  PRO   9           2HG      PRO   9 -15.421   9.543   2.472
   49    HG3  PRO   9           1HG      PRO   9 -15.622   8.246   3.663
   50    HD2  PRO   9           2HD      PRO   9 -13.192   8.980   2.406
   51    HD3  PRO   9           1HD      PRO   9 -13.482   7.492   3.333
   52    H    GLU  10           H        GLU  10 -13.275   8.867  -0.211
   53    HA   GLU  10           HA       GLU  10 -14.960   9.915  -2.449
   54    HB2  GLU  10           2HB      GLU  10 -13.680  11.287  -0.351
   55    HB3  GLU  10           1HB      GLU  10 -12.692  11.591  -1.779
   56    HG2  GLU  10           2HG      GLU  10 -14.394  12.685  -2.900
   57    HG3  GLU  10           1HG      GLU  10 -15.663  11.796  -2.055
   58    H    ASN  11           H        ASN  11 -13.256   7.540  -2.589
   59    HA   ASN  11           HA       ASN  11 -11.012   8.508  -4.286
   60    HB2  ASN  11           2HB      ASN  11 -10.792   6.739  -2.360
   61    HB3  ASN  11           1HB      ASN  11 -11.448   5.626  -3.560
   62   HD21  ASN  11          1HD2      ASN  11  -8.545   6.686  -2.367
   63   HD22  ASN  11          2HD2      ASN  11  -7.573   6.471  -3.742
   64    HA   PRO  12           HA       PRO  12 -13.523   7.296  -7.755
   65    HB2  PRO  12           2HB      PRO  12 -11.667   7.956  -9.672
   66    HB3  PRO  12           1HB      PRO  12 -12.683   9.148  -8.844
   67    HG2  PRO  12           2HG      PRO  12  -9.784   8.572  -8.469
   68    HG3  PRO  12           1HG      PRO  12 -10.681  10.066  -8.151
   69    HD2  PRO  12           2HD      PRO  12  -9.852   8.167  -6.211
   70    HD3  PRO  12           1HD      PRO  12 -10.987   9.509  -5.951
   71    H    CYS  13           H        CYS  13 -10.285   6.124  -7.075
   72    HA   CYS  13           HA       CYS  13 -10.464   3.986  -9.088
   73    HB2  CYS  13           2HB      CYS  13  -8.369   5.273  -7.670
   74    HB3  CYS  13           1HB      CYS  13  -8.346   3.578  -7.181
   75    H    CYS  14           H        CYS  14 -11.853   4.445  -6.130
   76    HA   CYS  14           HA       CYS  14 -11.974   1.499  -5.668
   77    HB2  CYS  14           2HB      CYS  14 -11.084   3.623  -3.809
   78    HB3  CYS  14           1HB      CYS  14 -12.231   2.464  -3.135
   79    H    ASP  15           H        ASP  15 -14.034   0.836  -5.713
   80    HA   ASP  15           HA       ASP  15 -16.255   2.654  -5.873
   81    HB2  ASP  15           2HB      ASP  15 -15.918   0.083  -6.584
   82    HB3  ASP  15           1HB      ASP  15 -16.697  -0.168  -5.025
   83    H    ALA  16           H        ALA  16 -17.080   3.768  -4.166
   84    HA   ALA  16           HA       ALA  16 -16.380   3.269  -1.445
   85    HB1  ALA  16           1HB      ALA  16 -18.239   4.839  -0.908
   86    HB2  ALA  16           2HB      ALA  16 -18.759   4.763  -2.592
   87    HB3  ALA  16           3HB      ALA  16 -17.191   5.460  -2.184
   88    H    ALA  17           H        ALA  17 -19.256   2.360  -3.337
   89    HA   ALA  17           HA       ALA  17 -20.816   1.237  -1.282
   90    HB1  ALA  17           1HB      ALA  17 -21.599   1.464  -3.614
   91    HB2  ALA  17           2HB      ALA  17 -21.811  -0.189  -3.036
   92    HB3  ALA  17           3HB      ALA  17 -20.472   0.204  -4.115
   93    H    THR  18           H        THR  18 -18.510  -0.528  -3.386
   94    HA   THR  18           HA       THR  18 -18.543  -2.813  -1.544
   95    HB   THR  18           HB       THR  18 -17.340  -3.961  -3.191
   96    HG1  THR  18           1HG      THR  18 -16.400  -2.218  -4.867
   97   HG21  THR  18          3HG2      THR  18 -19.476  -2.328  -4.005
   98   HG22  THR  18          1HG2      THR  18 -18.875  -3.767  -4.827
   99   HG23  THR  18          2HG2      THR  18 -18.266  -2.175  -5.278
  100    H    CYS  19           H        CYS  19 -16.860   0.119  -1.776
  101    HA   CYS  19           HA       CYS  19 -15.043   0.964  -0.558
  102    HB2  CYS  19           2HB      CYS  19 -16.175  -0.153   1.344
  103    HB3  CYS  19           1HB      CYS  19 -15.326  -1.649   0.959
  104    H    LYS  20           H        LYS  20 -14.759  -1.085  -2.876
  105    HA   LYS  20           HA       LYS  20 -11.854  -1.585  -2.372
  106    HB2  LYS  20           2HB      LYS  20 -13.789  -3.476  -3.739
  107    HB3  LYS  20           1HB      LYS  20 -12.047  -3.719  -3.609
  108    HG2  LYS  20           2HG      LYS  20 -12.371  -3.505  -1.072
  109    HG3  LYS  20           1HG      LYS  20 -14.096  -3.685  -1.389
  110    HD2  LYS  20           2HD      LYS  20 -12.465  -5.678  -2.790
  111    HD3  LYS  20           1HD      LYS  20 -12.309  -5.771  -1.036
  112    HE2  LYS  20           2HE      LYS  20 -14.732  -5.922  -0.788
  113    HE3  LYS  20           1HE      LYS  20 -14.949  -5.710  -2.526
  114    HZ1  LYS  20           3HZ      LYS  20 -13.994  -7.776  -2.970
  115    HZ2  LYS  20           1HZ      LYS  20 -14.992  -8.068  -1.630
  116    HZ3  LYS  20           2HZ      LYS  20 -13.314  -7.910  -1.419
  117    H    LEU  21           H        LEU  21 -10.818  -2.227  -4.637
  118    HA   LEU  21           HA       LEU  21 -10.995   0.064  -6.316
  119    HB2  LEU  21           2HB      LEU  21  -9.777  -2.667  -6.625
  120    HB3  LEU  21           1HB      LEU  21  -9.791  -1.547  -7.988
  121    HG   LEU  21           HG       LEU  21  -8.915  -0.433  -5.376
  122   HD11  LEU  21          1HD1      LEU  21  -7.878  -2.859  -5.942
  123   HD12  LEU  21          2HD1      LEU  21  -6.933  -1.573  -5.190
  124   HD13  LEU  21          3HD1      LEU  21  -6.813  -1.857  -6.927
  125   HD21  LEU  21          3HD2      LEU  21  -8.611   0.034  -8.257
  126   HD22  LEU  21          1HD2      LEU  21  -7.092   0.186  -7.373
  127   HD23  LEU  21          2HD2      LEU  21  -8.481   1.173  -6.916
  128    H    ARG  22           H        ARG  22 -12.399   0.569  -7.927
  129    HA   ARG  22           HA       ARG  22 -14.546  -1.323  -8.552
  130    HB2  ARG  22           2HB      ARG  22 -15.485   0.763  -8.434
  131    HB3  ARG  22           1HB      ARG  22 -14.028   1.576  -8.990
  132    HG2  ARG  22           2HG      ARG  22 -14.499   0.697 -11.301
  133    HG3  ARG  22           1HG      ARG  22 -16.029   0.062 -10.695
  134    HD2  ARG  22           2HD      ARG  22 -16.798   2.108 -11.389
  135    HD3  ARG  22           1HD      ARG  22 -16.223   2.597  -9.795
  136    HE   ARG  22           HE       ARG  22 -14.301   2.785 -12.042
  137   HH11  ARG  22          1HH2      ARG  22 -16.845   4.382 -10.428
  138   HH12  ARG  22          2HH2      ARG  22 -16.036   5.911 -10.347
  139   HH21  ARG  22          1HH1      ARG  22 -13.068   4.708 -11.676
  140   HH22  ARG  22          2HH1      ARG  22 -13.897   6.096 -11.054
  141    HA   PRO  23           HA       PRO  23 -12.620  -1.032 -12.909
  142    HB2  PRO  23           2HB      PRO  23 -10.224   0.290 -13.171
  143    HB3  PRO  23           1HB      PRO  23 -11.803   1.078 -13.344
  144    HG2  PRO  23           2HG      PRO  23  -9.869   1.228 -11.077
  145    HG3  PRO  23           1HG      PRO  23 -11.078   2.411 -11.601
  146    HD2  PRO  23           2HD      PRO  23 -11.337   0.640  -9.413
  147    HD3  PRO  23           1HD      PRO  23 -12.648   1.578 -10.158
  148    H    GLY  24           H        GLY  24 -10.052  -1.545 -13.835
  149    HA2  GLY  24           2HA      GLY  24  -9.364  -3.974 -12.296
  150    HA3  GLY  24           1HA      GLY  24  -8.780  -3.576 -13.913
  151    H    ALA  25           H        ALA  25  -8.732  -1.327 -11.211
  152    HA   ALA  25           HA       ALA  25  -5.854  -0.936 -11.558
  153    HB1  ALA  25           1HB      ALA  25  -8.065   0.378 -10.066
  154    HB2  ALA  25           2HB      ALA  25  -6.760   1.097 -11.010
  155    HB3  ALA  25           3HB      ALA  25  -6.453   0.532  -9.367
  156    H    GLN  26           H        GLN  26  -4.242  -1.542 -10.084
  157    HA   GLN  26           HA       GLN  26  -4.908  -3.780  -8.314
  158    HB2  GLN  26           2HB      GLN  26  -2.345  -2.345  -9.030
  159    HB3  GLN  26           1HB      GLN  26  -2.403  -3.646  -7.845
  160    HG2  GLN  26           2HG      GLN  26  -3.843  -4.531 -10.126
  161    HG3  GLN  26           1HG      GLN  26  -2.332  -3.827 -10.695
  162   HE21  GLN  26          1HE2      GLN  26  -0.463  -5.101 -10.467
  163   HE22  GLN  26          2HE2      GLN  26  -0.382  -6.525  -9.545
  164    H    CYS  27           H        CYS  27  -4.896  -0.428  -7.991
  165    HA   CYS  27           HA       CYS  27  -5.191  -0.583  -5.105
  166    HB2  CYS  27           2HB      CYS  27  -3.179   0.640  -4.506
  167    HB3  CYS  27           1HB      CYS  27  -2.735  -0.824  -5.388
  168    H    GLY  28           H        GLY  28  -5.947   1.362  -4.231
  169    HA2  GLY  28           2HA      GLY  28  -6.447   3.547  -6.210
  170    HA3  GLY  28           1HA      GLY  28  -7.615   3.099  -4.967
  171    H    GLU  29           H        GLU  29  -5.548   2.643  -2.958
  172    HA   GLU  29           HA       GLU  29  -4.248   5.270  -2.636
  173    HB2  GLU  29           2HB      GLU  29  -5.349   5.826  -0.606
  174    HB3  GLU  29           1HB      GLU  29  -6.633   5.383  -1.721
  175    HG2  GLU  29           2HG      GLU  29  -7.327   3.896  -0.179
  176    HG3  GLU  29           1HG      GLU  29  -5.876   2.964  -0.549
  177    H    GLY  30           H        GLY  30  -2.441   5.136  -1.228
  178    HA2  GLY  30           2HA      GLY  30  -1.837   3.347   0.763
  179    HA3  GLY  30           1HA      GLY  30  -1.506   2.413  -0.694
  180    H    LEU  31           H        LEU  31   0.747   2.503   0.310
  181    HA   LEU  31           HA       LEU  31   2.134   5.089  -0.038
  182    HB2  LEU  31           2HB      LEU  31   2.581   2.669   1.497
  183    HB3  LEU  31           1HB      LEU  31   4.011   3.075   0.555
  184    HG   LEU  31           HG       LEU  31   3.870   4.144   2.863
  185   HD11  LEU  31          1HD1      LEU  31   4.065   5.870   0.379
  186   HD12  LEU  31          2HD1      LEU  31   5.386   5.030   1.193
  187   HD13  LEU  31          3HD1      LEU  31   4.586   6.390   1.982
  188   HD21  LEU  31          3HD2      LEU  31   2.085   5.413   3.413
  189   HD22  LEU  31          1HD2      LEU  31   1.304   4.813   1.950
  190   HD23  LEU  31          2HD2      LEU  31   2.202   6.330   1.912
  191    H    CYS  32           H        CYS  32   1.746   1.999  -1.627
  192    HA   CYS  32           HA       CYS  32   3.715   2.900  -3.686
  193    HB2  CYS  32           2HB      CYS  32   3.157   0.198  -2.516
  194    HB3  CYS  32           1HB      CYS  32   3.742   0.315  -4.177
  195    H    CYS  33           H        CYS  33   1.129   3.812  -3.922
  196    HA   CYS  33           HA       CYS  33  -0.059   1.994  -5.972
  197    HB2  CYS  33           2HB      CYS  33  -1.537   2.592  -4.041
  198    HB3  CYS  33           1HB      CYS  33  -1.416   4.281  -4.513
  199    H    GLU  34           H        GLU  34   1.137   2.655  -7.765
  200    HA   GLU  34           HA       GLU  34   1.130   5.557  -8.439
  201    HB2  GLU  34           2HB      GLU  34   3.103   3.570  -8.629
  202    HB3  GLU  34           1HB      GLU  34   2.575   3.848 -10.289
  203    HG2  GLU  34           2HG      GLU  34   2.713   6.406  -9.340
  204    HG3  GLU  34           1HG      GLU  34   4.033   5.636  -8.459
  205    H    GLN  35           H        GLN  35  -0.465   6.199  -9.811
  206    HA   GLN  35           HA       GLN  35  -2.056   6.117 -11.536
  207    HB2  GLN  35           2HB      GLN  35   0.277   5.025 -12.567
  208    HB3  GLN  35           1HB      GLN  35  -0.928   3.781 -12.907
  209    HG2  GLN  35           2HG      GLN  35  -1.139   5.161 -14.780
  210    HG3  GLN  35           1HG      GLN  35  -2.388   5.811 -13.716
  211   HE21  GLN  35          1HE2      GLN  35  -1.498   7.620 -15.543
  212   HE22  GLN  35          2HE2      GLN  35  -0.435   8.744 -14.843
  213    H    CYS  36           H        CYS  36  -2.411   4.575  -9.114
  214    HA   CYS  36           HA       CYS  36  -3.895   2.988  -8.266
  215    HB2  CYS  36           2HB      CYS  36  -4.896   3.186 -11.109
  216    HB3  CYS  36           1HB      CYS  36  -5.633   2.119  -9.919
  217    H    LYS  37           H        LYS  37  -1.290   2.167  -9.167
  218    HA   LYS  37           HA       LYS  37  -1.910  -0.675  -9.822
  219    HB2  LYS  37           2HB      LYS  37   0.435   0.899 -10.934
  220    HB3  LYS  37           1HB      LYS  37   0.034  -0.782 -11.291
  221    HG2  LYS  37           2HG      LYS  37  -2.329   0.484 -11.878
  222    HG3  LYS  37           1HG      LYS  37  -1.145   1.696 -12.365
  223    HD2  LYS  37           2HD      LYS  37  -0.305   0.397 -14.057
  224    HD3  LYS  37           1HD      LYS  37  -0.573  -1.107 -13.175
  225    HE2  LYS  37           2HE      LYS  37  -2.280  -1.357 -14.678
  226    HE3  LYS  37           1HE      LYS  37  -3.141  -0.318 -13.542
  227    HZ1  LYS  37           3HZ      LYS  37  -2.564   1.594 -14.829
  228    HZ2  LYS  37           1HZ      LYS  37  -3.263   0.451 -15.868
  229    HZ3  LYS  37           2HZ      LYS  37  -1.579   0.675 -15.863
  230    H    PHE  38           H        PHE  38  -0.135  -2.150  -9.095
  231    HA   PHE  38           HA       PHE  38   0.819  -1.336  -6.455
  232    HB2  PHE  38           2HB      PHE  38   1.020  -3.865  -8.086
  233    HB3  PHE  38           1HB      PHE  38   1.899  -3.685  -6.569
  234    HD1  PHE  38           1HD      PHE  38  -0.218  -1.960  -5.135
  235    HD2  PHE  38           2HD      PHE  38  -0.496  -5.585  -7.428
  236    HE1  PHE  38           1HE      PHE  38  -2.272  -2.585  -3.901
  237    HE2  PHE  38           2HE      PHE  38  -2.549  -6.208  -6.188
  238    HZ   PHE  38           HZ       PHE  38  -3.437  -4.709  -4.425
  239    H    SER  39           H        SER  39   2.769  -0.407  -6.066
  240    HA   SER  39           HA       SER  39   4.635   0.184  -8.158
  241    HB2  SER  39           2HB      SER  39   5.341   0.080  -5.220
  242    HB3  SER  39           1HB      SER  39   5.999   1.140  -6.461
  243    HG   SER  39           HG       SER  39   4.526   2.398  -5.521
  244    H    ARG  40           H        ARG  40   6.975  -0.704  -6.266
  245    HA   ARG  40           HA       ARG  40   6.958  -3.578  -7.084
  246    HB2  ARG  40           2HB      ARG  40   9.206  -3.430  -7.872
  247    HB3  ARG  40           1HB      ARG  40   8.370  -2.044  -8.572
  248    HG2  ARG  40           2HG      ARG  40   9.206  -0.641  -6.676
  249    HG3  ARG  40           1HG      ARG  40  10.140  -2.026  -6.112
  250    HD2  ARG  40           2HD      ARG  40  11.134  -2.081  -8.499
  251    HD3  ARG  40           1HD      ARG  40  10.480  -0.450  -8.661
  252    HE   ARG  40           HE       ARG  40  11.894   0.149  -6.653
  253   HH11  ARG  40          1HH2      ARG  40  13.357  -0.917  -9.257
  254   HH12  ARG  40          2HH2      ARG  40  14.667  -1.762  -8.501
  255   HH21  ARG  40          1HH1      ARG  40  13.240  -1.696  -5.344
  256   HH22  ARG  40          2HH1      ARG  40  14.600  -2.202  -6.288
  257    H    ALA  41           H        ALA  41   8.274  -4.961  -5.734
  258    HA   ALA  41           HA       ALA  41   8.210  -4.244  -2.940
  259    HB1  ALA  41           1HB      ALA  41   9.899  -6.527  -3.835
  260    HB2  ALA  41           2HB      ALA  41   8.181  -6.614  -4.220
  261    HB3  ALA  41           3HB      ALA  41   8.701  -6.456  -2.543
  262    H    GLY  42           H        GLY  42  10.209  -4.379  -1.534
  263    HA2  GLY  42           2HA      GLY  42  12.407  -3.680  -1.032
  264    HA3  GLY  42           1HA      GLY  42  12.805  -3.938  -2.732
  265    H    LYS  43           H        LYS  43  10.082  -1.942  -1.888
  266    HA   LYS  43           HA       LYS  43  11.616   0.406  -2.933
  267    HB2  LYS  43           2HB      LYS  43   9.789   0.431  -4.287
  268    HB3  LYS  43           1HB      LYS  43   8.827  -0.532  -3.176
  269    HG2  LYS  43           2HG      LYS  43   7.779   1.623  -3.287
  270    HG3  LYS  43           1HG      LYS  43   8.613   1.574  -1.739
  271    HD2  LYS  43           2HD      LYS  43   9.732   3.433  -2.336
  272    HD3  LYS  43           1HD      LYS  43  10.505   2.507  -3.622
  273    HE2  LYS  43           2HE      LYS  43   7.749   3.691  -3.963
  274    HE3  LYS  43           1HE      LYS  43   9.205   4.616  -4.327
  275    HZ1  LYS  43           3HZ      LYS  43   9.820   3.133  -5.995
  276    HZ2  LYS  43           1HZ      LYS  43   8.147   3.308  -6.212
  277    HZ3  LYS  43           2HZ      LYS  43   8.764   1.918  -5.451
  278    H    ILE  44           H        ILE  44  12.178   2.001  -1.537
  279    HA   ILE  44           HA       ILE  44  11.702   1.867   1.248
  280    HB   ILE  44           HB       ILE  44  13.511   3.230   0.407
  281   HG12  ILE  44          2HG1      ILE  44  12.915   5.469   1.473
  282   HG13  ILE  44          1HG1      ILE  44  11.291   4.825   1.711
  283   HG21  ILE  44          1HG2      ILE  44  11.734   5.343  -0.668
  284   HG22  ILE  44          2HG2      ILE  44  11.842   3.867  -1.628
  285   HG23  ILE  44          3HG2      ILE  44  13.300   4.785  -1.252
  286   HD11  ILE  44          3HD1      ILE  44  11.975   3.728   3.547
  287   HD12  ILE  44          1HD1      ILE  44  13.586   4.413   3.342
  288   HD13  ILE  44          2HD1      ILE  44  13.185   2.866   2.596
  289    H    CYS  45           H        CYS  45   9.440   1.497   1.517
  290    HA   CYS  45           HA       CYS  45   7.492   3.495   0.600
  291    HB2  CYS  45           2HB      CYS  45   5.926   2.107   2.074
  292    HB3  CYS  45           1HB      CYS  45   6.628   1.296   0.678
  293    H    ARG  46           H        ARG  46   9.375   2.899   3.468
  294    HA   ARG  46           HA       ARG  46   8.342   5.404   4.626
  295    HB2  ARG  46           2HB      ARG  46   8.213   2.859   6.260
  296    HB3  ARG  46           1HB      ARG  46   7.594   4.452   6.698
  297    HG2  ARG  46           2HG      ARG  46   6.010   4.319   4.769
  298    HG3  ARG  46           1HG      ARG  46   6.571   2.674   4.465
  299    HD2  ARG  46           2HD      ARG  46   5.604   1.839   6.412
  300    HD3  ARG  46           1HD      ARG  46   5.622   3.409   7.215
  301    HE   ARG  46           HE       ARG  46   3.842   3.192   4.874
  302   HH11  ARG  46          1HH1      ARG  46   4.073   4.707   7.744
  303   HH12  ARG  46          2HH1      ARG  46   2.509   4.278   8.354
  304   HH21  ARG  46          1HH2      ARG  46   1.906   1.914   5.888
  305   HH22  ARG  46          2HH2      ARG  46   1.282   2.696   7.302
  306    H    ILE  47           H        ILE  47   9.810   6.320   6.117
  307    HA   ILE  47           HA       ILE  47  12.443   4.936   6.214
  308    HB   ILE  47           HB       ILE  47  11.821   7.511   5.447
  309   HG12  ILE  47          2HG1      ILE  47  13.872   6.326   4.894
  310   HG13  ILE  47          1HG1      ILE  47  14.287   7.879   5.617
  311   HG21  ILE  47          1HG2      ILE  47  12.784   8.996   7.172
  312   HG22  ILE  47          2HG2      ILE  47  12.924   7.624   8.271
  313   HG23  ILE  47          3HG2      ILE  47  11.332   8.190   7.767
  314   HD11  ILE  47          3HD1      ILE  47  15.377   5.544   6.437
  315   HD12  ILE  47          1HD1      ILE  47  13.974   5.607   7.503
  316   HD13  ILE  47          2HD1      ILE  47  15.146   6.922   7.513
  317    H    ALA  48           H        ALA  48  13.001   4.006   8.114
  318    HA   ALA  48           HA       ALA  48  11.393   4.536  10.513
  319    HB1  ALA  48           1HB      ALA  48  12.000   2.430  11.021
  320    HB2  ALA  48           2HB      ALA  48  13.699   2.904  11.046
  321    HB3  ALA  48           3HB      ALA  48  12.953   2.374   9.538
  322    H    ARG  49           H        ARG  49  12.698   4.798  12.639
  323    HA   ARG  49           HA       ARG  49  15.134   6.454  12.287
  324    HB2  ARG  49           2HB      ARG  49  12.683   7.682  12.544
  325    HB3  ARG  49           1HB      ARG  49  13.222   7.589  14.221
  326    HG2  ARG  49           2HG      ARG  49  15.517   8.424  13.116
  327    HG3  ARG  49           1HG      ARG  49  14.397   9.097  11.931
  328    HD2  ARG  49           2HD      ARG  49  14.713  10.779  13.619
  329    HD3  ARG  49           1HD      ARG  49  13.107  10.097  13.874
  330    HE   ARG  49           HE       ARG  49  13.925   9.001  15.855
  331   HH11  ARG  49          1HH2      ARG  49  15.403  11.806  15.593
  332   HH12  ARG  49          2HH2      ARG  49  16.949  11.352  16.230
  333   HH21  ARG  49          1HH1      ARG  49  16.318   7.947  16.042
  334   HH22  ARG  49          2HH1      ARG  49  17.466   9.166  16.484
  335    H    GLY  50           H        GLY  50  16.597   5.649  13.716
  336    HA2  GLY  50           2HA      GLY  50  16.688   5.489  16.364
  337    HA3  GLY  50           1HA      GLY  50  15.601   4.140  16.070
  338    H    ASP  51           H        ASP  51  16.673   2.968  13.863
  339    HA   ASP  51           HA       ASP  51  19.452   2.673  13.668
  340    HB2  ASP  51           2HB      ASP  51  18.328   1.462  16.080
  341    HB3  ASP  51           1HB      ASP  51  19.226   0.310  15.089
  342    H    TRP  52           H        TRP  52  16.617   0.559  14.050
  343    HA   TRP  52           HA       TRP  52  17.316  -1.459  12.256
  344    HB2  TRP  52           2HB      TRP  52  14.753  -1.463  11.703
  345    HB3  TRP  52           1HB      TRP  52  15.283  -1.842  13.341
  346    HD1  TRP  52           HD       TRP  52  13.639   0.899  11.272
  347    HE1  TRP  52           1HE      TRP  52  12.545   2.605  12.867
  348    HE3  TRP  52           3HE      TRP  52  15.385  -0.834  15.743
  349    HZ2  TRP  52           2HZ      TRP  52  12.427   3.158  15.672
  350    HZ3  TRP  52           3HZ      TRP  52  14.768   0.296  17.860
  351    HH2  TRP  52           HH       TRP  52  13.291   2.288  17.830
  352    H    ASN  53           H        ASN  53  16.697  -1.782   9.975
  353    HA   ASN  53           HA       ASN  53  17.599   0.321   8.292
  354    HB2  ASN  53           2HB      ASN  53  15.807  -1.969   7.447
  355    HB3  ASN  53           1HB      ASN  53  16.971  -1.094   6.451
  356   HD21  ASN  53          1HD2      ASN  53  19.058  -1.965   6.354
  357   HD22  ASN  53          2HD2      ASN  53  19.661  -3.144   7.414
  358    H    ASP  54           H        ASP  54  15.908   0.690   6.218
  359    HA   ASP  54           HA       ASP  54  13.871   2.463   7.378
  360    HB2  ASP  54           2HB      ASP  54  13.542   3.197   5.045
  361    HB3  ASP  54           1HB      ASP  54  15.254   3.198   5.462
  362    H    ASP  55           H        ASP  55  12.214   1.944   4.798
  363    HA   ASP  55           HA       ASP  55  10.956  -0.628   5.644
  364    HB2  ASP  55           2HB      ASP  55   9.869   1.906   6.139
  365    HB3  ASP  55           1HB      ASP  55   9.006   1.325   4.714
  366    H    ARG  56           H        ARG  56  10.823  -1.946   3.893
  367    HA   ARG  56           HA       ARG  56  10.959  -0.713   1.184
  368    HB2  ARG  56           2HB      ARG  56  11.332  -3.599   2.032
  369    HB3  ARG  56           1HB      ARG  56  11.608  -2.942   0.420
  370    HG2  ARG  56           2HG      ARG  56  13.018  -1.632   2.699
  371    HG3  ARG  56           1HG      ARG  56  13.604  -3.211   2.176
  372    HD2  ARG  56           2HD      ARG  56  14.066  -2.442  -0.016
  373    HD3  ARG  56           1HD      ARG  56  13.084  -0.992   0.197
  374    HE   ARG  56           HE       ARG  56  14.868  -0.247   1.854
  375   HH11  ARG  56          1HH2      ARG  56  16.053  -3.153   1.102
  376   HH12  ARG  56          2HH2      ARG  56  17.501  -2.625   0.311
  377   HH21  ARG  56          1HH1      ARG  56  16.499   0.688   0.106
  378   HH22  ARG  56          2HH1      ARG  56  17.753  -0.452  -0.252
  379    H    CYS  57           H        CYS  57   9.353  -1.009  -0.311
  380    HA   CYS  57           HA       CYS  57   6.721  -1.786   0.625
  381    HB2  CYS  57           2HB      CYS  57   7.839  -0.458  -1.656
  382    HB3  CYS  57           1HB      CYS  57   6.835  -1.786  -2.227
  383    H    THR  58           H        THR  58   5.494  -3.593  -0.186
  384    HA   THR  58           HA       THR  58   7.092  -6.019  -0.491
  385    HB   THR  58           HB       THR  58   4.270  -6.391  -1.010
  386    HG1  THR  58           1HG      THR  58   3.882  -4.534   0.093
  387   HG21  THR  58          HG21      THR  58   5.079  -8.247   0.000
  388   HG22  THR  58          1HG2      THR  58   4.822  -7.367   1.507
  389   HG23  THR  58          2HG2      THR  58   6.413  -7.365   0.744
  390    H    GLY  59           H        GLY  59   5.437  -3.787  -2.576
  391    HA2  GLY  59           2HA      GLY  59   5.774  -3.685  -4.949
  392    HA3  GLY  59           1HA      GLY  59   6.347  -5.351  -4.914
  393    H    GLN  60           H        GLN  60   3.922  -6.057  -3.195
  394    HA   GLN  60           HA       GLN  60   1.939  -6.080  -5.439
  395    HB2  GLN  60           2HB      GLN  60   2.472  -8.168  -3.303
  396    HB3  GLN  60           1HB      GLN  60   1.141  -8.240  -4.459
  397    HG2  GLN  60           2HG      GLN  60   2.702  -9.471  -5.629
  398    HG3  GLN  60           1HG      GLN  60   3.131  -7.859  -6.201
  399   HE21  GLN  60          1HE2      GLN  60   4.085 -10.424  -3.916
  400   HE22  GLN  60          2HE2      GLN  60   5.658  -9.841  -3.660
  401    H    SER  61           H        SER  61   2.548  -4.913  -2.350
  402    HA   SER  61           HA       SER  61  -0.374  -4.792  -1.721
  403    HB2  SER  61           2HB      SER  61   0.475  -5.678   0.220
  404    HB3  SER  61           1HB      SER  61   2.077  -5.000  -0.048
  405    HG   SER  61           HG       SER  61  -0.173  -3.390   0.539
  406    H    ALA  62           H        ALA  62  -1.231  -2.865  -2.324
  407    HA   ALA  62           HA       ALA  62   0.107  -0.558  -3.135
  408    HB1  ALA  62           1HB      ALA  62  -2.570  -0.915  -1.772
  409    HB2  ALA  62           2HB      ALA  62  -2.246  -0.628  -3.481
  410    HB3  ALA  62           3HB      ALA  62  -2.008   0.668  -2.309
  411    H    ASP  63           H        ASP  63  -0.873  -1.438   0.177
  412    HA   ASP  63           HA       ASP  63   0.290   1.006   1.288
  413    HB2  ASP  63           2HB      ASP  63  -0.300  -1.403   2.968
  414    HB3  ASP  63           1HB      ASP  63  -0.558   0.304   3.330
  415    H    CYS  64           H        CYS  64   1.749   0.195   3.448
  416    HA   CYS  64           HA       CYS  64   3.926  -1.480   2.277
  417    HB2  CYS  64           2HB      CYS  64   4.825   0.669   2.069
  418    HB3  CYS  64           1HB      CYS  64   4.079   1.241   3.555
  419    HA   PRO  65           HA       PRO  65   3.630  -3.637   6.057
  420    HB2  PRO  65           2HB      PRO  65   5.898  -5.120   5.688
  421    HB3  PRO  65           1HB      PRO  65   4.381  -5.466   4.861
  422    HG2  PRO  65           2HG      PRO  65   6.891  -4.280   3.800
  423    HG3  PRO  65           1HG      PRO  65   5.607  -5.144   2.939
  424    HD2  PRO  65           2HD      PRO  65   5.989  -2.337   2.997
  425    HD3  PRO  65           1HD      PRO  65   4.563  -3.200   2.379
  426    H    ARG  66           H        ARG  66   5.882  -4.522   7.498
  427    HA   ARG  66           HA       ARG  66   7.709  -2.283   7.956
  428    HB2  ARG  66           2HB      ARG  66   6.907  -2.396  10.505
  429    HB3  ARG  66           1HB      ARG  66   6.175  -1.275   9.355
  430    HG2  ARG  66           2HG      ARG  66   4.936  -3.927   9.276
  431    HG3  ARG  66           1HG      ARG  66   4.811  -3.168  10.862
  432    HD2  ARG  66           2HD      ARG  66   3.411  -1.536  10.117
  433    HD3  ARG  66           1HD      ARG  66   4.272  -1.361   8.588
  434    HE   ARG  66           HE       ARG  66   2.793  -3.858   8.726
  435   HH11  ARG  66          1HH1      ARG  66   1.899  -0.608   8.911
  436   HH12  ARG  66          2HH1      ARG  66   0.837  -0.648   7.543
  437   HH21  ARG  66          1HH2      ARG  66   1.724  -3.869   6.616
  438   HH22  ARG  66          2HH2      ARG  66   0.739  -2.495   6.244
  439    H    ASN  67           H        ASN  67   9.238  -2.852   9.798
  440    HA   ASN  67           HA       ASN  67  10.075  -5.615   9.507
  441    HB2  ASN  67           2HB      ASN  67  11.141  -3.151  10.652
  442    HB3  ASN  67           1HB      ASN  67  11.470  -4.549  11.677
  443   HD21  ASN  67          1HD2      ASN  67  13.653  -3.367  10.414
  444   HD22  ASN  67          2HD2      ASN  67  14.211  -4.363   9.158
  445    HA   PRO  68           HA       PRO  68   8.210  -7.408  13.055
  446    HB2  PRO  68           2HB      PRO  68  10.237  -9.001  14.009
  447    HB3  PRO  68           1HB      PRO  68   9.320  -9.364  12.537
  448    HG2  PRO  68           2HG      PRO  68  12.104  -8.332  12.805
  449    HG3  PRO  68           1HG      PRO  68  11.377  -9.269  11.490
  450    HD2  PRO  68           2HD      PRO  68  11.856  -6.475  11.473
  451    HD3  PRO  68           1HD      PRO  68  10.851  -7.373  10.314
  452    H    TRP  69           H        TRP  69  10.384  -5.001  13.424
  453    HA   TRP  69           HA       TRP  69  10.275  -5.170  16.409
  454    HB2  TRP  69           2HB      TRP  69  12.505  -3.825  14.874
  455    HB3  TRP  69           1HB      TRP  69  12.469  -4.260  16.583
  456    HD1  TRP  69           HD       TRP  69  14.134  -5.357  13.679
  457    HE1  TRP  69           1HE      TRP  69  14.654  -7.882  13.700
  458    HE3  TRP  69           3HE      TRP  69  10.967  -6.878  17.383
  459    HZ2  TRP  69           2HZ      TRP  69  13.834 -10.237  15.104
  460    HZ3  TRP  69           3HZ      TRP  69  10.856  -9.265  18.042
  461    HH2  TRP  69           HH       TRP  69  12.286 -10.944  16.909
  462    H    ASN  70           H        ASN  70   8.636  -3.796  14.206
  463    HA   ASN  70           HA       ASN  70   8.994  -0.985  15.157
  464    HB2  ASN  70           2HB      ASN  70   9.082  -1.666  12.617
  465    HB3  ASN  70           1HB      ASN  70   7.325  -1.724  12.770
  466   HD21  ASN  70          1HD2      ASN  70   8.164   0.226  11.081
  467   HD22  ASN  70          2HD2      ASN  70   8.100   1.759  11.807
  468    H    GLY  71           H        GLY  71   7.189  -3.660  15.788
  469    HA2  GLY  71           2HA      GLY  71   5.190  -2.237  17.257
  470    HA3  GLY  71           1HA      GLY  71   4.492  -2.802  15.739
  Start of MODEL   20
    1    H    GLY   1           1HT      GLY   1 -10.556 -10.066   6.279
    2    HA2  GLY   1           1HA      GLY   1 -12.947 -10.252   5.012
    3    HA3  GLY   1           2HA      GLY   1 -13.303  -9.250   6.419
    4    H    LYS   2           H        LYS   2 -12.610  -8.884   3.317
    5    HA   LYS   2           HA       LYS   2 -11.235  -6.302   3.785
    6    HB2  LYS   2           2HB      LYS   2 -10.100  -8.630   2.324
    7    HB3  LYS   2           1HB      LYS   2  -9.907  -7.055   1.556
    8    HG2  LYS   2           2HG      LYS   2  -8.366  -6.398   3.071
    9    HG3  LYS   2           1HG      LYS   2  -9.350  -6.961   4.422
   10    HD2  LYS   2           2HD      LYS   2  -8.629  -9.330   3.772
   11    HD3  LYS   2           1HD      LYS   2  -7.426  -8.566   2.733
   12    HE2  LYS   2           2HE      LYS   2  -6.216  -7.717   4.518
   13    HE3  LYS   2           1HE      LYS   2  -7.624  -7.658   5.578
   14    HZ1  LYS   2           3HZ      LYS   2  -5.993  -9.998   4.814
   15    HZ2  LYS   2           1HZ      LYS   2  -7.568 -10.184   5.416
   16    HZ3  LYS   2           2HZ      LYS   2  -6.379  -9.436   6.369
   17    H    GLU   3           H        GLU   3 -13.803  -6.227   3.239
   18    HA   GLU   3           HA       GLU   3 -14.261  -6.247   0.320
   19    HB2  GLU   3           2HB      GLU   3 -15.914  -6.369   2.699
   20    HB3  GLU   3           1HB      GLU   3 -16.483  -5.099   1.614
   21    HG2  GLU   3           2HG      GLU   3 -17.558  -6.823   0.577
   22    HG3  GLU   3           1HG      GLU   3 -15.985  -7.082  -0.178
   23    H    CYS   4           H        CYS   4 -12.662  -4.210   2.208
   24    HA   CYS   4           HA       CYS   4 -13.614  -1.808   0.704
   25    HB2  CYS   4           2HB      CYS   4 -12.915  -2.043   3.641
   26    HB3  CYS   4           1HB      CYS   4 -12.952  -0.494   2.808
   27    H    ASP   5           H        ASP   5 -11.902  -2.032  -0.773
   28    HA   ASP   5           HA       ASP   5  -9.164  -2.465   0.004
   29    HB2  ASP   5           2HB      ASP   5 -10.152  -2.853  -2.301
   30    HB3  ASP   5           1HB      ASP   5 -10.143  -1.102  -2.520
   31    H    CYS   6           H        CYS   6 -11.179   0.393  -0.235
   32    HA   CYS   6           HA       CYS   6  -8.779   2.040   0.466
   33    HB2  CYS   6           2HB      CYS   6  -9.916   3.949  -0.588
   34    HB3  CYS   6           1HB      CYS   6  -9.730   2.629  -1.743
   35    H    SER   7           H        SER   7  -9.377   4.000   1.817
   36    HA   SER   7           HA       SER   7 -11.477   3.219   3.796
   37    HB2  SER   7           2HB      SER   7  -9.184   3.339   4.704
   38    HB3  SER   7           1HB      SER   7  -9.047   5.003   4.141
   39    HG   SER   7           HG       SER   7  -9.705   5.145   6.226
   40    H    SER   8           H        SER   8 -10.490   5.648   1.530
   41    HA   SER   8           HA       SER   8 -12.365   7.631   2.683
   42    HB2  SER   8           2HB      SER   8  -9.944   7.854   1.291
   43    HB3  SER   8           1HB      SER   8 -11.170   8.372   0.137
   44    HG   SER   8           HG       SER   8 -10.973  10.174   1.241
   45    HA   PRO   9           HA       PRO   9 -15.439   6.181  -0.184
   46    HB2  PRO   9           2HB      PRO   9 -17.349   8.038   0.503
   47    HB3  PRO   9           1HB      PRO   9 -16.995   6.594   1.469
   48    HG2  PRO   9           2HG      PRO   9 -16.269   9.435   2.005
   49    HG3  PRO   9           1HG      PRO   9 -16.506   8.103   3.148
   50    HD2  PRO   9           2HD      PRO   9 -14.010   9.114   2.267
   51    HD3  PRO   9           1HD      PRO   9 -14.270   7.592   3.146
   52    H    GLU  10           H        GLU  10 -13.979   9.310  -0.101
   53    HA   GLU  10           HA       GLU  10 -15.370  10.314  -2.487
   54    HB2  GLU  10           2HB      GLU  10 -14.342  11.697  -0.514
   55    HB3  GLU  10           1HB      GLU  10 -12.824  11.481  -1.387
   56    HG2  GLU  10           2HG      GLU  10 -13.404  13.007  -2.942
   57    HG3  GLU  10           1HG      GLU  10 -14.984  12.258  -3.179
   58    H    ASN  11           H        ASN  11 -12.812   8.190  -1.859
   59    HA   ASN  11           HA       ASN  11 -11.094   8.828  -4.084
   60    HB2  ASN  11           2HB      ASN  11 -10.622   7.350  -1.997
   61    HB3  ASN  11           1HB      ASN  11 -11.395   6.066  -2.927
   62   HD21  ASN  11          1HD2      ASN  11  -8.938   5.303  -2.612
   63   HD22  ASN  11          2HD2      ASN  11  -7.896   5.710  -3.887
   64    HA   PRO  12           HA       PRO  12 -13.989   7.164  -7.070
   65    HB2  PRO  12           2HB      PRO  12 -12.580   8.032  -9.266
   66    HB3  PRO  12           1HB      PRO  12 -13.654   9.074  -8.315
   67    HG2  PRO  12           2HG      PRO  12 -10.674   9.003  -8.367
   68    HG3  PRO  12           1HG      PRO  12 -11.758  10.347  -7.969
   69    HD2  PRO  12           2HD      PRO  12 -10.351   8.740  -6.109
   70    HD3  PRO  12           1HD      PRO  12 -11.673   9.864  -5.730
   71    H    CYS  13           H        CYS  13 -10.561   6.521  -6.799
   72    HA   CYS  13           HA       CYS  13 -10.383   4.508  -8.845
   73    HB2  CYS  13           2HB      CYS  13  -8.655   5.679  -6.883
   74    HB3  CYS  13           1HB      CYS  13  -8.548   3.922  -6.740
   75    H    CYS  14           H        CYS  14 -11.996   4.551  -5.866
   76    HA   CYS  14           HA       CYS  14 -12.251   1.586  -5.993
   77    HB2  CYS  14           2HB      CYS  14 -12.056   1.365  -3.612
   78    HB3  CYS  14           1HB      CYS  14 -10.675   2.326  -4.141
   79    H    ASP  15           H        ASP  15 -14.347   0.948  -5.970
   80    HA   ASP  15           HA       ASP  15 -16.517   2.772  -6.072
   81    HB2  ASP  15           2HB      ASP  15 -16.332   0.220  -6.716
   82    HB3  ASP  15           1HB      ASP  15 -16.894  -0.030  -5.060
   83    H    ALA  16           H        ALA  16 -17.682   3.762  -4.461
   84    HA   ALA  16           HA       ALA  16 -16.779   3.616  -1.724
   85    HB1  ALA  16           1HB      ALA  16 -17.779   5.648  -1.941
   86    HB2  ALA  16           2HB      ALA  16 -19.266   4.775  -1.575
   87    HB3  ALA  16           3HB      ALA  16 -18.821   5.095  -3.252
   88    H    ALA  17           H        ALA  17 -19.668   2.372  -3.410
   89    HA   ALA  17           HA       ALA  17 -20.987   1.239  -1.186
   90    HB1  ALA  17           1HB      ALA  17 -22.160   1.226  -3.254
   91    HB2  ALA  17           2HB      ALA  17 -21.826  -0.474  -2.918
   92    HB3  ALA  17           3HB      ALA  17 -20.840   0.404  -4.088
   93    H    THR  18           H        THR  18 -18.668  -0.374  -3.396
   94    HA   THR  18           HA       THR  18 -18.363  -2.546  -1.398
   95    HB   THR  18           HB       THR  18 -17.256  -3.778  -3.133
   96    HG1  THR  18           1HG      THR  18 -16.934  -2.562  -5.190
   97   HG21  THR  18          3HG2      THR  18 -18.899  -3.178  -5.154
   98   HG22  THR  18          1HG2      THR  18 -19.695  -2.236  -3.894
   99   HG23  THR  18          2HG2      THR  18 -19.482  -3.976  -3.693
  100    H    CYS  19           H        CYS  19 -17.141   0.409  -1.630
  101    HA   CYS  19           HA       CYS  19 -15.030   1.420  -1.273
  102    HB2  CYS  19           2HB      CYS  19 -13.940   0.174   0.818
  103    HB3  CYS  19           1HB      CYS  19 -15.350   1.200   0.990
  104    H    LYS  20           H        LYS  20 -14.932  -0.776  -3.252
  105    HA   LYS  20           HA       LYS  20 -12.089  -1.581  -2.776
  106    HB2  LYS  20           2HB      LYS  20 -14.317  -3.147  -4.096
  107    HB3  LYS  20           1HB      LYS  20 -12.613  -3.601  -4.195
  108    HG2  LYS  20           2HG      LYS  20 -13.330  -3.039  -1.452
  109    HG3  LYS  20           1HG      LYS  20 -14.429  -4.242  -2.130
  110    HD2  LYS  20           2HD      LYS  20 -11.406  -4.398  -2.302
  111    HD3  LYS  20           1HD      LYS  20 -12.384  -5.261  -1.114
  112    HE2  LYS  20           2HE      LYS  20 -12.945  -5.518  -4.065
  113    HE3  LYS  20           1HE      LYS  20 -11.726  -6.523  -3.282
  114    HZ1  LYS  20           3HZ      LYS  20 -13.952  -7.550  -3.349
  115    HZ2  LYS  20           1HZ      LYS  20 -14.544  -6.294  -2.376
  116    HZ3  LYS  20           2HZ      LYS  20 -13.362  -7.353  -1.769
  117    H    LEU  21           H        LEU  21 -11.153  -2.311  -5.085
  118    HA   LEU  21           HA       LEU  21 -11.070   0.081  -6.665
  119    HB2  LEU  21           2HB      LEU  21 -10.069  -2.733  -7.095
  120    HB3  LEU  21           1HB      LEU  21  -9.869  -1.486  -8.327
  121    HG   LEU  21           HG       LEU  21  -9.116  -0.435  -5.749
  122   HD11  LEU  21          1HD1      LEU  21  -8.625  -3.156  -5.868
  123   HD12  LEU  21          2HD1      LEU  21  -7.747  -2.005  -4.861
  124   HD13  LEU  21          3HD1      LEU  21  -7.110  -2.459  -6.441
  125   HD21  LEU  21          3HD2      LEU  21  -7.883   0.681  -7.273
  126   HD22  LEU  21          1HD2      LEU  21  -8.222  -0.535  -8.505
  127   HD23  LEU  21          2HD2      LEU  21  -6.862  -0.751  -7.404
  128    H    ARG  22           H        ARG  22 -12.481   0.762  -8.174
  129    HA   ARG  22           HA       ARG  22 -14.615  -1.037  -9.093
  130    HB2  ARG  22           2HB      ARG  22 -14.299   1.778  -8.766
  131    HB3  ARG  22           1HB      ARG  22 -14.653   1.474 -10.468
  132    HG2  ARG  22           2HG      ARG  22 -16.349  -0.238  -8.977
  133    HG3  ARG  22           1HG      ARG  22 -16.440   1.349  -8.212
  134    HD2  ARG  22           2HD      ARG  22 -16.896   2.373 -10.424
  135    HD3  ARG  22           1HD      ARG  22 -16.847   0.773 -11.163
  136    HE   ARG  22           HE       ARG  22 -18.819   0.227  -9.624
  137   HH11  ARG  22          1HH1      ARG  22 -18.493   3.123  -8.466
  138   HH12  ARG  22          2HH1      ARG  22 -19.873   3.879  -9.190
  139   HH21  ARG  22          1HH2      ARG  22 -20.401   1.329 -11.478
  140   HH22  ARG  22          2HH2      ARG  22 -20.953   2.863 -10.896
  141    HA   PRO  23           HA       PRO  23 -12.516  -0.166 -13.289
  142    HB2  PRO  23           2HB      PRO  23 -10.185   1.290 -13.286
  143    HB3  PRO  23           1HB      PRO  23 -11.795   2.018 -13.426
  144    HG2  PRO  23           2HG      PRO  23  -9.946   1.991 -11.092
  145    HG3  PRO  23           1HG      PRO  23 -11.220   3.151 -11.500
  146    HD2  PRO  23           2HD      PRO  23 -11.396   1.078  -9.574
  147    HD3  PRO  23           1HD      PRO  23 -12.746   2.054 -10.192
  148    H    GLY  24           H        GLY  24  -9.832  -0.378 -14.114
  149    HA2  GLY  24           2HA      GLY  24  -9.125  -2.993 -12.928
  150    HA3  GLY  24           1HA      GLY  24  -8.463  -2.322 -14.419
  151    H    ALA  25           H        ALA  25  -8.660  -0.801 -11.204
  152    HA   ALA  25           HA       ALA  25  -5.764  -0.215 -11.377
  153    HB1  ALA  25           1HB      ALA  25  -6.574   0.859  -9.001
  154    HB2  ALA  25           2HB      ALA  25  -8.091   0.875  -9.900
  155    HB3  ALA  25           3HB      ALA  25  -6.676   1.709 -10.542
  156    H    GLN  26           H        GLN  26  -4.242  -1.108  -9.944
  157    HA   GLN  26           HA       GLN  26  -4.966  -3.611  -8.674
  158    HB2  GLN  26           2HB      GLN  26  -2.568  -2.302  -9.444
  159    HB3  GLN  26           1HB      GLN  26  -2.452  -2.601  -7.709
  160    HG2  GLN  26           2HG      GLN  26  -1.944  -4.743  -8.178
  161    HG3  GLN  26           1HG      GLN  26  -3.585  -4.937  -8.796
  162   HE21  GLN  26          1HE2      GLN  26  -2.339  -6.517 -10.307
  163   HE22  GLN  26          2HE2      GLN  26  -1.692  -5.860 -11.732
  164    H    CYS  27           H        CYS  27  -4.533  -0.300  -7.577
  165    HA   CYS  27           HA       CYS  27  -5.816  -0.999  -5.032
  166    HB2  CYS  27           2HB      CYS  27  -3.733  -1.388  -4.120
  167    HB3  CYS  27           1HB      CYS  27  -2.908  -0.334  -5.258
  168    H    GLY  28           H        GLY  28  -6.630   0.882  -3.953
  169    HA2  GLY  28           2HA      GLY  28  -6.836   3.238  -5.749
  170    HA3  GLY  28           1HA      GLY  28  -7.933   2.873  -4.421
  171    H    GLU  29           H        GLU  29  -5.744   2.237  -2.574
  172    HA   GLU  29           HA       GLU  29  -4.266   4.785  -2.375
  173    HB2  GLU  29           2HB      GLU  29  -5.128   5.319  -0.202
  174    HB3  GLU  29           1HB      GLU  29  -6.509   5.072  -1.261
  175    HG2  GLU  29           2HG      GLU  29  -7.238   3.645   0.342
  176    HG3  GLU  29           1HG      GLU  29  -6.057   2.529  -0.346
  177    H    GLY  30           H        GLY  30  -2.359   4.577  -1.197
  178    HA2  GLY  30           2HA      GLY  30  -1.587   2.822   0.772
  179    HA3  GLY  30           1HA      GLY  30  -1.412   1.854  -0.692
  180    H    LEU  31           H        LEU  31   0.860   2.553   0.846
  181    HA   LEU  31           HA       LEU  31   2.053   4.893  -0.413
  182    HB2  LEU  31           2HB      LEU  31   4.166   4.100   0.725
  183    HB3  LEU  31           1HB      LEU  31   2.839   4.522   1.787
  184    HG   LEU  31           HG       LEU  31   4.217   2.328   2.193
  185   HD11  LEU  31          1HD1      LEU  31   1.467   1.513   2.424
  186   HD12  LEU  31          2HD1      LEU  31   1.622   3.223   2.817
  187   HD13  LEU  31          3HD1      LEU  31   2.584   2.027   3.687
  188   HD21  LEU  31          3HD2      LEU  31   3.350   0.369   1.088
  189   HD22  LEU  31          1HD2      LEU  31   3.842   1.505  -0.158
  190   HD23  LEU  31          2HD2      LEU  31   2.134   1.318   0.241
  191    H    CYS  32           H        CYS  32   1.485   1.777  -1.405
  192    HA   CYS  32           HA       CYS  32   3.787   1.850  -3.310
  193    HB2  CYS  32           2HB      CYS  32   3.010  -0.188  -1.549
  194    HB3  CYS  32           1HB      CYS  32   2.413  -0.709  -3.124
  195    H    CYS  33           H        CYS  33   0.804   2.854  -3.239
  196    HA   CYS  33           HA       CYS  33  -0.177   1.455  -5.660
  197    HB2  CYS  33           2HB      CYS  33  -1.543   3.604  -4.025
  198    HB3  CYS  33           1HB      CYS  33  -2.293   2.544  -5.217
  199    H    GLU  34           H        GLU  34   1.289   2.367  -7.201
  200    HA   GLU  34           HA       GLU  34   1.316   5.305  -7.516
  201    HB2  GLU  34           2HB      GLU  34   3.022   4.926  -9.191
  202    HB3  GLU  34           1HB      GLU  34   3.403   3.897  -7.810
  203    HG2  GLU  34           2HG      GLU  34   3.566   2.292  -9.439
  204    HG3  GLU  34           1HG      GLU  34   1.821   2.204  -9.192
  205    H    GLN  35           H        GLN  35  -0.286   6.216  -8.724
  206    HA   GLN  35           HA       GLN  35  -1.948   6.434 -10.364
  207    HB2  GLN  35           2HB      GLN  35  -0.382   4.209 -11.710
  208    HB3  GLN  35           1HB      GLN  35  -1.595   5.226 -12.486
  209    HG2  GLN  35           2HG      GLN  35  -0.238   7.209 -12.136
  210    HG3  GLN  35           1HG      GLN  35   0.936   6.284 -11.197
  211   HE21  GLN  35          1HE2      GLN  35   2.525   7.050 -12.920
  212   HE22  GLN  35          2HE2      GLN  35   2.617   6.177 -14.374
  213    H    CYS  36           H        CYS  36  -2.305   4.704  -8.091
  214    HA   CYS  36           HA       CYS  36  -3.869   3.160  -7.299
  215    HB2  CYS  36           2HB      CYS  36  -4.933   3.630 -10.089
  216    HB3  CYS  36           1HB      CYS  36  -5.709   2.509  -8.969
  217    H    LYS  37           H        LYS  37  -1.384   2.470  -9.050
  218    HA   LYS  37           HA       LYS  37  -2.132  -0.386  -9.552
  219    HB2  LYS  37           2HB      LYS  37  -0.714   1.536 -11.160
  220    HB3  LYS  37           1HB      LYS  37   0.386   0.226 -10.732
  221    HG2  LYS  37           2HG      LYS  37  -1.306  -1.419 -11.512
  222    HG3  LYS  37           1HG      LYS  37  -2.347  -0.085 -12.008
  223    HD2  LYS  37           2HD      LYS  37   0.483  -0.458 -13.026
  224    HD3  LYS  37           1HD      LYS  37  -0.942  -1.065 -13.870
  225    HE2  LYS  37           2HE      LYS  37  -1.164   0.959 -14.829
  226    HE3  LYS  37           1HE      LYS  37  -1.521   1.620 -13.234
  227    HZ1  LYS  37           3HZ      LYS  37   0.902   1.780 -14.797
  228    HZ2  LYS  37           1HZ      LYS  37   1.152   1.402 -13.163
  229    HZ3  LYS  37           2HZ      LYS  37   0.317   2.819 -13.587
  230    H    PHE  38           H        PHE  38  -0.250  -1.924  -9.099
  231    HA   PHE  38           HA       PHE  38   0.834  -1.330  -6.449
  232    HB2  PHE  38           2HB      PHE  38   0.983  -3.671  -8.333
  233    HB3  PHE  38           1HB      PHE  38   2.101  -3.571  -6.982
  234    HD1  PHE  38           2HD      PHE  38  -0.894  -1.881  -6.122
  235    HD2  PHE  38           1HD      PHE  38   0.784  -5.818  -6.509
  236    HE1  PHE  38           2HE      PHE  38  -2.623  -2.774  -4.590
  237    HE2  PHE  38           1HE      PHE  38  -0.949  -6.707  -4.978
  238    HZ   PHE  38           HZ       PHE  38  -2.653  -5.185  -4.017
  239    H    SER  39           H        SER  39   2.676  -0.166  -6.171
  240    HA   SER  39           HA       SER  39   4.392   0.606  -8.321
  241    HB2  SER  39           2HB      SER  39   5.141   0.449  -5.387
  242    HB3  SER  39           1HB      SER  39   5.865   1.487  -6.612
  243    HG   SER  39           HG       SER  39   4.090   2.311  -5.117
  244    H    ARG  40           H        ARG  40   6.891  -0.203  -6.611
  245    HA   ARG  40           HA       ARG  40   6.994  -3.006  -7.648
  246    HB2  ARG  40           2HB      ARG  40   8.672  -0.736  -8.257
  247    HB3  ARG  40           1HB      ARG  40   9.634  -1.993  -7.479
  248    HG2  ARG  40           2HG      ARG  40   9.732  -2.880  -9.577
  249    HG3  ARG  40           1HG      ARG  40   8.123  -3.488  -9.190
  250    HD2  ARG  40           2HD      ARG  40   7.886  -0.769 -10.070
  251    HD3  ARG  40           1HD      ARG  40   8.841  -1.666 -11.251
  252    HE   ARG  40           HE       ARG  40   6.768  -3.373 -10.870
  253   HH11  ARG  40          1HH2      ARG  40   7.191  -0.175 -11.975
  254   HH12  ARG  40          2HH2      ARG  40   5.539   0.041 -12.448
  255   HH21  ARG  40          1HH1      ARG  40   4.500  -3.016 -11.189
  256   HH22  ARG  40          2HH1      ARG  40   4.016  -1.566 -12.003
  257    H    ALA  41           H        ALA  41   8.788  -4.282  -6.503
  258    HA   ALA  41           HA       ALA  41   8.429  -3.936  -3.607
  259    HB1  ALA  41           1HB      ALA  41   9.207  -6.140  -3.393
  260    HB2  ALA  41           2HB      ALA  41  10.164  -6.048  -4.871
  261    HB3  ALA  41           3HB      ALA  41   8.408  -6.178  -4.964
  262    H    GLY  42           H        GLY  42  10.297  -3.978  -2.160
  263    HA2  GLY  42           2HA      GLY  42  12.398  -3.234  -1.473
  264    HA3  GLY  42           1HA      GLY  42  12.959  -3.392  -3.126
  265    H    LYS  43           H        LYS  43  10.092  -1.545  -2.490
  266    HA   LYS  43           HA       LYS  43  11.580   0.883  -3.369
  267    HB2  LYS  43           2HB      LYS  43   9.740   1.065  -4.669
  268    HB3  LYS  43           1HB      LYS  43   8.868  -0.137  -3.732
  269    HG2  LYS  43           2HG      LYS  43   7.580   1.824  -3.465
  270    HG3  LYS  43           1HG      LYS  43   8.531   1.774  -1.990
  271    HD2  LYS  43           2HD      LYS  43   9.358   3.806  -2.495
  272    HD3  LYS  43           1HD      LYS  43  10.110   3.113  -3.933
  273    HE2  LYS  43           2HE      LYS  43   7.315   3.436  -4.455
  274    HE3  LYS  43           1HE      LYS  43   7.933   4.954  -3.806
  275    HZ1  LYS  43           3HZ      LYS  43   8.595   3.587  -6.288
  276    HZ2  LYS  43           1HZ      LYS  43   9.881   4.343  -5.483
  277    HZ3  LYS  43           2HZ      LYS  43   8.523   5.251  -5.947
  278    H    ILE  44           H        ILE  44  12.137   2.423  -1.916
  279    HA   ILE  44           HA       ILE  44  11.762   2.177   0.865
  280    HB   ILE  44           HB       ILE  44  13.452   3.664   0.132
  281   HG12  ILE  44          2HG1      ILE  44  12.860   5.837   1.132
  282   HG13  ILE  44          1HG1      ILE  44  11.151   5.418   1.064
  283   HG21  ILE  44          1HG2      ILE  44  13.211   4.645  -1.866
  284   HG22  ILE  44          2HG2      ILE  44  12.081   5.788  -1.141
  285   HG23  ILE  44          3HG2      ILE  44  11.484   4.291  -1.860
  286   HD11  ILE  44          3HD1      ILE  44  13.076   4.750   3.086
  287   HD12  ILE  44          1HD1      ILE  44  12.472   3.264   2.354
  288   HD13  ILE  44          2HD1      ILE  44  11.344   4.418   3.067
  289    H    CYS  45           H        CYS  45   9.562   1.655   1.231
  290    HA   CYS  45           HA       CYS  45   7.436   3.520   0.443
  291    HB2  CYS  45           2HB      CYS  45   6.047   2.005   1.988
  292    HB3  CYS  45           1HB      CYS  45   6.724   1.257   0.544
  293    H    ARG  46           H        ARG  46   9.254   2.725   3.349
  294    HA   ARG  46           HA       ARG  46   8.197   5.223   4.592
  295    HB2  ARG  46           2HB      ARG  46   8.689   2.812   6.312
  296    HB3  ARG  46           1HB      ARG  46   7.623   4.188   6.600
  297    HG2  ARG  46           2HG      ARG  46   7.150   2.167   4.396
  298    HG3  ARG  46           1HG      ARG  46   6.438   2.023   6.004
  299    HD2  ARG  46           2HD      ARG  46   6.034   4.700   5.038
  300    HD3  ARG  46           1HD      ARG  46   5.475   3.556   3.816
  301    HE   ARG  46           HE       ARG  46   4.352   2.528   6.077
  302   HH11  ARG  46          1HH1      ARG  46   3.292   4.649   3.901
  303   HH12  ARG  46          2HH1      ARG  46   2.362   5.651   4.966
  304   HH21  ARG  46          1HH2      ARG  46   3.693   4.272   7.856
  305   HH22  ARG  46          2HH2      ARG  46   2.589   5.437   7.205
  306    H    ILE  47           H        ILE  47   9.738   6.379   5.731
  307    HA   ILE  47           HA       ILE  47  12.522   5.641   5.295
  308    HB   ILE  47           HB       ILE  47  11.547   8.010   5.294
  309   HG12  ILE  47          2HG1      ILE  47  13.783   8.080   7.218
  310   HG13  ILE  47          1HG1      ILE  47  14.064   7.050   5.815
  311   HG21  ILE  47          1HG2      ILE  47  11.015   9.062   7.295
  312   HG22  ILE  47          2HG2      ILE  47  12.014   7.971   8.255
  313   HG23  ILE  47          3HG2      ILE  47  10.455   7.425   7.636
  314   HD11  ILE  47          3HD1      ILE  47  13.065   9.128   4.505
  315   HD12  ILE  47          1HD1      ILE  47  14.767   9.085   4.964
  316   HD13  ILE  47          2HD1      ILE  47  13.616  10.005   5.933
  317    H    ALA  48           H        ALA  48  14.081   5.781   7.238
  318    HA   ALA  48           HA       ALA  48  12.850   4.471   9.631
  319    HB1  ALA  48           1HB      ALA  48  13.978   2.650   8.745
  320    HB2  ALA  48           2HB      ALA  48  15.269   3.365   9.711
  321    HB3  ALA  48           3HB      ALA  48  15.205   3.654   7.972
  322    H    ARG  49           H        ARG  49  13.548   5.282  11.595
  323    HA   ARG  49           HA       ARG  49  15.842   7.193  11.554
  324    HB2  ARG  49           2HB      ARG  49  13.034   7.628  12.526
  325    HB3  ARG  49           1HB      ARG  49  14.367   8.457  13.331
  326    HG2  ARG  49           2HG      ARG  49  15.105   9.108  10.914
  327    HG3  ARG  49           1HG      ARG  49  13.444   8.705  10.476
  328    HD2  ARG  49           2HD      ARG  49  13.228  10.260  12.804
  329    HD3  ARG  49           1HD      ARG  49  14.455  11.065  11.824
  330    HE   ARG  49           HE       ARG  49  11.905  10.307  10.505
  331   HH11  ARG  49          1HH2      ARG  49  13.874  12.151   9.226
  332   HH12  ARG  49          2HH2      ARG  49  13.196  13.708   9.566
  333   HH21  ARG  49          1HH1      ARG  49  11.094  12.540  12.065
  334   HH22  ARG  49          2HH1      ARG  49  11.622  13.928  11.174
  335    H    GLY  50           H        GLY  50  17.329   6.304  12.904
  336    HA2  GLY  50           2HA      GLY  50  17.509   6.063  15.507
  337    HA3  GLY  50           1HA      GLY  50  16.370   4.746  15.254
  338    H    ASP  51           H        ASP  51  17.385   3.707  12.880
  339    HA   ASP  51           HA       ASP  51  20.081   3.267  12.540
  340    HB2  ASP  51           2HB      ASP  51  19.224   2.239  15.103
  341    HB3  ASP  51           1HB      ASP  51  19.820   0.929  14.084
  342    H    TRP  52           H        TRP  52  17.196   1.315  13.192
  343    HA   TRP  52           HA       TRP  52  17.671  -0.808  11.427
  344    HB2  TRP  52           2HB      TRP  52  15.144  -0.898  11.178
  345    HB3  TRP  52           1HB      TRP  52  15.731  -0.894  12.841
  346    HD1  TRP  52           HD       TRP  52  14.348   1.549  10.200
  347    HE1  TRP  52           1HE      TRP  52  13.151   3.474  11.426
  348    HE3  TRP  52           3HE      TRP  52  15.394   0.296  15.037
  349    HZ2  TRP  52           2HZ      TRP  52  12.698   4.366  14.109
  350    HZ3  TRP  52           3HZ      TRP  52  14.568   1.697  16.906
  351    HH2  TRP  52           HH       TRP  52  13.222   3.728  16.449
  352    H    ASN  53           H        ASN  53  17.221  -1.140   9.200
  353    HA   ASN  53           HA       ASN  53  17.749   1.075   7.473
  354    HB2  ASN  53           2HB      ASN  53  16.427  -1.542   6.703
  355    HB3  ASN  53           1HB      ASN  53  17.349  -0.466   5.652
  356   HD21  ASN  53          1HD2      ASN  53  19.092  -1.915   5.169
  357   HD22  ASN  53          2HD2      ASN  53  20.161  -2.495   6.354
  358    H    ASP  54           H        ASP  54  16.225   1.767   5.677
  359    HA   ASP  54           HA       ASP  54  13.812   2.841   6.777
  360    HB2  ASP  54           2HB      ASP  54  13.322   3.565   4.497
  361    HB3  ASP  54           1HB      ASP  54  15.035   3.816   4.831
  362    H    ASP  55           H        ASP  55  12.173   2.122   4.300
  363    HA   ASP  55           HA       ASP  55  11.505  -0.690   5.051
  364    HB2  ASP  55           2HB      ASP  55   9.621   1.662   4.803
  365    HB3  ASP  55           1HB      ASP  55   9.065  -0.010   4.744
  366    H    ARG  56           H        ARG  56  11.597  -1.932   3.282
  367    HA   ARG  56           HA       ARG  56  11.530  -0.713   0.589
  368    HB2  ARG  56           2HB      ARG  56  12.486  -3.222   1.818
  369    HB3  ARG  56           1HB      ARG  56  11.762  -3.428   0.225
  370    HG2  ARG  56           2HG      ARG  56  14.276  -2.936   0.262
  371    HG3  ARG  56           1HG      ARG  56  13.306  -1.900  -0.776
  372    HD2  ARG  56           2HD      ARG  56  14.969  -0.670   0.639
  373    HD3  ARG  56           1HD      ARG  56  13.300  -0.141   0.831
  374    HE   ARG  56           HE       ARG  56  13.664  -0.643   3.108
  375   HH11  ARG  56          1HH2      ARG  56  16.340  -1.991   1.832
  376   HH12  ARG  56          2HH2      ARG  56  16.330  -3.447   2.770
  377   HH21  ARG  56          1HH1      ARG  56  13.123  -2.949   3.994
  378   HH22  ARG  56          2HH1      ARG  56  14.509  -3.989   3.995
  379    H    CYS  57           H        CYS  57   9.795  -0.821  -0.741
  380    HA   CYS  57           HA       CYS  57   7.229  -1.675   0.209
  381    HB2  CYS  57           2HB      CYS  57   8.234  -0.232  -1.993
  382    HB3  CYS  57           1HB      CYS  57   7.377  -1.607  -2.677
  383    H    THR  58           H        THR  58   6.024  -3.521  -0.359
  384    HA   THR  58           HA       THR  58   7.548  -5.933  -0.848
  385    HB   THR  58           HB       THR  58   4.832  -6.509  -1.259
  386    HG1  THR  58           1HG      THR  58   4.028  -4.667  -0.540
  387   HG21  THR  58          3HG2      THR  58   6.002  -7.994   0.082
  388   HG22  THR  58          1HG2      THR  58   5.105  -7.100   1.308
  389   HG23  THR  58          2HG2      THR  58   6.795  -6.708   0.993
  390    H    GLY  59           H        GLY  59   5.535  -3.808  -2.808
  391    HA2  GLY  59           2HA      GLY  59   5.703  -3.614  -5.191
  392    HA3  GLY  59           1HA      GLY  59   6.563  -5.153  -5.231
  393    H    GLN  60           H        GLN  60   4.630  -6.565  -3.574
  394    HA   GLN  60           HA       GLN  60   2.482  -6.880  -5.617
  395    HB2  GLN  60           2HB      GLN  60   3.526  -8.724  -3.452
  396    HB3  GLN  60           1HB      GLN  60   2.096  -9.080  -4.421
  397    HG2  GLN  60           2HG      GLN  60   3.326  -9.310  -6.396
  398    HG3  GLN  60           1HG      GLN  60   4.674  -8.351  -5.784
  399   HE21  GLN  60          1HE2      GLN  60   3.076 -10.999  -4.000
  400   HE22  GLN  60          2HE2      GLN  60   4.432 -12.019  -3.974
  401    H    SER  61           H        SER  61   2.928  -5.234  -2.819
  402    HA   SER  61           HA       SER  61   0.064  -5.610  -2.029
  403    HB2  SER  61           2HB      SER  61   2.023  -4.657   0.004
  404    HB3  SER  61           1HB      SER  61   0.596  -5.670   0.208
  405    HG   SER  61           HG       SER  61   2.325  -7.007   0.437
  406    H    ALA  62           H        ALA  62  -1.081  -3.693  -1.566
  407    HA   ALA  62           HA       ALA  62  -0.052  -1.281  -2.803
  408    HB1  ALA  62           1HB      ALA  62  -2.219  -0.440  -1.352
  409    HB2  ALA  62           2HB      ALA  62  -2.582  -2.154  -1.566
  410    HB3  ALA  62           3HB      ALA  62  -2.306  -1.127  -2.972
  411    H    ASP  63           H        ASP  63  -0.792  -2.167   0.594
  412    HA   ASP  63           HA       ASP  63   0.393   0.328   1.544
  413    HB2  ASP  63           2HB      ASP  63  -0.170  -2.081   3.271
  414    HB3  ASP  63           1HB      ASP  63  -0.187  -0.372   3.720
  415    H    CYS  64           H        CYS  64   2.172   0.047   3.348
  416    HA   CYS  64           HA       CYS  64   4.259  -1.720   2.156
  417    HB2  CYS  64           2HB      CYS  64   5.053   0.467   1.973
  418    HB3  CYS  64           1HB      CYS  64   4.360   0.962   3.512
  419    HA   PRO  65           HA       PRO  65   4.262  -4.019   5.878
  420    HB2  PRO  65           2HB      PRO  65   6.467  -5.501   5.233
  421    HB3  PRO  65           1HB      PRO  65   4.871  -5.815   4.554
  422    HG2  PRO  65           2HG      PRO  65   7.267  -4.602   3.279
  423    HG3  PRO  65           1HG      PRO  65   5.898  -5.441   2.527
  424    HD2  PRO  65           2HD      PRO  65   6.296  -2.638   2.625
  425    HD3  PRO  65           1HD      PRO  65   4.808  -3.479   2.138
  426    H    ARG  66           H        ARG  66   4.967  -2.892   7.693
  427    HA   ARG  66           HA       ARG  66   7.573  -1.556   7.708
  428    HB2  ARG  66           2HB      ARG  66   6.965  -0.888  10.002
  429    HB3  ARG  66           1HB      ARG  66   5.644  -0.548   8.880
  430    HG2  ARG  66           2HG      ARG  66   4.639  -2.773   9.529
  431    HG3  ARG  66           1HG      ARG  66   5.875  -2.895  10.782
  432    HD2  ARG  66           2HD      ARG  66   5.088  -0.714  11.711
  433    HD3  ARG  66           1HD      ARG  66   3.787  -0.711  10.519
  434    HE   ARG  66           HE       ARG  66   2.750  -2.536  11.700
  435   HH11  ARG  66          1HH2      ARG  66   4.102  -0.636  13.854
  436   HH12  ARG  66          2HH2      ARG  66   4.620  -1.840  14.986
  437   HH21  ARG  66          1HH1      ARG  66   4.133  -4.488  12.799
  438   HH22  ARG  66          2HH1      ARG  66   4.638  -4.022  14.389
  439    H    ASN  67           H        ASN  67   8.851  -1.920   9.885
  440    HA   ASN  67           HA       ASN  67   9.415  -4.841  10.043
  441    HB2  ASN  67           2HB      ASN  67  11.614  -4.145  10.903
  442    HB3  ASN  67           1HB      ASN  67  11.276  -3.305   9.395
  443   HD21  ASN  67          1HD2      ASN  67  12.226  -2.819  12.614
  444   HD22  ASN  67          2HD2      ASN  67  11.920  -1.157  12.719
  445    HA   PRO  68           HA       PRO  68   8.061  -4.907  14.234
  446    HB2  PRO  68           2HB      PRO  68   9.865  -6.666  15.351
  447    HB3  PRO  68           1HB      PRO  68   8.542  -7.158  14.279
  448    HG2  PRO  68           2HG      PRO  68  11.455  -7.009  13.726
  449    HG3  PRO  68           1HG      PRO  68  10.211  -7.971  12.916
  450    HD2  PRO  68           2HD      PRO  68  11.374  -5.557  11.967
  451    HD3  PRO  68           1HD      PRO  68   9.980  -6.402  11.271
  452    H    TRP  69           H        TRP  69  10.326  -2.905  13.516
  453    HA   TRP  69           HA       TRP  69  11.125  -2.381  16.335
  454    HB2  TRP  69           2HB      TRP  69  13.035  -1.896  14.055
  455    HB3  TRP  69           1HB      TRP  69  13.387  -2.053  15.777
  456    HD1  TRP  69           HD       TRP  69  12.165  -4.619  16.648
  457    HE1  TRP  69           1HE      TRP  69  12.808  -6.910  15.671
  458    HE3  TRP  69           3HE      TRP  69  14.128  -3.141  12.179
  459    HZ2  TRP  69           2HZ      TRP  69  13.987  -7.980  13.307
  460    HZ3  TRP  69           3HZ      TRP  69  14.998  -4.824  10.576
  461    HH2  TRP  69           HH       TRP  69  14.922  -7.238  11.141
  462    H    ASN  70           H        ASN  70   9.677  -1.228  13.539
  463    HA   ASN  70           HA       ASN  70  10.561   1.514  13.571
  464    HB2  ASN  70           2HB      ASN  70   9.027   0.016  11.878
  465    HB3  ASN  70           1HB      ASN  70   7.793   0.985  12.684
  466   HD21  ASN  70          1HD2      ASN  70  10.970   1.357  11.024
  467   HD22  ASN  70          2HD2      ASN  70  10.629   2.900  10.400
  468    H    GLY  71           H        GLY  71  10.443   2.354  15.679
  469    HA2  GLY  71           2HA      GLY  71   7.688   2.931  16.621
  470    HA3  GLY  71           1HA      GLY  71   8.797   2.163  17.756