*HEADER    HYDROLASE                               22-APR-13   2M7F              
*TITLE     THE C-TERMINAL REGION OF DISINTEGRIN MODULATE ITS 3D CONFORMATION AND 
*TITLE    2 COOPERATE WITH RGD LOOP IN REGULATING INTEGRINS RECOGNITIONS         
*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 MUTANT PROTEIN, RGD MOTIF, C-TERMINAL REGION MUTATION,    
*KEYWDS   2 HYDROLASE                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    W.CHUANG, Y.CHANG                                                     
*REVDAT   1   22-MAY-13 2M7F    0                                                


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  -90.87  40.00 2 
! c32                                                                                           
assign (resid 31 and name c) (resid 32 and name n) (resid 32 and name ca) (resid 32 and name c) 1  -120.55  40.00 2 
! c33                                                                                           
assign (resid 32 and name c) (resid 33 and name n) (resid 33 and name ca) (resid 33 and name c) 1  -109.92  40.00 2 
! E34                                                                                         
assign (resid 33 and name c) (resid 34 and name n) (resid 34 and name ca) (resid 34 and name c) 1  -120.67  30.00 2 
! Q35                                                                   
assign (resid 34 and name c) (resid 35 and name n) (resid 35 and name ca) (resid 35 and name c) 1  90.97  30.00 2 
! c36                                                                                             
assign (resid 35 and name c) (resid 36 and name n) (resid 36 and name ca) (resid 36 and name c) 1  90.71  30.00 2 
! K37                                                                                         
assign (resid 36 and name c) (resid 37 and name n) (resid 37 and name ca) (resid 37 and name c) 1  -120.70  30.00 2 
! F38                                                                                           
assign (resid 37 and name c) (resid 38 and name n) (resid 38 and name ca) (resid 38 and name c) 1  -108.54  30.00 2 
! S39                                                                                           
assign (resid 38 and name c) (resid 39 and name n) (resid 39 and name ca) (resid 39 and name c) 1  -90.63  30.00 2 
! R40                                                                                         
assign (resid 39 and name c) (resid 40 and name n) (resid 40 and name ca) (resid 40 and name c) 1  -90.50  50.00 2 
! A41                                                                                           
assign (resid 40 and name c) (resid 41 and name n) (resid 41 and name ca) (resid 41 and name c) 1  -90.84  20.00 2 
! G42                                                                                           
assign (resid 41 and name c) (resid 42 and name n) (resid 42 and name ca) (resid 42 and name c) 1  120.70  50.00 2 
! K43                                                                                           
assign (resid 42 and name c) (resid 43 and name n) (resid 43 and name ca) (resid 43 and name c) 1  -91.52  40.00 2 
! I44                                                                                           
assign (resid 43 and name c) (resid 44 and name n) (resid 44 and name ca) (resid 44 and name c) 1  -90.65  30.00 2 
! c45                                                                                             
assign (resid 44 and name c) (resid 45 and name n) (resid 45 and name ca) (resid 45 and name c) 1  -90.91  40.00 2 
! R46                                                                                           
assign (resid 45 and name c) (resid 46 and name n) (resid 46 and name ca) (resid 46 and name c) 1  -120.16  40.00 2 
! I47                                                                                    
assign (resid 46 and name c) (resid 47 and name n) (resid 47 and name ca) (resid 47 and name c) 1  -90.28  40.00 2 
! A48                                                                                         
assign (resid 47 and name c) (resid 48 and name n) (resid 48 and name ca) (resid 48 and name c) 1  -86.9  40.00 2 
! R49                                                                                           
assign (resid 48 and name c) (resid 49 and name n) (resid 49 and name ca) (resid 49 and name c) 1  -120.67  50.00 2 
! G50                                                                                           
assign (resid 49 and name c) (resid 50 and name n) (resid 50 and name ca) (resid 50 and name c) 1  94.06  50.00 2 
! D51 
!assign (resid 50 and name c) (resid 51 and name n) (resid 51 and name ca) (resid 51 and name c) 1  -86.49  50.00 2 
! W52                                                                            
assign (resid 51 and name c) (resid 52 and name n) (resid 52 and name ca) (resid 52 and name c) 1  -81.2  50.00 2 
! N53                                                                            
assign (resid 52 and name c) (resid 53 and name n) (resid 53 and name ca) (resid 53 and name c) 1  -97.6  50.00 2 
! D54                                                                            
assign (resid 53 and name c) (resid 54 and name n) (resid 54 and name ca) (resid 54 and name c) 1  -89.91  50.00 2 
! D55                                                                                           
assign (resid 54 and name c) (resid 55 and name n) (resid 55 and name ca) (resid 55 and name c) 1  -106.07  40.00 2 
! R56                                                                            
!assign (resid 55 and name c) (resid 56 and name n) (resid 56 and name ca) (resid 56 and name c) 1  -90.17  40.00 2 
! c57                                                                            
assign (resid 56 and name c) (resid 57 and name n) (resid 57 and name ca) (resid 57 and name c) 1  -90.07  40.00 2 
! T58                                                                                           
assign (resid 57 and name c) (resid 58 and name n) (resid 58 and name ca) (resid 58 and name c) 1  -90.56  30.00 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  -105.7  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  -97.2  40.00 2 
! G68                                                                                         
assign (resid 67 and name c) (resid 68 and name n) (resid 68 and name ca) (resid 68 and name c) 1  -96.8  40.00 2 
! L69                                                                                                 
assign (resid 68 and name c) (resid 69 and name n) (resid 69 and name ca) (resid 69 and name c) 1  -85.2  40.00 2 
! Y70                                                                            
assign (resid 69 and name c) (resid 70 and name n) (resid 70 and name ca) (resid 70 and name c) 1  -124.2  40.00 2 
end
!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 ) 1.80 0.00 1.50
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 ) 1.80 0.00 1.50
assign ( resid 50 and name hn ) ( resid 49 and name ha ) 1.80 0.00 1.50
assign ( resid 52 and name hn ) ( resid 51 and name ha ) 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 67 and name hn ) ( resid 68 and name hn ) 3.20 1.40 1.80
assign ( resid 67 and name hn ) ( resid 68 and name ha2 ) 3.40 1.60 2.60
assign ( resid 67 and name hn ) ( resid 68 and name ha1 ) 4.20 1.80 1.80
assign ( resid 68 and name hn ) ( resid 67 and name hb2 ) 4.20 1.80 1.80
assign ( resid 68 and name hn ) ( resid 67 and name hb1 ) 4.20 1.80 1.80
assign ( resid 69 and name hn ) ( resid 68 and name ha2 ) 2.60 0.80 0.80
assign ( resid 69 and name hn ) ( resid 68 and name ha1 ) 2.60 0.80 0.80
assign ( resid 70 and name hn ) ( resid 69 and name ha ) 2.60 0.80 0.80
assign ( resid 70 and name hn ) ( resid 69 and name hn ) 3.20 1.40 1.80
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 ) 3.20 1.40 1.80
assign ( resid 71 and name hn ) ( resid 70 and name ha ) 3.20 1.40 1.80

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

 assign ( resid 5 and name hn ) ( resid 20 and name hn ) 4.20 1.80 1.80
 assign ( resid 5 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80 
 assign ( resid 6 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80
 assign ( resid 15 and name hn ) ( resid 22 and name hn ) 3.20 1.40 1.80
 assign ( resid 20 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
!assign ( resid 22 and name hn ) ( resid 13 and name hn ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 14 and name hn ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 36 and name hn ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 26 and name hn ) 4.20 1.80 1.80
!assign ( resid 41 and name hn ) ( resid 59 and name hn ) 2.60 0.80 0.80
 assign ( resid 42 and name hn ) ( resid 57 and name hn ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 56 and name hn ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name hn ) 3.20 1.40 1.80
!assign ( resid 45 and name hn ) ( resid 56 and name hn ) 4.20 1.80 1.80
 assign ( resid 48 and name hn ) ( resid 55 and name hn ) 4.20 1.80 1.80
 assign ( resid 48 and name hn ) ( resid 54 and name ha ) 3.20 1.40 1.80
 assign ( resid 48 and name hn ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 48 and name hn ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 53 and name hb1 ) ( resid 48 and name hb* ) 4.50 2.00 2.50
!assign ( resid 53 and name hb2 ) ( resid 48 and name hb* ) 4.50 2.00 2.50  !????
 assign ( resid 55 and name hn ) ( resid 46 and name hn ) 4.20 1.80 1.80
 assign ( resid 7 and name hn ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name hg2 ) 3.20 1.40 1.80 
 assign ( resid 38 and name hn ) ( resid 26 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 65 and name 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* )  4.20 1.80 2.80  !????
 assign ( resid 6 and name ha ) ( resid 28 and name ha1 ) 4.20 1.80 1.80
 assign ( resid 6 and name ha ) ( resid 28 and name ha2 ) 4.50 2.00 2.50
 assign ( resid 6 and name ha ) ( resid 14 and name hb* ) 4.50 2.00 2.50
 assign ( resid 6 and name ha ) ( resid 29 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 6 and name ha ) ( resid 29 and name hg* ) 3.40 1.60 2.60
!assign ( resid 6 and name hb2 ) ( resid 21 and name hd2* ) 4.50 2.00 2.50  !????
!assign ( resid 7 and name ha ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 9 and name ha ) ( resid 16 and name ha ) 3.20 1.40 1.80  
 assign ( resid 9 and name ha ) ( resid 14 and name hb* ) 4.50 2.00 2.50 
 assign ( resid 9 and name ha ) ( resid 16 and name hb* ) 3.40 1.60 2.60 
 assign ( resid 9 and name hb1 ) ( resid 16 and name hb* ) 3.40 1.60 2.60
 assign ( resid 13 and name ha ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 13 and name ha ) ( resid 21 and name hg ) 4.20 1.80 1.80
!assign ( resid 13 and name ha ) ( resid 21 and name hb* ) 4.50 2.00 2.50  !????
!assign ( resid 13 and name ha ) ( resid 21 and name hd1* ) 4.50 2.00 2.50  !????
 assign ( resid 13 and name ha ) ( resid 21 and name hd2* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 13 and name hb1 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80 
!assign ( resid 13 and name hb1 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 13 and name hb1 ) ( resid 29 and name hg* ) 4.50 2.00 2.50
!assign ( resid 13 and name hb1 ) ( resid 21 and name hd1* ) 4.50 2.00 2.50  !????
 assign ( resid 13 and name hb1 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
 assign ( resid 13 and name hb2 ) ( resid 25 and name hb* ) 3.40 1.60 2.60
 assign ( resid 14 and name ha ) ( resid 22 and name ha ) 3.20 1.40 1.80  
 assign ( resid 14 and name ha ) ( resid 21 and name ha ) 3.20 1.40 1.80
 assign ( resid 14 and name ha ) ( resid 6 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 22 and name hb* ) 3.40 1.60 2.60
 assign ( resid 14 and name ha ) ( resid 21 and name hg ) 3.20 1.40 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hb* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hd12 ) 4.20 1.80 1.80  !?????21hd12 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hd2* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 14 and name hb* ) ( resid 21 and name hg ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 14 and name hb1 ) ( resid 21 and name hd22 ) 4.20 1.80 1.80  !?????14hb1.21hd22 4.20 1.80 1.80
 assign ( resid 15 and name hb2 ) ( resid 20 and name hb* ) 3.40 1.60 2.60
 assign ( resid 15 and name hb2 ) ( resid 20 and name hg* ) 4.50 2.00 2.50
!assign ( resid 15 and name hb2 ) ( resid 21 and name hb* ) 4.50 2.00 2.50  !????
 assign ( resid 16 and name ha ) ( resid 9 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 19 and name ha ) ( resid 4 and name hb1 ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 19 and name hb1 ) ( resid 4 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 19 and name ha ) ( resid 14 and name hb* ) 3.40 1.60 2.60  !????!
 assign ( resid 19 and name hb2 ) ( resid 4 and name hb2 ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 20 and name ha ) ( resid 4 and name hb1 ) 4.50 2.00 2.50 
 assign ( resid 20 and name ha ) ( resid 5 and name hb* ) 3.20 1.40 1.80 
 assign ( resid 21 and name ha ) ( resid 15 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 21 and name ha ) ( resid 15 and name hb2 ) 4.20 1.80 1.80 
 assign ( resid 21 and name ha ) ( resid 14 and name hb* ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 25 and name ha ) ( resid 36 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 25 and name ha ) ( resid 36 and name hb2 ) 3.20 1.40 1.80 
 assign ( resid 25 and name ha ) ( resid 37 and name he* ) 3.40 1.60 2.60 
!assign ( resid 26 and name ha ) ( resid 21 and name hb* ) 4.50 2.00 2.50 
 assign ( resid 26 and name ha ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 21 and name ha ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
!assign ( resid 27 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
!assign ( resid 27 and name ha ) ( resid 62 and name hb* ) 3.40 1.60 2.60  !????
 assign ( resid 27 and name ha ) ( resid 21 and name hb* ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 21 and name hd1* ) 3.20 1.40 1.80  
 assign ( resid 27 and name ha ) ( resid 21 and name hd2* ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 assign ( resid 27 and name hb1 ) ( resid 33 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 27 and name hb1 ) ( resid 62 and name hb* ) 2.60 0.80 0.80 
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd12 ) 4.20 1.80 1.80  !?????21hd12 4.20 1.80 1.80
 assign ( resid 27 and name hb1 ) ( resid 21 and name 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  
 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 hb1 ) 3.20 1.40 1.80  !?????31hb1
!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 ) 4.50 2.00 2.00  !?????4.50 2.00 2.00
 assign ( resid 38 and name hd* ) ( resid 26 and name hb2 ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 26 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name he* ) ( resid 26 and name he21 ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 26 and name hg2 ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 26 and name hb1 ) 4.20 1.80 3.20
 assign ( resid 38 and name he* ) ( resid 26 and name hb2 ) 4.20 1.80 3.20
 assign ( resid 38 and name hd* ) ( resid 27 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name hd* ) ( resid 27 and name ha ) 4.50 2.00 2.50 
 assign ( resid 38 and name hd* ) ( resid 27 and name hb1 ) 4.20 1.80 3.20
!assign ( resid 38 and name hd* ) ( resid 27 and name hb2 ) 4.20 1.80 3.20  !????
 assign ( resid 38 and name he* ) ( resid 27 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name he* ) ( resid 27 and name hb1 ) 3.40 1.60 1.80
 assign ( resid 38 and name hd* ) ( resid 33 and name ha ) 4.20 1.80 3.20
!assign ( resid 38 and name hd* ) ( resid 33 and name hb2 ) 5.00 2.50 3.40  !????
 assign ( resid 38 and name he* ) ( resid 33 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 60 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name hd* ) ( resid 60 and name ha ) 3.40 1.60 1.80 
 assign ( resid 38 and name he* ) ( resid 60 and name hn ) 4.50 2.00 2.50
 assign ( resid 38 and name he* ) ( resid 60 and name ha ) 3.40 1.60 1.80
 assign ( resid 38 and name he* ) ( resid 61 and name hn ) 4.50 2.00 2.50 
 assign ( resid 38 and name hd* ) ( resid 61 and name ha ) 4.50 2.00 2.50
 assign ( resid 38 and name 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 68 and name hn ) 4.50 2.00 2.50
 assign ( resid 52 and name he1 ) ( resid 70 and name hd* ) 4.50 2.00 2.50
 assign ( resid 52 and name hd1 ) ( resid 69 and name hd2* ) 4.50 2.00 2.50
 assign ( resid 52 and name hd1 ) ( resid 69 and name hd1* ) 4.50 2.00 2.50
 assign ( resid 56 and name hn ) ( resid 67 and name hd22 ) 3.40 1.60 2.60
 assign ( resid 56 and name hn ) ( resid 67 and name hd21 ) 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 65 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 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 67 and name hd21 ) ( resid 55 and name ha ) 4.50 2.00 2.50
 assign ( resid 67 and name hd22 ) ( resid 56 and name hg* ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 67 and name hd21 ) ( resid 56 and name hg* ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 68 and name hn ) ( resid 55 and name hn ) 4.50 2.00 2.50
 assign ( resid 68 and name hn ) ( resid 55 and name ha ) 4.20 1.80 1.80
 assign ( resid 68 and name hn ) ( resid 55 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 68 and name ha2 ) ( resid 55 and name ha ) 4.20 1.80 1.80
 assign ( resid 68 and name ha1 ) ( resid 55 and name ha ) 4.50 2.00 2.50
 assign ( resid 69 and name hd2* ) ( resid 52 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 69 and name hd1* ) ( resid 52 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 69 and name hd2* ) ( resid 52 and name he3 ) 4.50 2.00 2.50  
 assign ( resid 69 and name hd1* ) ( resid 52 and name he3 ) 4.50 2.00 2.50
 assign ( resid 70 and name he* ) ( resid 49 and name hb2 ) 4.50 2.00 2.50
 assign ( resid 70 and name he* ) ( resid 49 and name hg* ) 4.50 2.00 3.00
!assign ( resid 70 and name he* ) ( resid 49 and name hn ) 4.50 2.00 2.50  !????    
 assign ( resid 70 and name he* ) ( resid 52 and name hd1 ) 4.50 2.00 2.50
 assign ( resid 70 and name he* ) ( resid 52 and name he3 ) 4.50 2.00 2.50
 



!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* ) 4.50 2.00 2.50  !????!?????4.50 2.00 2.50
 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 ) 1.80 0.00 4.20  
 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* ) 3.20 1.40 1.80  !?????3.20 1.40 1.80
 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 ) 4.50 2.00 2.20  !????
 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* ) 4.50 2.00 2.20  !????
 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 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 ) 4.50 2.00 2.50   
 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 ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 assign ( resid 52 and name hz2 ) ( resid 49 and name ha ) 4.50 2.00 2.50  !?????4.50 2.00 2.50
 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 ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb2 ) 4.20 1.80 1.80  !?????4.20 1.80 1.80
 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 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  !????
 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 hd1 ) ( 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 65 and name hd2 ) ( resid 67 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 66 and name hn ) ( resid 68 and name hn ) 4.50 2.00 2.50
!assign ( resid 66 and name hn ) ( resid 68 and name ha2 ) 4.20 1.80 1.80  !????
 assign ( resid 66 and name hd* ) ( resid 68 and name ha2 ) 4.50 2.00 2.50
 assign ( resid 67 and name hd21 ) ( resid 65 and name hg2 ) 4.50 2.00 2.50
 assign ( resid 67 and name hd21 ) ( resid 65 and name hg1 ) 4.50 2.00 2.50
 assign ( resid 68 and name hn ) ( resid 69 and name hn ) 3.20 1.40 1.80
 assign ( resid 69 and name hd2* ) ( resid 70 and name he* ) 4.50 2.00 3.00
 assign ( resid 69 and name hd1* ) ( resid 70 and name he* ) 4.50 2.00 3.00
 assign ( resid 69 and name hg ) ( resid 70 and name he* ) 4.50 2.00 3.00
 assign ( resid 69 and name hd2* ) ( resid 70 and name hd* ) 4.50 2.00 3.00
 assign ( resid 69 and name hd1* ) ( resid 70 and name hd* ) 4.50 2.00 3.00
 assign ( resid 69 and name hg ) ( resid 70 and name hd* ) 4.50 2.00 3.00
!assign ( resid 70 and name he* ) ( resid 66 and name hb2 ) 4.50 2.00 2.50 !????
!assign ( resid 70 and name he* ) ( resid 66 and name hb1 ) 4.50 2.00 2.50 !????
 assign ( resid 70 and name hn ) ( resid 69 and name hg ) 3.20 1.40 1.80
 assign ( resid 70 and name hn ) ( resid 69 and name hb* ) 3.20 1.40 1.80
 assign ( resid 70 and name hn ) ( resid 69 and name hd2* ) 4.50 2.00 2.50
 assign ( resid 70 and name hn ) ( resid 69 and name hd1* ) 4.50 2.00 2.50
 assign ( resid 71 and name ha2 ) ( resid 70 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 71 and name ha2 ) ( resid 70 and name ha ) 4.20 1.80 1.80
 assign ( resid 71 and name hn ) ( resid 70 and name hd* ) 4.50 2.00 2.50



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

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

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

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

! intra-residue NOEs

  assign ( resid 24 and name hn ) ( resid 24 and name ha2 ) 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 68 and name hn ) ( resid 68 and name ha2 ) 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 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 hn ) ( resid 68 and name ha1 ) 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
  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           HT1      GLY   1 -13.217 -10.298  -2.374
    2    HA2  GLY   1           HA1      GLY   1 -12.950 -11.977   0.051
    3    HA3  GLY   1           HA2      GLY   1 -11.906 -10.655  -0.472
    4    H    LYS   2           H        LYS   2 -12.205  -9.057   1.024
    5    HA   LYS   2           HA       LYS   2 -14.576  -8.610   2.528
    6    HB2  LYS   2           HB2      LYS   2 -12.083  -7.097   1.959
    7    HB3  LYS   2           HB1      LYS   2 -13.461  -6.142   2.508
    8    HG2  LYS   2           HG2      LYS   2 -13.288  -8.538   4.089
    9    HG3  LYS   2           HG1      LYS   2 -11.722  -7.727   4.091
   10    HD2  LYS   2           HD2      LYS   2 -13.487  -5.622   4.380
   11    HD3  LYS   2           HD1      LYS   2 -14.252  -6.899   5.327
   12    HE2  LYS   2           HE2      LYS   2 -11.478  -5.744   5.655
   13    HE3  LYS   2           HE1      LYS   2 -12.780  -5.802   6.842
   14    HZ1  LYS   2           HZ1      LYS   2 -10.825  -7.782   6.198
   15    HZ2  LYS   2           HZ2      LYS   2 -12.403  -8.407   6.129
   16    HZ3  LYS   2           HZ3      LYS   2 -11.840  -7.669   7.551
   17    H    GLU   3           H        GLU   3 -15.333  -5.980   2.229
   18    HA   GLU   3           HA       GLU   3 -16.210  -5.740  -0.613
   19    HB2  GLU   3           HB2      GLU   3 -18.490  -5.244   0.087
   20    HB3  GLU   3           HB1      GLU   3 -18.019  -6.809   0.751
   21    HG2  GLU   3           HG2      GLU   3 -17.199  -4.859   2.635
   22    HG3  GLU   3           HG1      GLU   3 -18.845  -4.439   2.159
   23    H    CYS   4           H        CYS   4 -14.467  -4.339   1.678
   24    HA   CYS   4           HA       CYS   4 -15.311  -1.585   0.859
   25    HB2  CYS   4           HB2      CYS   4 -14.468  -2.569   3.599
   26    HB3  CYS   4           HB1      CYS   4 -14.494  -0.863   3.166
   27    H    ASP   5           H        ASP   5 -13.693  -1.373  -0.682
   28    HA   ASP   5           HA       ASP   5 -10.958  -2.197  -0.232
   29    HB2  ASP   5           HB2      ASP   5 -12.172  -1.893  -2.482
   30    HB3  ASP   5           HB1      ASP   5 -11.874  -0.167  -2.275
   31    H    CYS   6           H        CYS   6 -12.762   0.771   0.319
   32    HA   CYS   6           HA       CYS   6 -10.205   2.060   1.188
   33    HB2  CYS   6           HB2      CYS   6 -11.191   4.197   0.709
   34    HB3  CYS   6           HB1      CYS   6 -11.498   3.171  -0.691
   35    H    SER   7           H        SER   7 -10.637   3.727   3.011
   36    HA   SER   7           HA       SER   7 -12.439   2.424   5.007
   37    HB2  SER   7           HB2      SER   7  -9.882   2.613   5.401
   38    HB3  SER   7           HB1      SER   7 -10.193   4.324   5.678
   39    HG   SER   7           HG       SER   7 -10.464   2.363   7.386
   40    H    SER   8           H        SER   8 -11.894   5.294   3.191
   41    HA   SER   8           HA       SER   8 -13.569   6.906   5.039
   42    HB2  SER   8           HB2      SER   8 -12.564   8.045   2.480
   43    HB3  SER   8           HB1      SER   8 -12.650   8.780   4.079
   44    HG   SER   8           HG       SER   8 -10.733   8.014   4.529
   45    HA   PRO   9           HA       PRO   9 -16.960   5.842   2.315
   46    HB2  PRO   9           HB2      PRO   9 -18.894   7.015   3.881
   47    HB3  PRO   9           HB1      PRO   9 -18.218   5.408   4.199
   48    HG2  PRO   9           HG2      PRO   9 -17.701   7.976   5.625
   49    HG3  PRO   9           HG1      PRO   9 -17.589   6.314   6.228
   50    HD2  PRO   9           HD2      PRO   9 -15.409   7.943   5.455
   51    HD3  PRO   9           HD1      PRO   9 -15.354   6.189   5.733
   52    H    GLU  10           H        GLU  10 -15.558   8.808   2.975
   53    HA   GLU  10           HA       GLU  10 -17.529  10.305   1.308
   54    HB2  GLU  10           HB2      GLU  10 -16.474  11.064   3.680
   55    HB3  GLU  10           HB1      GLU  10 -15.252  11.725   2.594
   56    HG2  GLU  10           HG2      GLU  10 -16.821  13.093   1.470
   57    HG3  GLU  10           HG1      GLU  10 -18.193  12.184   2.101
   58    H    ASN  11           H        ASN  11 -14.952   8.441   0.817
   59    HA   ASN  11           HA       ASN  11 -13.348  10.211  -0.879
   60    HB2  ASN  11           HB2      ASN  11 -12.769   7.936   0.490
   61    HB3  ASN  11           HB1      ASN  11 -13.056   7.271  -1.116
   62   HD21  ASN  11          1HD2      ASN  11 -10.718   6.812  -1.326
   63   HD22  ASN  11          2HD2      ASN  11  -9.623   8.068  -1.644
   64    HA   PRO  12           HA       PRO  12 -15.953   9.433  -4.393
   65    HB2  PRO  12           HB2      PRO  12 -14.383  10.762  -6.216
   66    HB3  PRO  12           HB1      PRO  12 -15.454  11.580  -5.066
   67    HG2  PRO  12           HG2      PRO  12 -12.483  11.340  -5.018
   68    HG3  PRO  12           HG1      PRO  12 -13.519  12.595  -4.318
   69    HD2  PRO  12           HD2      PRO  12 -12.297  10.468  -2.901
   70    HD3  PRO  12           HD1      PRO  12 -13.581  11.532  -2.288
   71    H    CYS  13           H        CYS  13 -12.586   8.515  -4.159
   72    HA   CYS  13           HA       CYS  13 -12.449   7.113  -6.680
   73    HB2  CYS  13           HB2      CYS  13 -10.535   7.947  -5.061
   74    HB3  CYS  13           HB1      CYS  13 -10.730   6.347  -4.343
   75    H    CYS  14           H        CYS  14 -13.682   6.295  -3.519
   76    HA   CYS  14           HA       CYS  14 -14.130   3.514  -4.527
   77    HB2  CYS  14           HB2      CYS  14 -13.902   2.668  -2.289
   78    HB3  CYS  14           HB1      CYS  14 -12.503   3.697  -2.596
   79    H    ASP  15           H        ASP  15 -16.229   2.959  -4.692
   80    HA   ASP  15           HA       ASP  15 -18.374   4.742  -4.235
   81    HB2  ASP  15           HB2      ASP  15 -18.231   2.452  -5.549
   82    HB3  ASP  15           HB1      ASP  15 -18.805   1.785  -4.017
   83    H    ALA  16           H        ALA  16 -19.373   5.354  -2.380
   84    HA   ALA  16           HA       ALA  16 -18.550   4.369   0.194
   85    HB1  ALA  16           HB1      ALA  16 -19.416   6.468   0.487
   86    HB2  ALA  16           HB2      ALA  16 -20.925   5.586   0.719
   87    HB3  ALA  16           HB3      ALA  16 -20.550   6.294  -0.852
   88    H    ALA  17           H        ALA  17 -21.168   3.547  -2.008
   89    HA   ALA  17           HA       ALA  17 -22.779   2.046  -0.187
   90    HB1  ALA  17           HB1      ALA  17 -23.902   1.236  -2.085
   91    HB2  ALA  17           HB2      ALA  17 -22.442   1.256  -3.072
   92    HB3  ALA  17           HB3      ALA  17 -23.246   2.769  -2.658
   93    H    THR  18           H        THR  18 -20.479   0.791  -2.630
   94    HA   THR  18           HA       THR  18 -20.209  -1.678  -1.005
   95    HB   THR  18           HB       THR  18 -20.618  -1.939  -3.425
   96    HG1  THR  18           HG1      THR  18 -18.391  -2.998  -3.792
   97   HG21  THR  18          3HG2      THR  18 -18.032  -0.380  -3.669
   98   HG22  THR  18          1HG2      THR  18 -19.625   0.119  -4.240
   99   HG23  THR  18          2HG2      THR  18 -18.802  -1.242  -5.002
  100    H    CYS  19           H        CYS  19 -18.951   1.139  -0.589
  101    HA   CYS  19           HA       CYS  19 -16.802   2.059  -0.156
  102    HB2  CYS  19           HB2      CYS  19 -15.599   0.333   1.491
  103    HB3  CYS  19           HB1      CYS  19 -16.984   1.283   1.996
  104    H    LYS  20           H        LYS  20 -16.788   0.562  -2.647
  105    HA   LYS  20           HA       LYS  20 -13.952  -0.400  -2.548
  106    HB2  LYS  20           HB2      LYS  20 -16.300  -1.538  -4.074
  107    HB3  LYS  20           HB1      LYS  20 -14.628  -1.879  -4.523
  108    HG2  LYS  20           HG2      LYS  20 -14.939  -2.261  -1.689
  109    HG3  LYS  20           HG1      LYS  20 -16.178  -3.180  -2.539
  110    HD2  LYS  20           HD2      LYS  20 -14.610  -4.437  -3.742
  111    HD3  LYS  20           HD1      LYS  20 -13.328  -3.251  -3.497
  112    HE2  LYS  20           HE2      LYS  20 -12.728  -4.142  -1.501
  113    HE3  LYS  20           HE1      LYS  20 -14.403  -4.362  -0.996
  114    HZ1  LYS  20           HZ1      LYS  20 -12.807  -6.123  -2.767
  115    HZ2  LYS  20           HZ2      LYS  20 -14.488  -6.274  -2.574
  116    HZ3  LYS  20           HZ3      LYS  20 -13.453  -6.501  -1.245
  117    H    LEU  21           H        LEU  21 -12.957  -0.309  -4.841
  118    HA   LEU  21           HA       LEU  21 -13.093   2.383  -5.793
  119    HB2  LEU  21           HB2      LEU  21 -11.904  -0.156  -6.915
  120    HB3  LEU  21           HB1      LEU  21 -11.825   1.366  -7.804
  121    HG   LEU  21           HG       LEU  21 -11.069   1.624  -4.977
  122   HD11  LEU  21          1HD1      LEU  21 -10.229  -0.726  -5.886
  123   HD12  LEU  21          2HD1      LEU  21  -9.164   0.305  -4.929
  124   HD13  LEU  21          3HD1      LEU  21  -9.016   0.274  -6.685
  125   HD21  LEU  21          3HD2      LEU  21  -9.899   3.343  -5.860
  126   HD22  LEU  21          1HD2      LEU  21 -10.682   2.962  -7.394
  127   HD23  LEU  21          2HD2      LEU  21  -9.094   2.287  -7.020
  128    H    ARG  22           H        ARG  22 -14.767   3.252  -6.896
  129    HA   ARG  22           HA       ARG  22 -16.736   1.572  -8.224
  130    HB2  ARG  22           HB2      ARG  22 -17.789   3.432  -7.374
  131    HB3  ARG  22           HB1      ARG  22 -16.409   4.483  -7.656
  132    HG2  ARG  22           HG2      ARG  22 -16.935   4.724  -9.968
  133    HG3  ARG  22           HG1      ARG  22 -18.064   3.368  -9.928
  134    HD2  ARG  22           HD2      ARG  22 -19.140   5.673  -9.912
  135    HD3  ARG  22           HD1      ARG  22 -19.634   4.601  -8.604
  136    HE   ARG  22           HE       ARG  22 -18.275   5.915  -7.074
  137   HH11  ARG  22          1HH1      ARG  22 -16.948   6.715  -9.990
  138   HH12  ARG  22          2HH1      ARG  22 -16.991   8.432  -9.767
  139   HH21  ARG  22          1HH2      ARG  22 -18.955   8.280  -6.915
  140   HH22  ARG  22          2HH2      ARG  22 -18.126   9.318  -8.027
  141    HA   PRO  23           HA       PRO  23 -14.835   3.482 -12.171
  142    HB2  PRO  23           HB2      PRO  23 -12.500   4.907 -11.895
  143    HB3  PRO  23           HB1      PRO  23 -14.111   5.642 -11.824
  144    HG2  PRO  23           HG2      PRO  23 -12.211   5.068  -9.598
  145    HG3  PRO  23           HG1      PRO  23 -13.469   6.310  -9.708
  146    HD2  PRO  23           HD2      PRO  23 -13.670   3.886  -8.276
  147    HD3  PRO  23           HD1      PRO  23 -15.016   4.965  -8.693
  148    H    GLY  24           H        GLY  24 -12.246   3.401 -13.173
  149    HA2  GLY  24           HA2      GLY  24 -11.483   0.617 -12.551
  150    HA3  GLY  24           HA1      GLY  24 -10.886   1.573 -13.907
  151    H    ALA  25           H        ALA  25 -10.929   2.940 -10.702
  152    HA   ALA  25           HA       ALA  25  -8.069   3.403 -10.788
  153    HB1  ALA  25           HB1      ALA  25  -9.130   5.101  -9.625
  154    HB2  ALA  25           HB2      ALA  25  -8.649   4.074  -8.273
  155    HB3  ALA  25           HB3      ALA  25 -10.301   4.010  -8.887
  156    H    GLN  26           H        GLN  26  -6.460   2.148  -9.900
  157    HA   GLN  26           HA       GLN  26  -7.078  -0.509  -8.960
  158    HB2  GLN  26           HB2      GLN  26  -4.469   0.999  -8.664
  159    HB3  GLN  26           HB1      GLN  26  -4.688  -0.746  -8.669
  160    HG2  GLN  26           HG2      GLN  26  -5.863   0.415 -11.042
  161    HG3  GLN  26           HG1      GLN  26  -4.174   0.903 -10.886
  162   HE21  GLN  26          1HE2      GLN  26  -5.924  -1.401 -12.385
  163   HE22  GLN  26          2HE2      GLN  26  -4.861  -2.720 -12.287
  164    H    CYS  27           H        CYS  27  -6.946   2.528  -7.387
  165    HA   CYS  27           HA       CYS  27  -7.337   1.214  -4.781
  166    HB2  CYS  27           HB2      CYS  27  -5.502   2.544  -3.735
  167    HB3  CYS  27           HB1      CYS  27  -4.917   1.339  -4.883
  168    H    GLY  28           H        GLY  28  -8.408   2.559  -3.323
  169    HA2  GLY  28           HA2      GLY  28  -9.353   5.129  -4.462
  170    HA3  GLY  28           HA1      GLY  28 -10.171   4.227  -3.190
  171    H    GLU  29           H        GLU  29  -7.960   3.675  -1.553
  172    HA   GLU  29           HA       GLU  29  -6.711   6.273  -0.911
  173    HB2  GLU  29           HB2      GLU  29  -8.881   6.319   0.274
  174    HB3  GLU  29           HB1      GLU  29  -8.479   4.791   1.056
  175    HG2  GLU  29           HG2      GLU  29  -6.466   6.967   1.279
  176    HG3  GLU  29           HG1      GLU  29  -7.962   7.182   2.187
  177    H    GLY  30           H        GLY  30  -4.756   5.994   0.246
  178    HA2  GLY  30           HA2      GLY  30  -3.896   3.943   1.855
  179    HA3  GLY  30           HA1      GLY  30  -3.699   3.262   0.241
  180    H    LEU  31           H        LEU  31  -1.391   3.429   1.467
  181    HA   LEU  31           HA       LEU  31  -0.122   6.059   1.120
  182    HB2  LEU  31           HB2      LEU  31   0.766   3.368   2.125
  183    HB3  LEU  31           HB1      LEU  31   1.970   4.583   1.695
  184    HG   LEU  31           HG       LEU  31  -0.340   5.238   3.522
  185   HD11  LEU  31          1HD1      LEU  31   0.976   3.293   4.426
  186   HD12  LEU  31          2HD1      LEU  31   1.075   4.740   5.429
  187   HD13  LEU  31          3HD1      LEU  31   2.417   4.307   4.371
  188   HD21  LEU  31          3HD2      LEU  31   2.282   6.467   2.725
  189   HD22  LEU  31          1HD2      LEU  31   1.610   6.831   4.314
  190   HD23  LEU  31          2HD2      LEU  31   0.693   7.223   2.858
  191    H    CYS  32           H        CYS  32   0.138   2.818  -0.362
  192    HA   CYS  32           HA       CYS  32   1.986   3.807  -2.410
  193    HB2  CYS  32           HB2      CYS  32   0.495   1.204  -2.623
  194    HB3  CYS  32           HB1      CYS  32   2.137   1.589  -3.137
  195    H    CYS  33           H        CYS  33  -1.131   4.494  -1.989
  196    HA   CYS  33           HA       CYS  33  -2.035   3.921  -4.739
  197    HB2  CYS  33           HB2      CYS  33  -3.650   3.642  -2.916
  198    HB3  CYS  33           HB1      CYS  33  -3.439   5.326  -2.448
  199    H    GLU  34           H        GLU  34  -1.424   5.297  -6.312
  200    HA   GLU  34           HA       GLU  34  -1.331   8.219  -5.673
  201    HB2  GLU  34           HB2      GLU  34   0.946   7.210  -6.033
  202    HB3  GLU  34           HB1      GLU  34   0.439   6.762  -7.661
  203    HG2  GLU  34           HG2      GLU  34  -0.181   9.260  -7.941
  204    HG3  GLU  34           HG1      GLU  34   0.814   9.524  -6.509
  205    H    GLN  35           H        GLN  35  -2.720   9.389  -6.940
  206    HA   GLN  35           HA       GLN  35  -4.215   9.893  -8.684
  207    HB2  GLN  35           HB2      GLN  35  -2.182   8.140 -10.055
  208    HB3  GLN  35           HB1      GLN  35  -3.617   8.686 -10.923
  209    HG2  GLN  35           HG2      GLN  35  -1.821  10.604  -9.431
  210    HG3  GLN  35           HG1      GLN  35  -1.534  10.173 -11.116
  211   HE21  GLN  35          1HE2      GLN  35  -3.534  10.500 -12.605
  212   HE22  GLN  35          2HE2      GLN  35  -4.518  11.846 -12.283
  213    H    CYS  36           H        CYS  36  -4.544   7.543  -6.840
  214    HA   CYS  36           HA       CYS  36  -6.123   5.848  -6.519
  215    HB2  CYS  36           HB2      CYS  36  -7.223   7.288  -8.909
  216    HB3  CYS  36           HB1      CYS  36  -7.903   5.746  -8.441
  217    H    LYS  37           H        LYS  37  -3.668   5.186  -7.743
  218    HA   LYS  37           HA       LYS  37  -4.495   2.766  -9.221
  219    HB2  LYS  37           HB2      LYS  37  -2.707   4.943 -10.285
  220    HB3  LYS  37           HB1      LYS  37  -2.451   3.269 -10.780
  221    HG2  LYS  37           HG2      LYS  37  -4.367   3.202 -12.019
  222    HG3  LYS  37           HG1      LYS  37  -5.258   4.209 -10.877
  223    HD2  LYS  37           HD2      LYS  37  -4.609   6.171 -11.884
  224    HD3  LYS  37           HD1      LYS  37  -3.046   5.520 -12.380
  225    HE2  LYS  37           HE2      LYS  37  -5.681   4.686 -13.621
  226    HE3  LYS  37           HE1      LYS  37  -4.635   5.937 -14.292
  227    HZ1  LYS  37           HZ1      LYS  37  -4.393   3.115 -14.472
  228    HZ2  LYS  37           HZ2      LYS  37  -2.992   3.789 -13.784
  229    HZ3  LYS  37           HZ3      LYS  37  -3.536   4.320 -15.305
  230    H    PHE  38           H        PHE  38  -2.522   1.262  -9.395
  231    HA   PHE  38           HA       PHE  38  -1.177   1.231  -6.800
  232    HB2  PHE  38           HB2      PHE  38  -1.042  -0.543  -9.244
  233    HB3  PHE  38           HB1      PHE  38  -0.020  -0.805  -7.835
  234    HD1  PHE  38           HD2      PHE  38  -2.834   0.585  -6.429
  235    HD2  PHE  38           HD1      PHE  38  -1.607  -3.029  -8.404
  236    HE1  PHE  38           HE2      PHE  38  -4.667  -0.648  -5.311
  237    HE2  PHE  38           HE1      PHE  38  -3.444  -4.260  -7.285
  238    HZ   PHE  38           HZ       PHE  38  -4.974  -3.071  -5.739
  239    H    SER  39           H        SER  39   0.534   2.553  -6.475
  240    HA   SER  39           HA       SER  39   2.026   3.818  -8.540
  241    HB2  SER  39           HB2      SER  39   3.089   3.228  -5.773
  242    HB3  SER  39           HB1      SER  39   3.469   4.601  -6.808
  243    HG   SER  39           HG       SER  39   1.764   4.693  -4.977
  244    H    ARG  40           H        ARG  40   4.599   2.744  -6.862
  245    HA   ARG  40           HA       ARG  40   4.927   0.286  -8.516
  246    HB2  ARG  40           HB2      ARG  40   6.812   2.647  -8.294
  247    HB3  ARG  40           HB1      ARG  40   7.337   1.064  -8.872
  248    HG2  ARG  40           HG2      ARG  40   4.929   2.418 -10.078
  249    HG3  ARG  40           HG1      ARG  40   6.557   2.818 -10.630
  250    HD2  ARG  40           HD2      ARG  40   6.885   0.259 -10.861
  251    HD3  ARG  40           HD1      ARG  40   5.128   0.167 -10.768
  252    HE   ARG  40           HE       ARG  40   6.512   1.803 -12.855
  253   HH11  ARG  40          1HH1      ARG  40   5.114  -1.178 -12.455
  254   HH12  ARG  40          2HH1      ARG  40   3.900  -0.992 -13.677
  255   HH21  ARG  40          1HH2      ARG  40   4.518   2.389 -14.145
  256   HH22  ARG  40          2HH2      ARG  40   3.563   1.029 -14.633
  257    H    ALA  41           H        ALA  41   6.635  -1.150  -7.655
  258    HA   ALA  41           HA       ALA  41   6.543  -1.309  -4.765
  259    HB1  ALA  41           HB1      ALA  41   8.654  -2.857  -6.132
  260    HB2  ALA  41           HB2      ALA  41   7.033  -3.118  -6.777
  261    HB3  ALA  41           HB3      ALA  41   7.361  -3.413  -5.069
  262    H    GLY  42           H        GLY  42   8.421  -1.292  -3.373
  263    HA2  GLY  42           HA2      GLY  42  10.377  -0.337  -2.552
  264    HA3  GLY  42           HA1      GLY  42  10.923  -0.094  -4.201
  265    H    LYS  43           H        LYS  43   7.799   1.062  -3.293
  266    HA   LYS  43           HA       LYS  43   8.673   3.817  -3.845
  267    HB2  LYS  43           HB2      LYS  43   6.570   3.911  -4.656
  268    HB3  LYS  43           HB1      LYS  43   6.196   2.338  -3.971
  269    HG2  LYS  43           HG2      LYS  43   4.622   3.772  -2.940
  270    HG3  LYS  43           HG1      LYS  43   5.880   3.643  -1.725
  271    HD2  LYS  43           HD2      LYS  43   6.640   5.796  -2.083
  272    HD3  LYS  43           HD1      LYS  43   6.131   5.806  -3.770
  273    HE2  LYS  43           HE2      LYS  43   3.713   5.666  -2.758
  274    HE3  LYS  43           HE1      LYS  43   4.489   6.284  -1.299
  275    HZ1  LYS  43           HZ1      LYS  43   5.440   8.076  -2.726
  276    HZ2  LYS  43           HZ2      LYS  43   3.750   8.136  -2.548
  277    HZ3  LYS  43           HZ3      LYS  43   4.436   7.541  -3.984
  278    H    ILE  44           H        ILE  44   9.013   5.371  -2.292
  279    HA   ILE  44           HA       ILE  44   9.249   4.559   0.459
  280    HB   ILE  44           HB       ILE  44   9.561   7.114  -1.057
  281   HG12  ILE  44          2HG1      ILE  44  11.440   5.567  -0.659
  282   HG13  ILE  44          1HG1      ILE  44  11.701   7.089   0.198
  283   HG21  ILE  44          1HG2      ILE  44   9.071   6.925   1.927
  284   HG22  ILE  44          2HG2      ILE  44   8.216   7.939   0.765
  285   HG23  ILE  44          3HG2      ILE  44   9.896   8.289   1.174
  286   HD11  ILE  44          3HD1      ILE  44  12.040   5.756   2.014
  287   HD12  ILE  44          1HD1      ILE  44  11.205   4.386   1.280
  288   HD13  ILE  44          2HD1      ILE  44  10.279   5.671   2.056
  289    H    CYS  45           H        CYS  45   7.567   4.170   1.737
  290    HA   CYS  45           HA       CYS  45   5.083   5.773   1.348
  291    HB2  CYS  45           HB2      CYS  45   4.179   3.724   2.815
  292    HB3  CYS  45           HB1      CYS  45   4.251   3.658   1.061
  293    H    ARG  46           H        ARG  46   7.619   4.907   3.456
  294    HA   ARG  46           HA       ARG  46   6.661   6.821   5.447
  295    HB2  ARG  46           HB2      ARG  46   6.461   3.886   5.864
  296    HB3  ARG  46           HB1      ARG  46   7.112   4.822   7.209
  297    HG2  ARG  46           HG2      ARG  46   5.120   6.358   6.997
  298    HG3  ARG  46           HG1      ARG  46   4.447   5.223   5.825
  299    HD2  ARG  46           HD2      ARG  46   5.111   3.530   7.864
  300    HD3  ARG  46           HD1      ARG  46   4.673   4.983   8.763
  301    HE   ARG  46           HE       ARG  46   2.822   3.795   6.735
  302   HH11  ARG  46          1HH1      ARG  46   3.430   3.764  10.014
  303   HH12  ARG  46          2HH1      ARG  46   1.866   4.327  10.500
  304   HH21  ARG  46          1HH2      ARG  46   0.845   5.091   7.275
  305   HH22  ARG  46          2HH2      ARG  46   0.402   5.076   8.950
  306    H    ILE  47           H        ILE  47   8.300   6.363   7.516
  307    HA   ILE  47           HA       ILE  47  11.014   6.289   6.264
  308    HB   ILE  47           HB       ILE  47  10.819   7.670   8.848
  309   HG12  ILE  47          2HG1      ILE  47   9.871   9.735   7.408
  310   HG13  ILE  47          1HG1      ILE  47   9.006   8.429   6.598
  311   HG21  ILE  47          1HG2      ILE  47  11.784   8.567   6.120
  312   HG22  ILE  47          2HG2      ILE  47  12.765   7.678   7.285
  313   HG23  ILE  47          3HG2      ILE  47  12.191   9.299   7.672
  314   HD11  ILE  47          3HD1      ILE  47   9.050   8.485   9.595
  315   HD12  ILE  47          1HD1      ILE  47   7.816   7.849   8.509
  316   HD13  ILE  47          2HD1      ILE  47   7.973   9.589   8.740
  317    H    ALA  48           H        ALA  48  12.737   5.748   8.009
  318    HA   ALA  48           HA       ALA  48  11.768   3.341   9.449
  319    HB1  ALA  48           HB1      ALA  48  13.774   3.246   7.908
  320    HB2  ALA  48           HB2      ALA  48  14.081   2.669   9.546
  321    HB3  ALA  48           HB3      ALA  48  14.623   4.276   9.062
  322    H    ARG  49           H        ARG  49  11.527   3.370  11.636
  323    HA   ARG  49           HA       ARG  49  12.105   5.808  13.122
  324    HB2  ARG  49           HB2      ARG  49  10.967   3.107  13.820
  325    HB3  ARG  49           HB1      ARG  49  11.413   4.242  15.094
  326    HG2  ARG  49           HG2      ARG  49   9.587   5.507  14.717
  327    HG3  ARG  49           HG1      ARG  49   9.913   5.565  12.984
  328    HD2  ARG  49           HD2      ARG  49   7.759   4.465  13.394
  329    HD3  ARG  49           HD1      ARG  49   8.915   3.306  12.738
  330    HE   ARG  49           HE       ARG  49   9.259   2.582  15.170
  331   HH11  ARG  49          1HH1      ARG  49   6.696   1.527  14.077
  332   HH12  ARG  49          2HH1      ARG  49   5.552   2.005  15.287
  333   HH21  ARG  49          1HH2      ARG  49   7.660   4.342  16.738
  334   HH22  ARG  49          2HH2      ARG  49   6.098   3.598  16.793
  335    H    GLY  50           H        GLY  50  14.453   5.829  12.696
  336    HA2  GLY  50           HA2      GLY  50  16.193   5.399  14.665
  337    HA3  GLY  50           HA1      GLY  50  16.022   3.739  14.097
  338    H    ASP  51           H        ASP  51  17.140   3.133  12.255
  339    HA   ASP  51           HA       ASP  51  17.968   4.907  10.184
  340    HB2  ASP  51           HB2      ASP  51  19.659   4.864  12.566
  341    HB3  ASP  51           HB1      ASP  51  20.544   4.415  11.108
  342    H    TRP  52           H        TRP  52  16.963   2.704   9.512
  343    HA   TRP  52           HA       TRP  52  19.228   0.850   8.938
  344    HB2  TRP  52           HB2      TRP  52  16.896  -0.728   8.934
  345    HB3  TRP  52           HB1      TRP  52  18.222  -0.799  10.091
  346    HD1  TRP  52           HD       TRP  52  14.787   0.831   9.574
  347    HE1  TRP  52           HE1      TRP  52  13.856   1.519  11.879
  348    HE3  TRP  52           HE3      TRP  52  18.827  -0.234  12.510
  349    HZ2  TRP  52           HZ2      TRP  52  14.714   1.603  14.609
  350    HZ3  TRP  52           HZ3      TRP  52  18.744   0.159  14.955
  351    HH2  TRP  52           HH       TRP  52  16.695   1.078  16.007
  352    H    ASN  53           H        ASN  53  15.851   0.553   8.007
  353    HA   ASN  53           HA       ASN  53  16.624   1.290   5.218
  354    HB2  ASN  53           HB2      ASN  53  15.838  -1.298   6.196
  355    HB3  ASN  53           HB1      ASN  53  14.603  -0.699   5.088
  356   HD21  ASN  53          1HD2      ASN  53  15.470  -2.490   3.618
  357   HD22  ASN  53          2HD2      ASN  53  16.835  -2.151   2.668
  358    H    ASP  54           H        ASP  54  15.099   2.514   4.137
  359    HA   ASP  54           HA       ASP  54  12.959   3.702   5.697
  360    HB2  ASP  54           HB2      ASP  54  13.467   3.868   2.710
  361    HB3  ASP  54           HB1      ASP  54  12.454   4.957   3.659
  362    H    ASP  55           H        ASP  55  10.666   3.782   4.621
  363    HA   ASP  55           HA       ASP  55   9.787   0.993   4.350
  364    HB2  ASP  55           HB2      ASP  55   8.393   3.647   4.612
  365    HB3  ASP  55           HB1      ASP  55   7.493   2.220   4.094
  366    H    ARG  56           H        ARG  56   9.250   0.015   2.454
  367    HA   ARG  56           HA       ARG  56   9.147   1.711  -0.021
  368    HB2  ARG  56           HB2      ARG  56  10.795  -0.619   0.675
  369    HB3  ARG  56           HB1      ARG  56   9.897  -0.849  -0.822
  370    HG2  ARG  56           HG2      ARG  56  11.856   0.201  -1.574
  371    HG3  ARG  56           HG1      ARG  56  10.733   1.543  -1.418
  372    HD2  ARG  56           HD2      ARG  56  13.223   1.515  -0.342
  373    HD3  ARG  56           HD1      ARG  56  11.888   2.490   0.249
  374    HE   ARG  56           HE       ARG  56  11.531   0.810   2.012
  375   HH11  ARG  56          1HH2      ARG  56  12.683  -1.597   0.746
  376   HH12  ARG  56          2HH2      ARG  56  14.228  -1.740   1.517
  377   HH21  ARG  56          1HH1      ARG  56  14.234   1.518   2.701
  378   HH22  ARG  56          2HH1      ARG  56  15.105   0.023   2.621
  379    H    CYS  57           H        CYS  57   7.340   1.404  -1.267
  380    HA   CYS  57           HA       CYS  57   5.227  -0.334  -0.248
  381    HB2  CYS  57           HB2      CYS  57   5.482   1.684  -2.431
  382    HB3  CYS  57           HB1      CYS  57   4.187   0.496  -2.556
  383    H    THR  58           H        THR  58   4.139  -1.938  -1.583
  384    HA   THR  58           HA       THR  58   6.023  -3.727  -2.892
  385    HB   THR  58           HB       THR  58   4.365  -4.883  -1.700
  386    HG1  THR  58           HG1      THR  58   3.112  -5.884  -3.325
  387   HG21  THR  58          3HG2      THR  58   2.518  -2.810  -2.854
  388   HG22  THR  58          1HG2      THR  58   2.772  -3.250  -1.165
  389   HG23  THR  58          2HG2      THR  58   1.878  -4.331  -2.232
  390    H    GLY  59           H        GLY  59   3.756  -1.306  -3.931
  391    HA2  GLY  59           HA2      GLY  59   3.700  -0.348  -6.120
  392    HA3  GLY  59           HA1      GLY  59   4.662  -1.705  -6.707
  393    H    GLN  60           H        GLN  60   2.766  -3.618  -5.315
  394    HA   GLN  60           HA       GLN  60   0.668  -3.547  -7.432
  395    HB2  GLN  60           HB2      GLN  60   1.189  -5.933  -5.683
  396    HB3  GLN  60           HB1      GLN  60   0.597  -5.878  -7.344
  397    HG2  GLN  60           HG2      GLN  60   2.868  -5.003  -8.028
  398    HG3  GLN  60           HG1      GLN  60   3.419  -5.344  -6.388
  399   HE21  GLN  60          1HE2      GLN  60   3.731  -6.665  -9.306
  400   HE22  GLN  60          2HE2      GLN  60   3.623  -8.319  -8.941
  401    H    SER  61           H        SER  61   1.127  -2.933  -4.144
  402    HA   SER  61           HA       SER  61  -1.789  -3.399  -3.622
  403    HB2  SER  61           HB2      SER  61   0.058  -4.684  -2.257
  404    HB3  SER  61           HB1      SER  61   0.226  -3.150  -1.407
  405    HG   SER  61           HG       SER  61  -1.388  -4.779  -0.624
  406    H    ALA  62           H        ALA  62  -2.703  -1.816  -1.996
  407    HA   ALA  62           HA       ALA  62  -1.748   0.902  -2.681
  408    HB1  ALA  62           HB1      ALA  62  -4.191   0.160  -1.054
  409    HB2  ALA  62           HB2      ALA  62  -4.199   0.208  -2.817
  410    HB3  ALA  62           HB3      ALA  62  -3.876   1.678  -1.897
  411    H    ASP  63           H        ASP  63  -2.283  -1.168   0.149
  412    HA   ASP  63           HA       ASP  63  -1.402   0.901   2.018
  413    HB2  ASP  63           HB2      ASP  63  -2.853  -1.439   2.268
  414    HB3  ASP  63           HB1      ASP  63  -1.288  -1.885   2.948
  415    H    CYS  64           H        CYS  64   0.652   1.059   2.949
  416    HA   CYS  64           HA       CYS  64   2.806  -0.256   1.453
  417    HB2  CYS  64           HB2      CYS  64   3.195   2.044   1.956
  418    HB3  CYS  64           HB1      CYS  64   2.771   1.828   3.649
  419    HA   PRO  65           HA       PRO  65   3.179  -3.511   4.368
  420    HB2  PRO  65           HB2      PRO  65   5.375  -4.617   3.163
  421    HB3  PRO  65           HB1      PRO  65   3.732  -4.844   2.566
  422    HG2  PRO  65           HG2      PRO  65   5.933  -3.181   1.464
  423    HG3  PRO  65           HG1      PRO  65   4.530  -3.876   0.638
  424    HD2  PRO  65           HD2      PRO  65   4.823  -1.181   1.455
  425    HD3  PRO  65           HD1      PRO  65   3.327  -1.958   0.897
  426    H    ARG  66           H        ARG  66   4.687  -4.117   6.067
  427    HA   ARG  66           HA       ARG  66   6.457  -1.943   6.901
  428    HB2  ARG  66           HB2      ARG  66   5.015  -3.423   8.435
  429    HB3  ARG  66           HB1      ARG  66   6.238  -4.670   8.190
  430    HG2  ARG  66           HG2      ARG  66   7.238  -3.689   9.988
  431    HG3  ARG  66           HG1      ARG  66   7.818  -2.535   8.788
  432    HD2  ARG  66           HD2      ARG  66   6.671  -0.891   9.804
  433    HD3  ARG  66           HD1      ARG  66   5.166  -1.773   9.539
  434    HE   ARG  66           HE       ARG  66   6.735  -1.739  12.029
  435   HH11  ARG  66          1HH2      ARG  66   5.889  -4.568  11.095
  436   HH12  ARG  66          2HH2      ARG  66   4.412  -4.757  11.980
  437   HH21  ARG  66          1HH1      ARG  66   4.135  -1.386  12.753
  438   HH22  ARG  66          2HH1      ARG  66   3.418  -2.955  12.918
  439    H    ASN  67           H        ASN  67   8.375  -1.802   5.800
  440    HA   ASN  67           HA       ASN  67   9.882  -4.345   5.326
  441    HB2  ASN  67           HB2      ASN  67   9.553  -1.838   3.751
  442    HB3  ASN  67           HB1      ASN  67  11.142  -2.604   3.711
  443   HD21  ASN  67          1HD2      ASN  67  10.844  -3.299   1.469
  444   HD22  ASN  67          2HD2      ASN  67   9.780  -4.562   1.075
  445    H    GLY  68           H        GLY  68   9.762  -2.083   7.583
  446    HA2  GLY  68           HA2      GLY  68  12.497  -1.104   7.644
  447    HA3  GLY  68           HA1      GLY  68  11.335  -1.000   8.967
  448    H    LEU  69           H        LEU  69  12.610  -1.814  10.633
  449    HA   LEU  69           HA       LEU  69  13.745  -4.551  10.230
  450    HB2  LEU  69           HB2      LEU  69  14.853  -2.173  11.371
  451    HB3  LEU  69           HB1      LEU  69  14.682  -3.368  12.656
  452    HG   LEU  69           HG       LEU  69  15.817  -4.215  10.010
  453   HD11  LEU  69          1HD1      LEU  69  17.252  -2.390  10.395
  454   HD12  LEU  69          2HD1      LEU  69  18.100  -3.730  11.164
  455   HD13  LEU  69          3HD1      LEU  69  17.184  -2.586  12.146
  456   HD21  LEU  69          3HD2      LEU  69  15.503  -6.036  11.455
  457   HD22  LEU  69          1HD2      LEU  69  15.921  -5.095  12.887
  458   HD23  LEU  69          2HD2      LEU  69  17.184  -5.601  11.765
  459    H    TYR  70           H        TYR  70  10.953  -4.096  10.811
  460    HA   TYR  70           HA       TYR  70  10.829  -5.471  13.452
  461    HB2  TYR  70           HB2      TYR  70   8.884  -3.303  12.619
  462    HB3  TYR  70           HB1      TYR  70   8.976  -4.114  14.183
  463    HD1  TYR  70           HD1      TYR  70  10.559  -1.639  11.956
  464    HD2  TYR  70           HD2      TYR  70  10.731  -3.573  15.787
  465    HE1  TYR  70           HE1      TYR  70  12.181   0.063  12.741
  466    HE2  TYR  70           HE2      TYR  70  12.355  -1.871  16.573
  467    HH   TYR  70           HH       TYR  70  12.785   0.845  15.597
  468    H    GLY  71           H        GLY  71   8.913  -6.835  13.666
  469    HA2  GLY  71           HA2      GLY  71   6.721  -7.313  12.261
  470    HA3  GLY  71           HA1      GLY  71   7.901  -7.719  11.014
  Start of MODEL    2
    1    H    GLY   1           HT1      GLY   1 -19.361 -10.867   3.932
    2    HA2  GLY   1           HA1      GLY   1 -16.719 -11.618   4.516
    3    HA3  GLY   1           HA2      GLY   1 -16.862 -11.316   2.784
    4    H    LYS   2           H        LYS   2 -15.812  -9.302   2.762
    5    HA   LYS   2           HA       LYS   2 -17.082  -7.154   4.411
    6    HB2  LYS   2           HB2      LYS   2 -14.317  -7.810   3.814
    7    HB3  LYS   2           HB1      LYS   2 -14.695  -6.161   3.316
    8    HG2  LYS   2           HG2      LYS   2 -15.940  -6.561   5.836
    9    HG3  LYS   2           HG1      LYS   2 -14.292  -7.175   5.975
   10    HD2  LYS   2           HD2      LYS   2 -13.400  -5.101   5.859
   11    HD3  LYS   2           HD1      LYS   2 -14.435  -4.648   4.504
   12    HE2  LYS   2           HE2      LYS   2 -14.916  -3.256   6.488
   13    HE3  LYS   2           HE1      LYS   2 -16.308  -4.249   6.057
   14    HZ1  LYS   2           HZ1      LYS   2 -14.851  -4.214   8.466
   15    HZ2  LYS   2           HZ2      LYS   2 -14.721  -5.758   7.766
   16    HZ3  LYS   2           HZ3      LYS   2 -16.252  -5.092   8.087
   17    H    GLU   3           H        GLU   3 -16.203  -4.945   2.994
   18    HA   GLU   3           HA       GLU   3 -16.634  -5.111   0.159
   19    HB2  GLU   3           HB2      GLU   3 -18.891  -3.919   0.201
   20    HB3  GLU   3           HB1      GLU   3 -18.923  -5.628   0.640
   21    HG2  GLU   3           HG2      GLU   3 -18.559  -4.688   3.083
   22    HG3  GLU   3           HG1      GLU   3 -19.244  -3.217   2.394
   23    H    CYS   4           H        CYS   4 -14.966  -3.772   2.202
   24    HA   CYS   4           HA       CYS   4 -15.436  -0.954   1.313
   25    HB2  CYS   4           HB2      CYS   4 -14.605  -1.971   4.044
   26    HB3  CYS   4           HB1      CYS   4 -14.425  -0.289   3.555
   27    H    ASP   5           H        ASP   5 -13.897  -1.092  -0.329
   28    HA   ASP   5           HA       ASP   5 -11.278  -2.257   0.043
   29    HB2  ASP   5           HB2      ASP   5 -12.763  -1.478  -2.131
   30    HB3  ASP   5           HB1      ASP   5 -11.553  -0.197  -2.048
   31    H    CYS   6           H        CYS   6 -12.642   0.901   0.651
   32    HA   CYS   6           HA       CYS   6  -9.888   1.918   1.222
   33    HB2  CYS   6           HB2      CYS   6 -10.974   4.197   1.053
   34    HB3  CYS   6           HB1      CYS   6 -10.942   3.284  -0.455
   35    H    SER   7           H        SER   7  -9.723   3.357   3.131
   36    HA   SER   7           HA       SER   7 -11.508   2.384   5.305
   37    HB2  SER   7           HB2      SER   7  -9.099   2.061   5.662
   38    HB3  SER   7           HB1      SER   7  -8.818   3.782   5.415
   39    HG   SER   7           HG       SER   7  -9.902   2.423   7.583
   40    H    SER   8           H        SER   8 -11.343   4.972   3.250
   41    HA   SER   8           HA       SER   8 -12.476   6.791   5.335
   42    HB2  SER   8           HB2      SER   8 -11.300   7.909   2.828
   43    HB3  SER   8           HB1      SER   8 -11.373   8.612   4.441
   44    HG   SER   8           HG       SER   8  -9.406   7.205   3.300
   45    HA   PRO   9           HA       PRO   9 -16.035   6.521   2.676
   46    HB2  PRO   9           HB2      PRO   9 -17.607   8.221   4.159
   47    HB3  PRO   9           HB1      PRO   9 -17.314   6.529   4.596
   48    HG2  PRO   9           HG2      PRO   9 -16.183   9.005   5.816
   49    HG3  PRO   9           HG1      PRO   9 -16.448   7.414   6.548
   50    HD2  PRO   9           HD2      PRO   9 -13.967   8.423   5.642
   51    HD3  PRO   9           HD1      PRO   9 -14.317   6.730   6.053
   52    H    GLU  10           H        GLU  10 -14.326   9.425   3.563
   53    HA   GLU  10           HA       GLU  10 -15.821  11.188   1.773
   54    HB2  GLU  10           HB2      GLU  10 -13.063  11.667   2.923
   55    HB3  GLU  10           HB1      GLU  10 -14.241  12.872   2.404
   56    HG2  GLU  10           HG2      GLU  10 -15.006  10.925   4.553
   57    HG3  GLU  10           HG1      GLU  10 -13.984  12.303   4.967
   58    H    ASN  11           H        ASN  11 -13.565   8.753   1.289
   59    HA   ASN  11           HA       ASN  11 -11.981   9.921  -0.815
   60    HB2  ASN  11           HB2      ASN  11 -11.093   7.980   0.227
   61    HB3  ASN  11           HB1      ASN  11 -12.598   7.086   0.017
   62   HD21  ASN  11          1HD2      ASN  11 -11.111   5.448  -1.072
   63   HD22  ASN  11          2HD2      ASN  11 -10.741   5.674  -2.712
   64    HA   PRO  12           HA       PRO  12 -15.255   9.770  -3.845
   65    HB2  PRO  12           HB2      PRO  12 -13.764  10.856  -5.882
   66    HB3  PRO  12           HB1      PRO  12 -14.494  11.817  -4.585
   67    HG2  PRO  12           HG2      PRO  12 -11.636  11.067  -4.983
   68    HG3  PRO  12           HG1      PRO  12 -12.322  12.461  -4.134
   69    HD2  PRO  12           HD2      PRO  12 -11.293  10.119  -2.920
   70    HD3  PRO  12           HD1      PRO  12 -12.266  11.372  -2.120
   71    H    CYS  13           H        CYS  13 -11.961   8.605  -4.500
   72    HA   CYS  13           HA       CYS  13 -12.393   7.172  -6.865
   73    HB2  CYS  13           HB2      CYS  13 -10.251   7.540  -5.378
   74    HB3  CYS  13           HB1      CYS  13 -10.710   5.983  -4.685
   75    H    CYS  14           H        CYS  14 -12.710   5.923  -3.520
   76    HA   CYS  14           HA       CYS  14 -14.065   3.518  -4.596
   77    HB2  CYS  14           HB2      CYS  14 -13.846   2.619  -2.370
   78    HB3  CYS  14           HB1      CYS  14 -12.311   3.384  -2.782
   79    H    ASP  15           H        ASP  15 -16.241   3.251  -4.524
   80    HA   ASP  15           HA       ASP  15 -18.046   5.356  -3.997
   81    HB2  ASP  15           HB2      ASP  15 -18.384   2.998  -5.143
   82    HB3  ASP  15           HB1      ASP  15 -18.874   2.513  -3.516
   83    H    ALA  16           H        ALA  16 -18.947   6.132  -2.117
   84    HA   ALA  16           HA       ALA  16 -17.879   5.297   0.428
   85    HB1  ALA  16           HB1      ALA  16 -18.686   7.600   0.013
   86    HB2  ALA  16           HB2      ALA  16 -19.522   6.870   1.385
   87    HB3  ALA  16           HB3      ALA  16 -20.327   6.985  -0.180
   88    H    ALA  17           H        ALA  17 -21.094   4.907  -1.084
   89    HA   ALA  17           HA       ALA  17 -22.359   3.461   0.966
   90    HB1  ALA  17           HB1      ALA  17 -22.608   3.384  -2.037
   91    HB2  ALA  17           HB2      ALA  17 -23.732   4.054  -0.854
   92    HB3  ALA  17           HB3      ALA  17 -23.572   2.306  -1.027
   93    H    THR  18           H        THR  18 -20.520   2.102  -1.798
   94    HA   THR  18           HA       THR  18 -20.412  -0.496  -0.367
   95    HB   THR  18           HB       THR  18 -19.557  -1.394  -2.479
   96    HG1  THR  18           HG1      THR  18 -19.330   0.053  -4.240
   97   HG21  THR  18          3HG2      THR  18 -21.545  -0.146  -3.927
   98   HG22  THR  18          1HG2      THR  18 -22.060   0.125  -2.263
   99   HG23  THR  18          2HG2      THR  18 -21.789  -1.517  -2.844
  100    H    CYS  19           H        CYS  19 -18.743   2.196  -0.055
  101    HA   CYS  19           HA       CYS  19 -16.453   2.782   0.207
  102    HB2  CYS  19           HB2      CYS  19 -15.435   0.969   1.869
  103    HB3  CYS  19           HB1      CYS  19 -16.643   2.125   2.397
  104    H    LYS  20           H        LYS  20 -16.815   1.162  -2.214
  105    HA   LYS  20           HA       LYS  20 -14.100  -0.093  -2.221
  106    HB2  LYS  20           HB2      LYS  20 -16.597  -1.184  -3.556
  107    HB3  LYS  20           HB1      LYS  20 -14.971  -1.834  -3.767
  108    HG2  LYS  20           HG2      LYS  20 -15.583  -1.550  -0.949
  109    HG3  LYS  20           HG1      LYS  20 -16.816  -2.523  -1.752
  110    HD2  LYS  20           HD2      LYS  20 -13.936  -3.068  -2.376
  111    HD3  LYS  20           HD1      LYS  20 -14.595  -3.652  -0.847
  112    HE2  LYS  20           HE2      LYS  20 -16.053  -5.121  -1.875
  113    HE3  LYS  20           HE1      LYS  20 -16.190  -4.133  -3.329
  114    HZ1  LYS  20           HZ1      LYS  20 -14.532  -6.329  -2.899
  115    HZ2  LYS  20           HZ2      LYS  20 -13.525  -4.968  -3.035
  116    HZ3  LYS  20           HZ3      LYS  20 -14.622  -5.346  -4.277
  117    H    LEU  21           H        LEU  21 -13.224  -0.265  -4.503
  118    HA   LEU  21           HA       LEU  21 -13.317   2.266  -5.802
  119    HB2  LEU  21           HB2      LEU  21 -12.308  -0.451  -6.624
  120    HB3  LEU  21           HB1      LEU  21 -12.269   0.903  -7.752
  121    HG   LEU  21           HG       LEU  21 -11.264   1.948  -5.357
  122   HD11  LEU  21          1HD1      LEU  21  -9.435   0.396  -4.786
  123   HD12  LEU  21          2HD1      LEU  21 -10.069  -0.776  -5.943
  124   HD13  LEU  21          3HD1      LEU  21 -11.006  -0.356  -4.509
  125   HD21  LEU  21          3HD2      LEU  21 -10.597   1.875  -8.016
  126   HD22  LEU  21          1HD2      LEU  21  -9.284   0.949  -7.293
  127   HD23  LEU  21          2HD2      LEU  21  -9.595   2.599  -6.757
  128    H    ARG  22           H        ARG  22 -14.982   3.082  -6.978
  129    HA   ARG  22           HA       ARG  22 -17.097   1.330  -7.968
  130    HB2  ARG  22           HB2      ARG  22 -17.069   3.925  -7.134
  131    HB3  ARG  22           HB1      ARG  22 -17.052   4.139  -8.885
  132    HG2  ARG  22           HG2      ARG  22 -18.913   2.063  -8.299
  133    HG3  ARG  22           HG1      ARG  22 -19.261   3.411  -7.214
  134    HD2  ARG  22           HD2      ARG  22 -19.351   4.953  -9.119
  135    HD3  ARG  22           HD1      ARG  22 -18.939   3.641 -10.222
  136    HE   ARG  22           HE       ARG  22 -21.384   3.291  -8.589
  137   HH11  ARG  22          1HH1      ARG  22 -20.750   1.711 -11.078
  138   HH12  ARG  22          2HH1      ARG  22 -21.771   2.474 -12.250
  139   HH21  ARG  22          1HH2      ARG  22 -22.330   5.298 -10.319
  140   HH22  ARG  22          2HH2      ARG  22 -22.665   4.504 -11.822
  141    HA   PRO  23           HA       PRO  23 -15.338   2.756 -12.177
  142    HB2  PRO  23           HB2      PRO  23 -12.972   4.154 -12.157
  143    HB3  PRO  23           HB1      PRO  23 -14.565   4.923 -12.067
  144    HG2  PRO  23           HG2      PRO  23 -12.543   4.548  -9.915
  145    HG3  PRO  23           HG1      PRO  23 -13.825   5.764 -10.050
  146    HD2  PRO  23           HD2      PRO  23 -13.880   3.426  -8.436
  147    HD3  PRO  23           HD1      PRO  23 -15.247   4.508  -8.771
  148    H    GLY  24           H        GLY  24 -12.783   2.574 -13.279
  149    HA2  GLY  24           HA2      GLY  24 -12.033  -0.175 -12.504
  150    HA3  GLY  24           HA1      GLY  24 -11.481   0.680 -13.945
  151    H    ALA  25           H        ALA  25 -11.350   2.330 -10.892
  152    HA   ALA  25           HA       ALA  25  -8.503   2.735 -11.106
  153    HB1  ALA  25           HB1      ALA  25  -9.458   4.470  -9.916
  154    HB2  ALA  25           HB2      ALA  25  -8.978   3.449  -8.559
  155    HB3  ALA  25           HB3      ALA  25 -10.644   3.421  -9.137
  156    H    GLN  26           H        GLN  26  -6.832   1.850  -9.706
  157    HA   GLN  26           HA       GLN  26  -7.334  -0.934  -8.968
  158    HB2  GLN  26           HB2      GLN  26  -5.038   0.742  -9.488
  159    HB3  GLN  26           HB1      GLN  26  -4.824  -0.108  -7.958
  160    HG2  GLN  26           HG2      GLN  26  -5.931  -1.773 -10.125
  161    HG3  GLN  26           HG1      GLN  26  -4.287  -1.199 -10.410
  162   HE21  GLN  26          1HE2      GLN  26  -2.811  -2.732  -9.689
  163   HE22  GLN  26          2HE2      GLN  26  -2.977  -3.658  -8.277
  164    H    CYS  27           H        CYS  27  -6.255   1.965  -7.170
  165    HA   CYS  27           HA       CYS  27  -7.550   0.769  -4.759
  166    HB2  CYS  27           HB2      CYS  27  -5.432   0.614  -3.925
  167    HB3  CYS  27           HB1      CYS  27  -4.769   1.682  -5.155
  168    H    GLY  28           H        GLY  28  -8.795   2.191  -3.569
  169    HA2  GLY  28           HA2      GLY  28  -9.359   4.778  -4.849
  170    HA3  GLY  28           HA1      GLY  28 -10.272   4.066  -3.517
  171    H    GLU  29           H        GLU  29  -7.982   3.470  -1.896
  172    HA   GLU  29           HA       GLU  29  -6.672   6.070  -1.392
  173    HB2  GLU  29           HB2      GLU  29  -8.788   6.135  -0.095
  174    HB3  GLU  29           HB1      GLU  29  -8.326   4.634   0.707
  175    HG2  GLU  29           HG2      GLU  29  -6.345   6.859   0.750
  176    HG3  GLU  29           HG1      GLU  29  -7.778   7.041   1.763
  177    H    GLY  30           H        GLY  30  -4.754   5.798  -0.041
  178    HA2  GLY  30           HA2      GLY  30  -3.896   3.578   1.355
  179    HA3  GLY  30           HA1      GLY  30  -3.563   3.148  -0.324
  180    H    LEU  31           H        LEU  31  -1.485   3.467   1.568
  181    HA   LEU  31           HA       LEU  31  -0.321   6.077   1.593
  182    HB2  LEU  31           HB2      LEU  31   0.379   3.489   2.521
  183    HB3  LEU  31           HB1      LEU  31   1.716   4.042   1.514
  184    HG   LEU  31           HG       LEU  31   1.926   4.729   3.920
  185   HD11  LEU  31          1HD1      LEU  31   1.558   6.987   1.926
  186   HD12  LEU  31          2HD1      LEU  31   3.018   6.017   2.116
  187   HD13  LEU  31          3HD1      LEU  31   2.488   7.079   3.421
  188   HD21  LEU  31          3HD2      LEU  31   0.162   6.943   3.932
  189   HD22  LEU  31          1HD2      LEU  31   0.079   5.506   4.950
  190   HD23  LEU  31          2HD2      LEU  31  -0.796   5.554   3.419
  191    H    CYS  32           H        CYS  32  -0.227   3.460  -0.756
  192    HA   CYS  32           HA       CYS  32   1.377   5.242  -2.539
  193    HB2  CYS  32           HB2      CYS  32   1.321   2.216  -2.402
  194    HB3  CYS  32           HB1      CYS  32   2.189   3.149  -3.625
  195    H    CYS  33           H        CYS  33  -0.846   6.088  -3.039
  196    HA   CYS  33           HA       CYS  33  -2.016   4.495  -5.265
  197    HB2  CYS  33           HB2      CYS  33  -3.530   5.790  -2.982
  198    HB3  CYS  33           HB1      CYS  33  -4.299   5.233  -4.467
  199    H    GLU  34           H        GLU  34  -1.166   5.909  -6.825
  200    HA   GLU  34           HA       GLU  34  -1.929   8.786  -6.577
  201    HB2  GLU  34           HB2      GLU  34   0.150   7.458  -8.346
  202    HB3  GLU  34           HB1      GLU  34  -0.192   9.188  -8.296
  203    HG2  GLU  34           HG2      GLU  34   0.189   8.467  -5.618
  204    HG3  GLU  34           HG1      GLU  34   1.442   7.592  -6.499
  205    H    GLN  35           H        GLN  35  -3.408   9.590  -8.029
  206    HA   GLN  35           HA       GLN  35  -4.957   9.593  -9.789
  207    HB2  GLN  35           HB2      GLN  35  -2.860   9.407 -11.157
  208    HB3  GLN  35           HB1      GLN  35  -3.014   7.651 -11.080
  209    HG2  GLN  35           HG2      GLN  35  -4.885   7.613 -12.449
  210    HG3  GLN  35           HG1      GLN  35  -5.371   9.251 -12.004
  211   HE21  GLN  35          1HE2      GLN  35  -2.011   8.676 -12.841
  212   HE22  GLN  35          2HE2      GLN  35  -2.061   9.435 -14.360
  213    H    CYS  36           H        CYS  36  -5.071   7.632  -7.589
  214    HA   CYS  36           HA       CYS  36  -6.411   5.813  -6.975
  215    HB2  CYS  36           HB2      CYS  36  -7.536   6.492  -9.687
  216    HB3  CYS  36           HB1      CYS  36  -8.082   5.071  -8.811
  217    H    LYS  37           H        LYS  37  -3.891   5.652  -8.897
  218    HA   LYS  37           HA       LYS  37  -4.334   2.818  -9.721
  219    HB2  LYS  37           HB2      LYS  37  -2.911   5.075 -10.899
  220    HB3  LYS  37           HB1      LYS  37  -1.885   3.645 -10.765
  221    HG2  LYS  37           HG2      LYS  37  -4.168   2.494 -11.660
  222    HG3  LYS  37           HG1      LYS  37  -4.313   4.082 -12.415
  223    HD2  LYS  37           HD2      LYS  37  -1.898   3.767 -13.202
  224    HD3  LYS  37           HD1      LYS  37  -2.070   2.079 -12.719
  225    HE2  LYS  37           HE2      LYS  37  -3.449   1.584 -14.462
  226    HE3  LYS  37           HE1      LYS  37  -4.288   3.133 -14.364
  227    HZ1  LYS  37           HZ1      LYS  37  -2.412   4.194 -15.428
  228    HZ2  LYS  37           HZ2      LYS  37  -2.989   2.926 -16.401
  229    HZ3  LYS  37           HZ3      LYS  37  -1.569   2.722 -15.489
  230    H    PHE  38           H        PHE  38  -2.336   1.416  -9.488
  231    HA   PHE  38           HA       PHE  38  -1.394   1.568  -6.728
  232    HB2  PHE  38           HB2      PHE  38  -1.195  -0.354  -8.994
  233    HB3  PHE  38           HB1      PHE  38   0.087  -0.420  -7.791
  234    HD1  PHE  38           HD1      PHE  38  -3.126   0.793  -6.624
  235    HD2  PHE  38           HD2      PHE  38  -0.767  -2.738  -7.268
  236    HE1  PHE  38           HE1      PHE  38  -4.617  -0.487  -5.113
  237    HE2  PHE  38           HE2      PHE  38  -2.259  -4.013  -5.753
  238    HZ   PHE  38           HZ       PHE  38  -4.186  -2.886  -4.674
  239    H    SER  39           H        SER  39   0.478   2.568  -6.092
  240    HA   SER  39           HA       SER  39   2.136   3.992  -7.941
  241    HB2  SER  39           HB2      SER  39   3.148   3.092  -5.248
  242    HB3  SER  39           HB1      SER  39   3.423   4.620  -6.083
  243    HG   SER  39           HG       SER  39   1.896   5.140  -4.653
  244    H    ARG  40           H        ARG  40   4.602   2.669  -6.338
  245    HA   ARG  40           HA       ARG  40   4.781   0.233  -8.033
  246    HB2  ARG  40           HB2      ARG  40   6.586   2.637  -8.123
  247    HB3  ARG  40           HB1      ARG  40   7.252   1.039  -8.453
  248    HG2  ARG  40           HG2      ARG  40   6.154   0.848 -10.443
  249    HG3  ARG  40           HG1      ARG  40   4.705   1.645  -9.831
  250    HD2  ARG  40           HD2      ARG  40   5.433   3.733 -10.429
  251    HD3  ARG  40           HD1      ARG  40   7.123   3.350 -10.102
  252    HE   ARG  40           HE       ARG  40   5.744   2.986 -12.656
  253   HH11  ARG  40          1HH2      ARG  40   8.674   3.781 -11.901
  254   HH12  ARG  40          2HH2      ARG  40   9.529   2.448 -12.603
  255   HH21  ARG  40          1HH1      ARG  40   6.689   0.501 -13.012
  256   HH22  ARG  40          2HH1      ARG  40   8.404   0.592 -13.234
  257    H    ALA  41           H        ALA  41   6.535  -1.221  -7.302
  258    HA   ALA  41           HA       ALA  41   6.685  -1.351  -4.416
  259    HB1  ALA  41           HB1      ALA  41   6.943  -3.202  -6.401
  260    HB2  ALA  41           HB2      ALA  41   7.506  -3.460  -4.748
  261    HB3  ALA  41           HB3      ALA  41   8.638  -2.930  -5.993
  262    H    GLY  42           H        GLY  42   8.792  -1.392  -3.216
  263    HA2  GLY  42           HA2      GLY  42  10.882  -0.430  -2.684
  264    HA3  GLY  42           HA1      GLY  42  11.133  -0.174  -4.413
  265    H    LYS  43           H        LYS  43   8.209   0.954  -2.926
  266    HA   LYS  43           HA       LYS  43   9.149   3.760  -3.375
  267    HB2  LYS  43           HB2      LYS  43   7.223   3.383  -4.677
  268    HB3  LYS  43           HB1      LYS  43   6.449   2.425  -3.424
  269    HG2  LYS  43           HG2      LYS  43   5.283   4.340  -3.017
  270    HG3  LYS  43           HG1      LYS  43   6.721   4.831  -2.141
  271    HD2  LYS  43           HD2      LYS  43   7.608   5.933  -4.138
  272    HD3  LYS  43           HD1      LYS  43   6.212   5.393  -5.071
  273    HE2  LYS  43           HE2      LYS  43   6.191   7.291  -2.709
  274    HE3  LYS  43           HE1      LYS  43   5.828   7.689  -4.388
  275    HZ1  LYS  43           HZ1      LYS  43   3.768   7.404  -3.326
  276    HZ2  LYS  43           HZ2      LYS  43   4.264   5.984  -2.540
  277    HZ3  LYS  43           HZ3      LYS  43   4.006   5.982  -4.219
  278    H    ILE  44           H        ILE  44   9.538   4.997  -1.601
  279    HA   ILE  44           HA       ILE  44   9.227   4.014   1.058
  280    HB   ILE  44           HB       ILE  44  10.822   5.797   0.528
  281   HG12  ILE  44          2HG1      ILE  44  10.026   7.475   2.322
  282   HG13  ILE  44          1HG1      ILE  44   8.601   6.444   2.470
  283   HG21  ILE  44          1HG2      ILE  44  10.109   8.008  -0.097
  284   HG22  ILE  44          2HG2      ILE  44   8.414   7.589   0.147
  285   HG23  ILE  44          3HG2      ILE  44   9.314   6.877  -1.192
  286   HD11  ILE  44          3HD1      ILE  44  11.255   5.092   2.515
  287   HD12  ILE  44          1HD1      ILE  44   9.782   4.712   3.408
  288   HD13  ILE  44          2HD1      ILE  44  10.815   6.040   3.936
  289    H    CYS  45           H        CYS  45   7.323   3.599   1.974
  290    HA   CYS  45           HA       CYS  45   4.943   5.244   1.285
  291    HB2  CYS  45           HB2      CYS  45   3.753   3.452   2.648
  292    HB3  CYS  45           HB1      CYS  45   4.498   2.905   1.148
  293    H    ARG  46           H        ARG  46   7.269   4.754   3.757
  294    HA   ARG  46           HA       ARG  46   6.047   6.857   5.374
  295    HB2  ARG  46           HB2      ARG  46   5.405   4.163   5.963
  296    HB3  ARG  46           HB1      ARG  46   6.558   4.683   7.194
  297    HG2  ARG  46           HG2      ARG  46   5.165   6.384   7.973
  298    HG3  ARG  46           HG1      ARG  46   4.284   6.497   6.449
  299    HD2  ARG  46           HD2      ARG  46   3.119   5.349   8.483
  300    HD3  ARG  46           HD1      ARG  46   3.004   4.583   6.899
  301    HE   ARG  46           HE       ARG  46   5.217   3.711   8.667
  302   HH11  ARG  46          1HH2      ARG  46   4.303   2.187   6.239
  303   HH12  ARG  46          2HH2      ARG  46   3.356   0.922   6.947
  304   HH21  ARG  46          1HH1      ARG  46   3.059   2.503  10.019
  305   HH22  ARG  46          2HH1      ARG  46   2.653   1.101   9.087
  306    H    ILE  47           H        ILE  47   7.518   6.187   7.766
  307    HA   ILE  47           HA       ILE  47  10.322   6.369   6.739
  308    HB   ILE  47           HB       ILE  47   9.881   7.726   9.296
  309   HG12  ILE  47          2HG1      ILE  47   8.862   9.742   7.874
  310   HG13  ILE  47          1HG1      ILE  47   8.177   8.419   6.931
  311   HG21  ILE  47          1HG2      ILE  47  11.885   7.834   7.749
  312   HG22  ILE  47          2HG2      ILE  47  11.259   9.401   8.263
  313   HG23  ILE  47          3HG2      ILE  47  10.893   8.792   6.649
  314   HD11  ILE  47          3HD1      ILE  47   7.582   9.263   9.716
  315   HD12  ILE  47          1HD1      ILE  47   7.627   7.524   9.422
  316   HD13  ILE  47          2HD1      ILE  47   6.519   8.545   8.506
  317    H    ALA  48           H        ALA  48  11.941   5.813   8.517
  318    HA   ALA  48           HA       ALA  48  10.895   3.465  10.019
  319    HB1  ALA  48           HB1      ALA  48  12.744   2.607   8.993
  320    HB2  ALA  48           HB2      ALA  48  13.602   3.361  10.337
  321    HB3  ALA  48           HB3      ALA  48  13.486   4.193   8.785
  322    H    ARG  49           H        ARG  49  10.503   3.753  12.152
  323    HA   ARG  49           HA       ARG  49  11.467   6.149  13.528
  324    HB2  ARG  49           HB2      ARG  49  10.010   3.775  14.719
  325    HB3  ARG  49           HB1      ARG  49  10.107   5.409  15.375
  326    HG2  ARG  49           HG2      ARG  49   9.085   5.996  12.957
  327    HG3  ARG  49           HG1      ARG  49   8.443   4.362  13.140
  328    HD2  ARG  49           HD2      ARG  49   7.997   6.756  14.923
  329    HD3  ARG  49           HD1      ARG  49   6.792   5.747  14.121
  330    HE   ARG  49           HE       ARG  49   8.363   4.180  15.963
  331   HH11  ARG  49          1HH1      ARG  49   5.303   5.280  15.301
  332   HH12  ARG  49          2HH1      ARG  49   4.762   5.352  16.945
  333   HH21  ARG  49          1HH2      ARG  49   7.913   4.808  18.284
  334   HH22  ARG  49          2HH2      ARG  49   6.240   5.082  18.633
  335    H    GLY  50           H        GLY  50  13.754   5.863  13.630
  336    HA2  GLY  50           HA2      GLY  50  15.066   5.021  15.778
  337    HA3  GLY  50           HA1      GLY  50  14.746   3.449  15.046
  338    H    ASP  51           H        ASP  51  16.230   2.725  13.592
  339    HA   ASP  51           HA       ASP  51  17.766   4.631  11.951
  340    HB2  ASP  51           HB2      ASP  51  18.832   3.502  14.385
  341    HB3  ASP  51           HB1      ASP  51  19.736   2.891  12.999
  342    H    TRP  52           H        TRP  52  15.898   2.768  11.104
  343    HA   TRP  52           HA       TRP  52  17.647   0.758   9.754
  344    HB2  TRP  52           HB2      TRP  52  15.234  -0.522   9.806
  345    HB3  TRP  52           HB1      TRP  52  16.518  -0.799  10.980
  346    HD1  TRP  52           HD       TRP  52  13.392   1.422  10.519
  347    HE1  TRP  52           HE1      TRP  52  12.425   1.947  12.849
  348    HE3  TRP  52           HE3      TRP  52  16.922  -0.806  13.460
  349    HZ2  TRP  52           HZ2      TRP  52  13.065   1.484  15.599
  350    HZ3  TRP  52           HZ3      TRP  52  16.720  -0.748  15.930
  351    HH2  TRP  52           HH       TRP  52  14.798   0.394  17.001
  352    H    ASN  53           H        ASN  53  16.581  -0.070   7.698
  353    HA   ASN  53           HA       ASN  53  16.026   1.974   5.893
  354    HB2  ASN  53           HB2      ASN  53  15.885  -0.892   5.884
  355    HB3  ASN  53           HB1      ASN  53  14.456  -0.252   5.072
  356   HD21  ASN  53          1HD2      ASN  53  15.306   1.959   3.732
  357   HD22  ASN  53          2HD2      ASN  53  16.576   1.595   2.668
  358    H    ASP  54           H        ASP  54  14.150   3.005   5.154
  359    HA   ASP  54           HA       ASP  54  12.004   3.325   7.041
  360    HB2  ASP  54           HB2      ASP  54  11.955   4.055   4.101
  361    HB3  ASP  54           HB1      ASP  54  11.027   4.797   5.406
  362    H    ASP  55           H        ASP  55  10.017   3.260   4.592
  363    HA   ASP  55           HA       ASP  55   9.601   0.302   4.591
  364    HB2  ASP  55           HB2      ASP  55   7.588   2.478   5.198
  365    HB3  ASP  55           HB1      ASP  55   7.106   0.853   4.712
  366    H    ARG  56           H        ARG  56   9.739  -0.311   2.496
  367    HA   ARG  56           HA       ARG  56   8.995   1.619   0.369
  368    HB2  ARG  56           HB2      ARG  56  10.216  -1.132   0.058
  369    HB3  ARG  56           HB1      ARG  56  10.161   0.162  -1.138
  370    HG2  ARG  56           HG2      ARG  56  11.372   1.045   1.364
  371    HG3  ARG  56           HG1      ARG  56  12.242  -0.315   0.651
  372    HD2  ARG  56           HD2      ARG  56  11.914   1.095  -1.581
  373    HD3  ARG  56           HD1      ARG  56  11.802   2.436  -0.441
  374    HE   ARG  56           HE       ARG  56  14.080   0.941   0.292
  375   HH11  ARG  56          1HH2      ARG  56  12.922   3.304  -1.883
  376   HH12  ARG  56          2HH2      ARG  56  14.454   3.566  -2.648
  377   HH21  ARG  56          1HH1      ARG  56  16.059   1.035  -0.908
  378   HH22  ARG  56          2HH1      ARG  56  16.228   2.284  -2.097
  379    H    CYS  57           H        CYS  57   7.199   1.381  -0.863
  380    HA   CYS  57           HA       CYS  57   5.138  -0.475  -0.093
  381    HB2  CYS  57           HB2      CYS  57   5.495   1.664  -2.082
  382    HB3  CYS  57           HB1      CYS  57   4.440   0.364  -2.621
  383    H    THR  58           H        THR  58   4.227  -2.142  -1.538
  384    HA   THR  58           HA       THR  58   6.369  -3.723  -2.785
  385    HB   THR  58           HB       THR  58   3.815  -4.942  -3.118
  386    HG1  THR  58           HG1      THR  58   2.925  -4.736  -1.163
  387   HG21  THR  58          3HG2      THR  58   6.085  -5.422  -1.169
  388   HG22  THR  58          1HG2      THR  58   5.917  -6.138  -2.772
  389   HG23  THR  58          2HG2      THR  58   4.779  -6.562  -1.493
  390    H    GLY  59           H        GLY  59   4.258  -1.343  -3.819
  391    HA2  GLY  59           HA2      GLY  59   3.915  -0.570  -6.035
  392    HA3  GLY  59           HA1      GLY  59   4.781  -1.989  -6.625
  393    H    GLN  60           H        GLN  60   3.362  -4.090  -5.687
  394    HA   GLN  60           HA       GLN  60   0.831  -3.855  -7.175
  395    HB2  GLN  60           HB2      GLN  60   2.244  -6.215  -5.892
  396    HB3  GLN  60           HB1      GLN  60   0.713  -6.337  -6.757
  397    HG2  GLN  60           HG2      GLN  60   1.886  -6.553  -8.665
  398    HG3  GLN  60           HG1      GLN  60   2.419  -4.884  -8.462
  399   HE21  GLN  60          1HE2      GLN  60   4.146  -6.823  -9.657
  400   HE22  GLN  60          2HE2      GLN  60   5.445  -7.113  -8.604
  401    H    SER  61           H        SER  61   1.569  -2.872  -4.246
  402    HA   SER  61           HA       SER  61  -1.054  -3.746  -3.125
  403    HB2  SER  61           HB2      SER  61   1.294  -4.807  -2.195
  404    HB3  SER  61           HB1      SER  61   1.094  -3.421  -1.130
  405    HG   SER  61           HG       SER  61  -0.248  -4.704  -0.132
  406    H    ALA  62           H        ALA  62  -2.103  -1.790  -3.160
  407    HA   ALA  62           HA       ALA  62  -0.918   0.779  -2.893
  408    HB1  ALA  62           HB1      ALA  62  -3.371   1.243  -1.890
  409    HB2  ALA  62           HB2      ALA  62  -3.666  -0.346  -2.594
  410    HB3  ALA  62           HB3      ALA  62  -3.101   0.978  -3.612
  411    H    ASP  63           H        ASP  63  -2.095  -1.513  -0.475
  412    HA   ASP  63           HA       ASP  63  -1.672   0.356   1.736
  413    HB2  ASP  63           HB2      ASP  63  -2.587  -2.461   1.423
  414    HB3  ASP  63           HB1      ASP  63  -1.862  -2.029   2.972
  415    H    CYS  64           H        CYS  64   0.440   0.935   1.983
  416    HA   CYS  64           HA       CYS  64   2.728  -0.502   1.313
  417    HB2  CYS  64           HB2      CYS  64   3.090   1.720   1.932
  418    HB3  CYS  64           HB1      CYS  64   2.170   1.573   3.420
  419    HA   PRO  65           HA       PRO  65   2.672  -3.864   4.142
  420    HB2  PRO  65           HB2      PRO  65   5.068  -4.879   3.293
  421    HB3  PRO  65           HB1      PRO  65   3.561  -5.111   2.407
  422    HG2  PRO  65           HG2      PRO  65   5.879  -3.362   1.776
  423    HG3  PRO  65           HG1      PRO  65   4.661  -4.050   0.688
  424    HD2  PRO  65           HD2      PRO  65   4.734  -1.386   1.644
  425    HD3  PRO  65           HD1      PRO  65   3.382  -2.167   0.801
  426    H    ARG  66           H        ARG  66   4.985  -4.902   5.293
  427    HA   ARG  66           HA       ARG  66   6.043  -2.561   6.829
  428    HB2  ARG  66           HB2      ARG  66   6.362  -4.123   8.708
  429    HB3  ARG  66           HB1      ARG  66   4.677  -4.112   8.188
  430    HG2  ARG  66           HG2      ARG  66   4.900  -6.371   8.107
  431    HG3  ARG  66           HG1      ARG  66   5.739  -6.072   6.585
  432    HD2  ARG  66           HD2      ARG  66   7.826  -5.713   8.171
  433    HD3  ARG  66           HD1      ARG  66   6.879  -6.701   9.285
  434    HE   ARG  66           HE       ARG  66   8.381  -7.830   7.274
  435   HH11  ARG  66          1HH2      ARG  66   6.119  -9.107   9.020
  436   HH12  ARG  66          2HH2      ARG  66   5.213  -9.910   7.781
  437   HH21  ARG  66          1HH1      ARG  66   6.740  -8.189   5.184
  438   HH22  ARG  66          2HH1      ARG  66   5.566  -9.390   5.608
  439    H    ASN  67           H        ASN  67   8.162  -2.154   6.433
  440    HA   ASN  67           HA       ASN  67   9.882  -4.455   5.590
  441    HB2  ASN  67           HB2      ASN  67   9.555  -1.723   4.500
  442    HB3  ASN  67           HB1      ASN  67  11.225  -2.265   4.671
  443   HD21  ASN  67          1HD2      ASN  67   8.169  -2.908   3.006
  444   HD22  ASN  67          2HD2      ASN  67   8.808  -4.013   1.885
  445    H    GLY  68           H        GLY  68   9.450  -1.782   7.760
  446    HA2  GLY  68           HA2      GLY  68  12.192  -1.556   8.634
  447    HA3  GLY  68           HA1      GLY  68  10.784  -0.975   9.522
  448    H    LEU  69           H        LEU  69  12.976  -2.275  10.784
  449    HA   LEU  69           HA       LEU  69  11.719  -4.869  11.592
  450    HB2  LEU  69           HB2      LEU  69  13.992  -5.618  12.212
  451    HB3  LEU  69           HB1      LEU  69  13.911  -5.182  10.504
  452    HG   LEU  69           HG       LEU  69  14.529  -2.807  11.929
  453   HD11  LEU  69          1HD1      LEU  69  15.886  -5.272  12.954
  454   HD12  LEU  69          2HD1      LEU  69  15.424  -3.807  13.820
  455   HD13  LEU  69          3HD1      LEU  69  16.842  -3.801  12.772
  456   HD21  LEU  69          3HD2      LEU  69  15.853  -2.659  10.112
  457   HD22  LEU  69          1HD2      LEU  69  15.401  -4.311   9.691
  458   HD23  LEU  69          2HD2      LEU  69  16.832  -4.014  10.679
  459    H    TYR  70           H        TYR  70  11.114  -4.998  13.712
  460    HA   TYR  70           HA       TYR  70  12.395  -3.157  15.670
  461    HB2  TYR  70           HB2      TYR  70   9.398  -3.559  15.540
  462    HB3  TYR  70           HB1      TYR  70  10.287  -2.411  16.540
  463    HD1  TYR  70           HD2      TYR  70   9.602  -3.323  12.980
  464    HD2  TYR  70           HD1      TYR  70  10.763  -0.246  15.744
  465    HE1  TYR  70           HE2      TYR  70   9.479  -1.643  11.160
  466    HE2  TYR  70           HE1      TYR  70  10.640   1.434  13.924
  467    HH   TYR  70           HH       TYR  70  10.848   0.993  10.999
  468    H    GLY  71           H        GLY  71  10.091  -5.852  15.234
  469    HA2  GLY  71           HA2      GLY  71  11.363  -7.778  16.736
  470    HA3  GLY  71           HA1      GLY  71  10.525  -6.815  17.954
  Start of MODEL    3
    1    H    GLY   1           HT1      GLY   1 -16.534  -7.337   5.744
    2    HA2  GLY   1           HA1      GLY   1 -17.595  -9.264   4.751
    3    HA3  GLY   1           HA2      GLY   1 -18.715  -8.187   3.916
    4    H    LYS   2           H        LYS   2 -17.883  -8.994   1.870
    5    HA   LYS   2           HA       LYS   2 -15.138  -7.997   1.228
    6    HB2  LYS   2           HB2      LYS   2 -15.519  -9.640  -0.798
    7    HB3  LYS   2           HB1      LYS   2 -15.032 -10.281   0.772
    8    HG2  LYS   2           HG2      LYS   2 -17.394 -10.739   1.322
    9    HG3  LYS   2           HG1      LYS   2 -17.883 -10.103  -0.251
   10    HD2  LYS   2           HD2      LYS   2 -15.863 -11.981  -0.804
   11    HD3  LYS   2           HD1      LYS   2 -16.887 -12.741   0.416
   12    HE2  LYS   2           HE2      LYS   2 -18.269 -11.316  -1.805
   13    HE3  LYS   2           HE1      LYS   2 -17.473 -12.839  -2.205
   14    HZ1  LYS   2           HZ1      LYS   2 -19.853 -12.988  -1.437
   15    HZ2  LYS   2           HZ2      LYS   2 -19.298 -12.560   0.110
   16    HZ3  LYS   2           HZ3      LYS   2 -18.750 -13.989  -0.627
   17    H    GLU   3           H        GLU   3 -17.011  -6.051   1.182
   18    HA   GLU   3           HA       GLU   3 -17.343  -5.577  -1.733
   19    HB2  GLU   3           HB2      GLU   3 -19.498  -6.350  -0.216
   20    HB3  GLU   3           HB1      GLU   3 -19.589  -4.593  -0.095
   21    HG2  GLU   3           HG2      GLU   3 -19.284  -4.552  -2.638
   22    HG3  GLU   3           HG1      GLU   3 -19.605  -6.287  -2.597
   23    H    CYS   4           H        CYS   4 -15.597  -4.575   0.539
   24    HA   CYS   4           HA       CYS   4 -16.223  -1.683   0.143
   25    HB2  CYS   4           HB2      CYS   4 -15.796  -3.187   2.659
   26    HB3  CYS   4           HB1      CYS   4 -14.943  -1.650   2.539
   27    H    ASP   5           H        ASP   5 -14.611  -1.125  -1.293
   28    HA   ASP   5           HA       ASP   5 -11.900  -2.239  -0.955
   29    HB2  ASP   5           HB2      ASP   5 -13.404  -1.126  -3.122
   30    HB3  ASP   5           HB1      ASP   5 -11.952  -0.148  -2.903
   31    H    CYS   6           H        CYS   6 -13.498   0.022   0.685
   32    HA   CYS   6           HA       CYS   6 -11.031   1.493   1.341
   33    HB2  CYS   6           HB2      CYS   6 -12.056   3.703   1.031
   34    HB3  CYS   6           HB1      CYS   6 -12.047   2.823  -0.498
   35    H    SER   7           H        SER   7 -11.214   2.567   3.419
   36    HA   SER   7           HA       SER   7 -13.301   1.337   5.117
   37    HB2  SER   7           HB2      SER   7 -11.899   2.460   6.961
   38    HB3  SER   7           HB1      SER   7 -11.135   1.151   6.064
   39    HG   SER   7           HG       SER   7 -10.332   3.661   6.317
   40    H    SER   8           H        SER   8 -12.441   4.435   3.760
   41    HA   SER   8           HA       SER   8 -14.311   5.853   5.560
   42    HB2  SER   8           HB2      SER   8 -12.785   7.013   3.223
   43    HB3  SER   8           HB1      SER   8 -13.475   7.875   4.596
   44    HG   SER   8           HG       SER   8 -11.222   6.181   4.476
   45    HA   PRO   9           HA       PRO   9 -17.492   5.260   2.480
   46    HB2  PRO   9           HB2      PRO   9 -19.470   6.508   3.928
   47    HB3  PRO   9           HB1      PRO   9 -18.946   4.841   4.222
   48    HG2  PRO   9           HG2      PRO   9 -18.382   7.294   5.819
   49    HG3  PRO   9           HG1      PRO   9 -18.436   5.603   6.343
   50    HD2  PRO   9           HD2      PRO   9 -16.094   7.113   5.836
   51    HD3  PRO   9           HD1      PRO   9 -16.178   5.351   6.046
   52    H    GLU  10           H        GLU  10 -15.984   8.099   3.470
   53    HA   GLU  10           HA       GLU  10 -17.676   9.829   1.734
   54    HB2  GLU  10           HB2      GLU  10 -16.872  10.452   4.157
   55    HB3  GLU  10           HB1      GLU  10 -15.345  10.824   3.355
   56    HG2  GLU  10           HG2      GLU  10 -16.996  12.098   1.671
   57    HG3  GLU  10           HG1      GLU  10 -17.988  12.185   3.127
   58    H    ASN  11           H        ASN  11 -15.114   7.815   1.384
   59    HA   ASN  11           HA       ASN  11 -13.272   9.485  -0.101
   60    HB2  ASN  11           HB2      ASN  11 -12.931   7.125   1.028
   61    HB3  ASN  11           HB1      ASN  11 -13.490   6.523  -0.533
   62   HD21  ASN  11          1HD2      ASN  11 -10.709   7.488   1.135
   63   HD22  ASN  11          2HD2      ASN  11  -9.703   7.782  -0.200
   64    HA   PRO  12           HA       PRO  12 -15.682   9.515  -3.828
   65    HB2  PRO  12           HB2      PRO  12 -13.795  10.769  -5.386
   66    HB3  PRO  12           HB1      PRO  12 -14.816  11.616  -4.211
   67    HG2  PRO  12           HG2      PRO  12 -11.927  10.909  -4.017
   68    HG3  PRO  12           HG1      PRO  12 -12.816  12.224  -3.231
   69    HD2  PRO  12           HD2      PRO  12 -12.036   9.787  -2.015
   70    HD3  PRO  12           HD1      PRO  12 -13.187  10.967  -1.353
   71    H    CYS  13           H        CYS  13 -12.316   8.364  -3.793
   72    HA   CYS  13           HA       CYS  13 -12.235   7.132  -6.330
   73    HB2  CYS  13           HB2      CYS  13 -10.429   7.375  -4.394
   74    HB3  CYS  13           HB1      CYS  13 -10.966   5.740  -4.007
   75    H    CYS  14           H        CYS  14 -13.507   5.879  -3.244
   76    HA   CYS  14           HA       CYS  14 -14.470   3.480  -4.733
   77    HB2  CYS  14           HB2      CYS  14 -14.730   2.402  -2.580
   78    HB3  CYS  14           HB1      CYS  14 -13.122   3.122  -2.642
   79    H    ASP  15           H        ASP  15 -16.536   3.503  -5.358
   80    HA   ASP  15           HA       ASP  15 -18.404   5.531  -4.873
   81    HB2  ASP  15           HB2      ASP  15 -18.408   3.387  -6.461
   82    HB3  ASP  15           HB1      ASP  15 -19.408   2.733  -5.167
   83    H    ALA  16           H        ALA  16 -19.976   5.874  -3.296
   84    HA   ALA  16           HA       ALA  16 -19.546   4.532  -0.731
   85    HB1  ALA  16           HB1      ALA  16 -20.614   7.019  -1.595
   86    HB2  ALA  16           HB2      ALA  16 -20.374   6.470   0.063
   87    HB3  ALA  16           HB3      ALA  16 -21.910   6.173  -0.751
   88    H    ALA  17           H        ALA  17 -22.021   4.573  -3.265
   89    HA   ALA  17           HA       ALA  17 -24.026   3.090  -1.896
   90    HB1  ALA  17           HB1      ALA  17 -23.940   4.223  -4.319
   91    HB2  ALA  17           HB2      ALA  17 -25.071   2.921  -3.949
   92    HB3  ALA  17           HB3      ALA  17 -23.568   2.568  -4.803
   93    H    THR  18           H        THR  18 -21.141   2.057  -3.664
   94    HA   THR  18           HA       THR  18 -21.748  -0.759  -2.880
   95    HB   THR  18           HB       THR  18 -19.915  -1.284  -4.583
   96    HG1  THR  18           HG1      THR  18 -20.018   0.695  -6.135
   97   HG21  THR  18          3HG2      THR  18 -22.591  -1.036  -4.866
   98   HG22  THR  18          1HG2      THR  18 -21.527  -1.522  -6.186
   99   HG23  THR  18          2HG2      THR  18 -22.054   0.155  -6.049
  100    H    CYS  19           H        CYS  19 -19.784   1.926  -2.159
  101    HA   CYS  19           HA       CYS  19 -17.999   2.173  -0.652
  102    HB2  CYS  19           HB2      CYS  19 -19.416   0.749   0.797
  103    HB3  CYS  19           HB1      CYS  19 -18.726  -0.690   0.052
  104    H    LYS  20           H        LYS  20 -17.639   1.026  -3.426
  105    HA   LYS  20           HA       LYS  20 -14.932  -0.120  -2.919
  106    HB2  LYS  20           HB2      LYS  20 -17.042  -1.206  -4.792
  107    HB3  LYS  20           HB1      LYS  20 -15.340  -1.661  -4.890
  108    HG2  LYS  20           HG2      LYS  20 -16.467  -1.826  -2.177
  109    HG3  LYS  20           HG1      LYS  20 -17.212  -2.933  -3.332
  110    HD2  LYS  20           HD2      LYS  20 -14.306  -2.834  -3.612
  111    HD3  LYS  20           HD1      LYS  20 -14.804  -3.354  -2.002
  112    HE2  LYS  20           HE2      LYS  20 -15.572  -5.339  -2.770
  113    HE3  LYS  20           HE1      LYS  20 -16.398  -4.581  -4.132
  114    HZ1  LYS  20           HZ1      LYS  20 -14.281  -4.429  -5.285
  115    HZ2  LYS  20           HZ2      LYS  20 -14.625  -6.042  -4.876
  116    HZ3  LYS  20           HZ3      LYS  20 -13.488  -5.157  -3.974
  117    H    LEU  21           H        LEU  21 -13.647  -0.135  -5.075
  118    HA   LEU  21           HA       LEU  21 -13.462   2.531  -6.054
  119    HB2  LEU  21           HB2      LEU  21 -12.400  -0.111  -7.062
  120    HB3  LEU  21           HB1      LEU  21 -12.082   1.400  -7.916
  121    HG   LEU  21           HG       LEU  21 -11.612   1.533  -5.010
  122   HD11  LEU  21          1HD1      LEU  21 -10.853  -0.834  -5.920
  123   HD12  LEU  21          2HD1      LEU  21  -9.796   0.092  -4.855
  124   HD13  LEU  21          3HD1      LEU  21  -9.515   0.093  -6.596
  125   HD21  LEU  21          3HD2      LEU  21 -10.820   3.393  -6.143
  126   HD22  LEU  21          1HD2      LEU  21 -10.391   2.462  -7.578
  127   HD23  LEU  21          2HD2      LEU  21  -9.361   2.401  -6.146
  128    H    ARG  22           H        ARG  22 -15.022   3.509  -7.260
  129    HA   ARG  22           HA       ARG  22 -16.903   1.981  -8.859
  130    HB2  ARG  22           HB2      ARG  22 -16.952   4.474  -7.708
  131    HB3  ARG  22           HB1      ARG  22 -16.716   4.864  -9.412
  132    HG2  ARG  22           HG2      ARG  22 -18.632   3.331  -9.959
  133    HG3  ARG  22           HG1      ARG  22 -18.927   3.166  -8.228
  134    HD2  ARG  22           HD2      ARG  22 -19.332   5.549  -8.012
  135    HD3  ARG  22           HD1      ARG  22 -18.871   5.820  -9.692
  136    HE   ARG  22           HE       ARG  22 -20.971   3.978  -9.800
  137   HH11  ARG  22          1HH1      ARG  22 -20.923   6.886 -10.828
  138   HH12  ARG  22          2HH1      ARG  22 -22.322   7.525 -10.032
  139   HH21  ARG  22          1HH2      ARG  22 -22.565   4.901  -7.777
  140   HH22  ARG  22          2HH2      ARG  22 -23.253   6.401  -8.304
  141    HA   PRO  23           HA       PRO  23 -14.466   3.893 -12.488
  142    HB2  PRO  23           HB2      PRO  23 -12.127   5.213 -11.895
  143    HB3  PRO  23           HB1      PRO  23 -13.708   6.009 -11.982
  144    HG2  PRO  23           HG2      PRO  23 -12.091   5.307  -9.581
  145    HG3  PRO  23           HG1      PRO  23 -13.308   6.578  -9.779
  146    HD2  PRO  23           HD2      PRO  23 -13.691   4.081  -8.491
  147    HD3  PRO  23           HD1      PRO  23 -14.966   5.229  -8.951
  148    H    GLY  24           H        GLY  24 -11.840   3.695 -13.259
  149    HA2  GLY  24           HA2      GLY  24 -11.233   0.881 -12.615
  150    HA3  GLY  24           HA1      GLY  24 -10.485   1.833 -13.896
  151    H    ALA  25           H        ALA  25 -10.794   2.744 -10.480
  152    HA   ALA  25           HA       ALA  25  -7.888   3.229 -10.389
  153    HB1  ALA  25           HB1      ALA  25  -8.739   3.809  -7.884
  154    HB2  ALA  25           HB2      ALA  25 -10.257   3.991  -8.764
  155    HB3  ALA  25           HB3      ALA  25  -8.851   4.952  -9.224
  156    H    GLN  26           H        GLN  26  -6.435   2.029  -9.118
  157    HA   GLN  26           HA       GLN  26  -7.310  -0.664  -8.403
  158    HB2  GLN  26           HB2      GLN  26  -4.814   0.677  -8.926
  159    HB3  GLN  26           HB1      GLN  26  -4.708  -0.192  -7.394
  160    HG2  GLN  26           HG2      GLN  26  -4.240  -1.980  -8.729
  161    HG3  GLN  26           HG1      GLN  26  -5.992  -2.042  -8.922
  162   HE21  GLN  26          1HE2      GLN  26  -6.475  -2.338 -11.102
  163   HE22  GLN  26          2HE2      GLN  26  -5.680  -1.567 -12.389
  164    H    CYS  27           H        CYS  27  -6.958   2.350  -6.726
  165    HA   CYS  27           HA       CYS  27  -7.903   1.072  -4.269
  166    HB2  CYS  27           HB2      CYS  27  -5.797   0.682  -3.502
  167    HB3  CYS  27           HB1      CYS  27  -5.064   1.781  -4.662
  168    H    GLY  28           H        GLY  28  -8.606   2.621  -2.691
  169    HA2  GLY  28           HA2      GLY  28  -9.062   5.333  -3.846
  170    HA3  GLY  28           HA1      GLY  28 -10.120   4.561  -2.667
  171    H    GLU  29           H        GLU  29  -7.679   3.529  -1.236
  172    HA   GLU  29           HA       GLU  29  -6.462   6.017  -0.215
  173    HB2  GLU  29           HB2      GLU  29  -7.259   5.837   1.968
  174    HB3  GLU  29           HB1      GLU  29  -8.675   5.381   1.031
  175    HG2  GLU  29           HG2      GLU  29  -8.680   3.577   2.438
  176    HG3  GLU  29           HG1      GLU  29  -7.497   2.955   1.287
  177    H    GLY  30           H        GLY  30  -4.409   5.655   0.637
  178    HA2  GLY  30           HA2      GLY  30  -3.230   3.482   1.795
  179    HA3  GLY  30           HA1      GLY  30  -3.229   3.022   0.089
  180    H    LEU  31           H        LEU  31  -0.852   3.612   1.736
  181    HA   LEU  31           HA       LEU  31   0.074   6.276   1.052
  182    HB2  LEU  31           HB2      LEU  31   1.192   3.861   2.353
  183    HB3  LEU  31           HB1      LEU  31   2.354   4.884   1.527
  184    HG   LEU  31           HG       LEU  31   1.738   6.799   2.824
  185   HD11  LEU  31          1HD1      LEU  31  -0.119   6.608   4.525
  186   HD12  LEU  31          2HD1      LEU  31  -0.552   5.065   3.787
  187   HD13  LEU  31          3HD1      LEU  31  -0.664   6.554   2.848
  188   HD21  LEU  31          3HD2      LEU  31   3.113   5.851   4.359
  189   HD22  LEU  31          1HD2      LEU  31   2.381   4.260   4.149
  190   HD23  LEU  31          2HD2      LEU  31   1.638   5.435   5.233
  191    H    CYS  32           H        CYS  32   0.184   3.120  -0.458
  192    HA   CYS  32           HA       CYS  32   2.019   4.123  -2.564
  193    HB2  CYS  32           HB2      CYS  32   2.363   1.855  -1.548
  194    HB3  CYS  32           HB1      CYS  32   0.809   1.364  -2.218
  195    H    CYS  33           H        CYS  33  -0.873   4.969  -2.193
  196    HA   CYS  33           HA       CYS  33  -2.021   3.920  -4.734
  197    HB2  CYS  33           HB2      CYS  33  -3.287   5.525  -2.495
  198    HB3  CYS  33           HB1      CYS  33  -4.129   4.989  -3.948
  199    H    GLU  34           H        GLU  34  -0.624   5.213  -6.106
  200    HA   GLU  34           HA       GLU  34  -0.880   8.149  -5.893
  201    HB2  GLU  34           HB2      GLU  34   0.599   6.526  -7.988
  202    HB3  GLU  34           HB1      GLU  34   0.797   8.243  -7.636
  203    HG2  GLU  34           HG2      GLU  34   1.181   6.367  -5.358
  204    HG3  GLU  34           HG1      GLU  34   2.428   6.361  -6.605
  205    H    GLN  35           H        GLN  35  -2.521   9.144  -6.956
  206    HA   GLN  35           HA       GLN  35  -4.209   9.526  -8.530
  207    HB2  GLN  35           HB2      GLN  35  -2.640   7.512 -10.171
  208    HB3  GLN  35           HB1      GLN  35  -3.929   8.545 -10.785
  209    HG2  GLN  35           HG2      GLN  35  -1.841  10.017  -9.332
  210    HG3  GLN  35           HG1      GLN  35  -1.253   9.203 -10.781
  211   HE21  GLN  35          1HE2      GLN  35  -2.445   9.699 -12.854
  212   HE22  GLN  35          2HE2      GLN  35  -3.222  11.201 -13.016
  213    H    CYS  36           H        CYS  36  -4.412   7.480  -6.465
  214    HA   CYS  36           HA       CYS  36  -5.968   5.857  -5.807
  215    HB2  CYS  36           HB2      CYS  36  -7.137   6.961  -8.305
  216    HB3  CYS  36           HB1      CYS  36  -7.705   5.370  -7.811
  217    H    LYS  37           H        LYS  37  -3.599   5.430  -7.903
  218    HA   LYS  37           HA       LYS  37  -4.391   2.623  -8.565
  219    HB2  LYS  37           HB2      LYS  37  -2.454   4.507  -9.936
  220    HB3  LYS  37           HB1      LYS  37  -2.591   2.793 -10.330
  221    HG2  LYS  37           HG2      LYS  37  -4.835   3.034 -11.082
  222    HG3  LYS  37           HG1      LYS  37  -4.990   4.630 -10.347
  223    HD2  LYS  37           HD2      LYS  37  -4.679   5.004 -12.691
  224    HD3  LYS  37           HD1      LYS  37  -3.142   5.400 -11.922
  225    HE2  LYS  37           HE2      LYS  37  -2.496   4.050 -13.739
  226    HE3  LYS  37           HE1      LYS  37  -2.525   2.918 -12.387
  227    HZ1  LYS  37           HZ1      LYS  37  -4.580   3.294 -14.485
  228    HZ2  LYS  37           HZ2      LYS  37  -4.880   2.430 -13.053
  229    HZ3  LYS  37           HZ3      LYS  37  -3.688   1.894 -14.140
  230    H    PHE  38           H        PHE  38  -2.444   1.102  -8.596
  231    HA   PHE  38           HA       PHE  38  -1.030   1.354  -6.054
  232    HB2  PHE  38           HB2      PHE  38  -1.078  -0.696  -8.263
  233    HB3  PHE  38           HB1      PHE  38   0.119  -0.792  -6.977
  234    HD1  PHE  38           HD2      PHE  38  -2.755   0.780  -5.675
  235    HD2  PHE  38           HD1      PHE  38  -1.243  -3.082  -6.792
  236    HE1  PHE  38           HE2      PHE  38  -4.419  -0.304  -4.195
  237    HE2  PHE  38           HE1      PHE  38  -2.910  -4.164  -5.311
  238    HZ   PHE  38           HZ       PHE  38  -4.500  -2.774  -4.012
  239    H    SER  39           H        SER  39   0.756   2.653  -5.918
  240    HA   SER  39           HA       SER  39   2.250   3.572  -8.170
  241    HB2  SER  39           HB2      SER  39   3.668   3.268  -5.567
  242    HB3  SER  39           HB1      SER  39   3.571   4.666  -6.633
  243    HG   SER  39           HG       SER  39   2.111   4.091  -4.466
  244    H    ARG  40           H        ARG  40   4.923   2.968  -7.759
  245    HA   ARG  40           HA       ARG  40   4.939   0.113  -8.540
  246    HB2  ARG  40           HB2      ARG  40   6.479   2.429  -9.247
  247    HB3  ARG  40           HB1      ARG  40   7.568   1.213  -8.578
  248    HG2  ARG  40           HG2      ARG  40   7.488   0.156 -10.564
  249    HG3  ARG  40           HG1      ARG  40   5.795  -0.212 -10.231
  250    HD2  ARG  40           HD2      ARG  40   6.831   2.285 -11.606
  251    HD3  ARG  40           HD1      ARG  40   6.000   0.941 -12.390
  252    HE   ARG  40           HE       ARG  40   4.692   2.701 -10.351
  253   HH11  ARG  40          1HH2      ARG  40   4.722   2.247 -13.607
  254   HH12  ARG  40          2HH2      ARG  40   3.049   1.829 -13.775
  255   HH21  ARG  40          1HH1      ARG  40   2.513   1.506 -10.366
  256   HH22  ARG  40          2HH1      ARG  40   1.799   1.409 -11.942
  257    H    ALA  41           H        ALA  41   6.659  -1.303  -7.607
  258    HA   ALA  41           HA       ALA  41   6.630  -1.214  -4.722
  259    HB1  ALA  41           HB1      ALA  41   7.652  -3.306  -4.809
  260    HB2  ALA  41           HB2      ALA  41   8.591  -2.899  -6.244
  261    HB3  ALA  41           HB3      ALA  41   6.872  -3.253  -6.389
  262    H    GLY  42           H        GLY  42   8.736  -1.355  -3.447
  263    HA2  GLY  42           HA2      GLY  42  10.808  -0.420  -2.834
  264    HA3  GLY  42           HA1      GLY  42  11.122  -0.152  -4.549
  265    H    LYS  43           H        LYS  43   8.169   1.035  -3.137
  266    HA   LYS  43           HA       LYS  43   9.201   3.815  -3.564
  267    HB2  LYS  43           HB2      LYS  43   7.257   3.504  -4.866
  268    HB3  LYS  43           HB1      LYS  43   6.439   2.613  -3.589
  269    HG2  LYS  43           HG2      LYS  43   5.581   4.505  -2.725
  270    HG3  LYS  43           HG1      LYS  43   7.174   5.257  -2.664
  271    HD2  LYS  43           HD2      LYS  43   6.366   5.122  -5.403
  272    HD3  LYS  43           HD1      LYS  43   5.035   5.812  -4.475
  273    HE2  LYS  43           HE2      LYS  43   6.301   7.630  -3.752
  274    HE3  LYS  43           HE1      LYS  43   7.832   6.782  -3.974
  275    HZ1  LYS  43           HZ1      LYS  43   6.097   7.401  -6.279
  276    HZ2  LYS  43           HZ2      LYS  43   7.768   7.089  -6.254
  277    HZ3  LYS  43           HZ3      LYS  43   7.166   8.567  -5.668
  278    H    ILE  44           H        ILE  44   9.940   4.721  -1.722
  279    HA   ILE  44           HA       ILE  44   9.333   3.877   0.925
  280    HB   ILE  44           HB       ILE  44  11.304   5.215   0.476
  281   HG12  ILE  44          2HG1      ILE  44  10.699   7.265   2.046
  282   HG13  ILE  44          1HG1      ILE  44   9.198   6.372   2.277
  283   HG21  ILE  44          1HG2      ILE  44   9.782   6.556  -1.308
  284   HG22  ILE  44          2HG2      ILE  44  11.297   7.196  -0.670
  285   HG23  ILE  44          3HG2      ILE  44   9.759   7.710   0.025
  286   HD11  ILE  44          3HD1      ILE  44  11.241   4.451   2.471
  287   HD12  ILE  44          1HD1      ILE  44  10.268   5.102   3.791
  288   HD13  ILE  44          2HD1      ILE  44  11.816   5.844   3.387
  289    H    CYS  45           H        CYS  45   7.412   3.977   1.902
  290    HA   CYS  45           HA       CYS  45   5.545   6.185   1.188
  291    HB2  CYS  45           HB2      CYS  45   5.148   3.433   2.346
  292    HB3  CYS  45           HB1      CYS  45   3.897   4.667   2.465
  293    H    ARG  46           H        ARG  46   7.697   5.115   3.585
  294    HA   ARG  46           HA       ARG  46   6.931   7.316   5.327
  295    HB2  ARG  46           HB2      ARG  46   6.139   4.535   5.936
  296    HB3  ARG  46           HB1      ARG  46   6.951   5.379   7.256
  297    HG2  ARG  46           HG2      ARG  46   5.108   7.208   6.087
  298    HG3  ARG  46           HG1      ARG  46   4.250   5.689   6.347
  299    HD2  ARG  46           HD2      ARG  46   4.409   5.833   8.622
  300    HD3  ARG  46           HD1      ARG  46   6.016   6.557   8.564
  301    HE   ARG  46           HE       ARG  46   5.003   8.711   8.439
  302   HH11  ARG  46          1HH1      ARG  46   2.758   6.517   7.184
  303   HH12  ARG  46          2HH1      ARG  46   1.362   7.349   7.782
  304   HH21  ARG  46          1HH2      ARG  46   3.195   9.637   9.637
  305   HH22  ARG  46          2HH2      ARG  46   1.610   9.117   9.172
  306    H    ILE  47           H        ILE  47   8.853   8.155   5.893
  307    HA   ILE  47           HA       ILE  47  11.355   6.906   5.488
  308    HB   ILE  47           HB       ILE  47  10.909   9.379   5.852
  309   HG12  ILE  47          2HG1      ILE  47  13.029   9.057   7.754
  310   HG13  ILE  47          1HG1      ILE  47  13.151   7.762   6.563
  311   HG21  ILE  47          1HG2      ILE  47  10.938   8.498   8.755
  312   HG22  ILE  47          2HG2      ILE  47   9.529   9.107   7.888
  313   HG23  ILE  47          3HG2      ILE  47  10.908  10.166   8.184
  314   HD11  ILE  47          3HD1      ILE  47  13.159   9.347   4.739
  315   HD12  ILE  47          1HD1      ILE  47  14.373   9.865   5.910
  316   HD13  ILE  47          2HD1      ILE  47  12.812  10.683   5.838
  317    H    ALA  48           H        ALA  48  12.742   5.755   6.871
  318    HA   ALA  48           HA       ALA  48  11.479   4.217   8.974
  319    HB1  ALA  48           HB1      ALA  48  13.469   3.526   7.476
  320    HB2  ALA  48           HB2      ALA  48  13.561   3.097   9.185
  321    HB3  ALA  48           HB3      ALA  48  14.462   4.485   8.575
  322    H    ARG  49           H        ARG  49  11.314   4.760  11.110
  323    HA   ARG  49           HA       ARG  49  12.230   7.340  12.033
  324    HB2  ARG  49           HB2      ARG  49  11.310   5.005  13.732
  325    HB3  ARG  49           HB1      ARG  49  11.280   6.715  14.164
  326    HG2  ARG  49           HG2      ARG  49   9.742   5.533  11.836
  327    HG3  ARG  49           HG1      ARG  49   9.046   5.826  13.430
  328    HD2  ARG  49           HD2      ARG  49   9.595   8.220  13.237
  329    HD3  ARG  49           HD1      ARG  49  10.304   7.933  11.647
  330    HE   ARG  49           HE       ARG  49   7.667   6.940  11.542
  331   HH11  ARG  49          1HH2      ARG  49   9.393   9.900  11.960
  332   HH12  ARG  49          2HH2      ARG  49   8.103  10.888  11.362
  333   HH21  ARG  49          1HH1      ARG  49   5.957   8.219  10.806
  334   HH22  ARG  49          2HH1      ARG  49   6.159   9.937  10.708
  335    H    GLY  50           H        GLY  50  14.546   6.657  11.246
  336    HA2  GLY  50           HA2      GLY  50  16.463   6.770  13.086
  337    HA3  GLY  50           HA1      GLY  50  15.984   5.088  13.310
  338    H    ASP  51           H        ASP  51  17.641   3.926  12.398
  339    HA   ASP  51           HA       ASP  51  18.670   4.808   9.752
  340    HB2  ASP  51           HB2      ASP  51  19.828   3.404  12.063
  341    HB3  ASP  51           HB1      ASP  51  20.299   2.748  10.495
  342    H    TRP  52           H        TRP  52  17.474   1.879  11.373
  343    HA   TRP  52           HA       TRP  52  17.716  -0.057   9.468
  344    HB2  TRP  52           HB2      TRP  52  15.223  -0.671  10.119
  345    HB3  TRP  52           HB1      TRP  52  16.527  -0.819  11.294
  346    HD1  TRP  52           HD       TRP  52  13.510   1.324  10.404
  347    HE1  TRP  52           HE1      TRP  52  12.963   2.860  12.401
  348    HE3  TRP  52           HE3      TRP  52  17.569   0.406  13.356
  349    HZ2  TRP  52           HZ2      TRP  52  14.097   3.596  14.923
  350    HZ3  TRP  52           HZ3      TRP  52  17.813   1.535  15.548
  351    HH2  TRP  52           HH       TRP  52  16.084   3.129  16.333
  352    H    ASN  53           H        ASN  53  16.237  -0.875   7.783
  353    HA   ASN  53           HA       ASN  53  15.829   0.873   5.663
  354    HB2  ASN  53           HB2      ASN  53  15.613  -1.723   5.788
  355    HB3  ASN  53           HB1      ASN  53  13.912  -1.401   6.121
  356   HD21  ASN  53          1HD2      ASN  53  16.206  -1.735   3.604
  357   HD22  ASN  53          2HD2      ASN  53  15.259  -1.108   2.342
  358    H    ASP  54           H        ASP  54  13.474   1.215   4.682
  359    HA   ASP  54           HA       ASP  54  11.812   2.477   6.829
  360    HB2  ASP  54           HB2      ASP  54  11.737   3.409   3.979
  361    HB3  ASP  54           HB1      ASP  54  11.440   4.324   5.458
  362    H    ASP  55           H        ASP  55   9.904   3.046   4.421
  363    HA   ASP  55           HA       ASP  55   8.780   0.278   4.247
  364    HB2  ASP  55           HB2      ASP  55   7.089   2.781   4.343
  365    HB3  ASP  55           HB1      ASP  55   6.583   1.110   4.597
  366    H    ARG  56           H        ARG  56   9.265  -0.224   2.130
  367    HA   ARG  56           HA       ARG  56   8.759   1.843   0.052
  368    HB2  ARG  56           HB2      ARG  56  10.126  -0.833  -0.277
  369    HB3  ARG  56           HB1      ARG  56  10.131   0.518  -1.410
  370    HG2  ARG  56           HG2      ARG  56  11.058   1.720   0.871
  371    HG3  ARG  56           HG1      ARG  56  11.749   0.102   1.017
  372    HD2  ARG  56           HD2      ARG  56  12.553   0.335  -1.373
  373    HD3  ARG  56           HD1      ARG  56  12.061   2.027  -1.299
  374    HE   ARG  56           HE       ARG  56  13.925   1.080   0.799
  375   HH11  ARG  56          1HH2      ARG  56  14.961   1.265  -2.136
  376   HH12  ARG  56          2HH2      ARG  56  15.708   2.826  -2.090
  377   HH21  ARG  56          1HH1      ARG  56  14.171   3.766   0.874
  378   HH22  ARG  56          2HH1      ARG  56  15.261   4.244  -0.384
  379    H    CYS  57           H        CYS  57   7.153   1.570  -1.477
  380    HA   CYS  57           HA       CYS  57   4.959  -0.126  -1.029
  381    HB2  CYS  57           HB2      CYS  57   5.011   1.819  -2.639
  382    HB3  CYS  57           HB1      CYS  57   5.908   0.796  -3.751
  383    H    THR  58           H        THR  58   4.406  -2.182  -1.818
  384    HA   THR  58           HA       THR  58   6.660  -3.936  -2.435
  385    HB   THR  58           HB       THR  58   4.229  -5.340  -2.749
  386    HG1  THR  58           HG1      THR  58   4.212  -3.615  -0.501
  387   HG21  THR  58          3HG2      THR  58   5.049  -5.793  -0.158
  388   HG22  THR  58          1HG2      THR  58   6.523  -5.193  -0.920
  389   HG23  THR  58          2HG2      THR  58   5.700  -6.606  -1.582
  390    H    GLY  59           H        GLY  59   4.209  -2.261  -4.220
  391    HA2  GLY  59           HA2      GLY  59   4.626  -1.998  -6.658
  392    HA3  GLY  59           HA1      GLY  59   5.116  -3.693  -6.684
  393    H    GLN  60           H        GLN  60   2.867  -4.336  -4.782
  394    HA   GLN  60           HA       GLN  60   0.543  -3.960  -6.608
  395    HB2  GLN  60           HB2      GLN  60   1.100  -6.616  -5.289
  396    HB3  GLN  60           HB1      GLN  60   0.021  -6.264  -6.640
  397    HG2  GLN  60           HG2      GLN  60   1.814  -5.989  -8.155
  398    HG3  GLN  60           HG1      GLN  60   2.993  -5.797  -6.858
  399   HE21  GLN  60          1HE2      GLN  60   3.403  -7.804  -5.490
  400   HE22  GLN  60          2HE2      GLN  60   3.247  -9.326  -6.228
  401    H    SER  61           H        SER  61   1.728  -3.398  -3.642
  402    HA   SER  61           HA       SER  61  -0.892  -3.949  -2.298
  403    HB2  SER  61           HB2      SER  61   1.195  -5.061  -1.349
  404    HB3  SER  61           HB1      SER  61   1.758  -3.447  -0.926
  405    HG   SER  61           HG       SER  61  -0.176  -3.199   0.285
  406    H    ALA  62           H        ALA  62  -2.036  -2.052  -2.494
  407    HA   ALA  62           HA       ALA  62  -1.017   0.549  -2.780
  408    HB1  ALA  62           HB1      ALA  62  -3.582  -0.638  -1.952
  409    HB2  ALA  62           HB2      ALA  62  -3.270   0.719  -3.034
  410    HB3  ALA  62           HB3      ALA  62  -3.293   0.970  -1.288
  411    H    ASP  63           H        ASP  63  -1.698  -1.273   0.190
  412    HA   ASP  63           HA       ASP  63  -0.820   0.953   1.890
  413    HB2  ASP  63           HB2      ASP  63  -1.456  -1.943   2.552
  414    HB3  ASP  63           HB1      ASP  63  -1.141  -0.677   3.740
  415    H    CYS  64           H        CYS  64   1.323   1.374   1.514
  416    HA   CYS  64           HA       CYS  64   3.383  -0.411   0.898
  417    HB2  CYS  64           HB2      CYS  64   3.241   2.238   2.263
  418    HB3  CYS  64           HB1      CYS  64   4.760   1.353   2.354
  419    HA   PRO  65           HA       PRO  65   3.723  -2.852   4.510
  420    HB2  PRO  65           HB2      PRO  65   6.008  -4.132   3.723
  421    HB3  PRO  65           HB1      PRO  65   4.409  -4.543   3.105
  422    HG2  PRO  65           HG2      PRO  65   6.644  -3.106   1.772
  423    HG3  PRO  65           HG1      PRO  65   5.311  -4.023   1.051
  424    HD2  PRO  65           HD2      PRO  65   5.491  -1.204   1.225
  425    HD3  PRO  65           HD1      PRO  65   4.047  -2.143   0.791
  426    H    ARG  66           H        ARG  66   5.146  -3.038   6.369
  427    HA   ARG  66           HA       ARG  66   6.955  -0.714   6.667
  428    HB2  ARG  66           HB2      ARG  66   5.429  -2.493   8.480
  429    HB3  ARG  66           HB1      ARG  66   6.997  -1.960   9.087
  430    HG2  ARG  66           HG2      ARG  66   5.970   0.362   8.014
  431    HG3  ARG  66           HG1      ARG  66   4.532  -0.416   8.677
  432    HD2  ARG  66           HD2      ARG  66   6.284  -0.838  10.708
  433    HD3  ARG  66           HD1      ARG  66   6.898   0.690  10.079
  434    HE   ARG  66           HE       ARG  66   4.474   1.513  10.348
  435   HH11  ARG  66          1HH1      ARG  66   6.319   0.653  12.835
  436   HH12  ARG  66          2HH1      ARG  66   5.064   0.110  13.898
  437   HH21  ARG  66          1HH2      ARG  66   2.629   0.071  11.432
  438   HH22  ARG  66          2HH2      ARG  66   2.974  -0.219  13.104
  439    H    ASN  67           H        ASN  67   8.826  -1.380   5.521
  440    HA   ASN  67           HA       ASN  67  10.051  -3.979   6.163
  441    HB2  ASN  67           HB2      ASN  67  10.343  -1.948   4.092
  442    HB3  ASN  67           HB1      ASN  67  11.907  -2.473   4.717
  443   HD21  ASN  67          1HD2      ASN  67  11.282  -3.198   2.097
  444   HD22  ASN  67          2HD2      ASN  67  10.941  -4.859   2.017
  445    H    GLY  68           H        GLY  68   9.794  -1.344   7.946
  446    HA2  GLY  68           HA2      GLY  68  12.574  -0.771   8.597
  447    HA3  GLY  68           HA1      GLY  68  11.165  -0.212   9.498
  448    H    LEU  69           H        LEU  69  12.505  -0.815  11.417
  449    HA   LEU  69           HA       LEU  69  12.822  -3.723  11.869
  450    HB2  LEU  69           HB2      LEU  69  13.847  -1.230  13.132
  451    HB3  LEU  69           HB1      LEU  69  13.614  -2.616  14.199
  452    HG   LEU  69           HG       LEU  69  15.122  -2.787  11.579
  453   HD11  LEU  69          1HD1      LEU  69  17.176  -2.711  12.943
  454   HD12  LEU  69          2HD1      LEU  69  16.208  -2.426  14.390
  455   HD13  LEU  69          3HD1      LEU  69  16.260  -1.213  13.110
  456   HD21  LEU  69          3HD2      LEU  69  14.198  -4.674  13.563
  457   HD22  LEU  69          1HD2      LEU  69  15.961  -4.685  13.503
  458   HD23  LEU  69          2HD2      LEU  69  15.028  -4.992  12.039
  459    H    TYR  70           H        TYR  70  10.163  -3.091  11.612
  460    HA   TYR  70           HA       TYR  70   9.193  -3.517  14.391
  461    HB2  TYR  70           HB2      TYR  70   7.811  -1.629  12.468
  462    HB3  TYR  70           HB1      TYR  70   7.441  -1.891  14.174
  463    HD1  TYR  70           HD2      TYR  70   9.250  -1.329  15.903
  464    HD2  TYR  70           HD1      TYR  70   9.400  -0.003  11.820
  465    HE1  TYR  70           HE2      TYR  70  10.883   0.428  16.533
  466    HE2  TYR  70           HE1      TYR  70  11.034   1.753  12.450
  467    HH   TYR  70           HH       TYR  70  12.132   2.114  15.826
  468    H    GLY  71           H        GLY  71   8.323  -5.533  14.216
  469    HA2  GLY  71           HA2      GLY  71   6.327  -6.804  13.524
  470    HA3  GLY  71           HA1      GLY  71   6.438  -6.017  11.949
  Start of MODEL    4
    1    H    GLY   1           HT1      GLY   1 -17.081  -9.911   5.359
    2    HA2  GLY   1           HA1      GLY   1 -16.925 -11.082   2.806
    3    HA3  GLY   1           HA2      GLY   1 -17.902  -9.710   3.329
    4    H    LYS   2           H        LYS   2 -15.448 -10.606   1.255
    5    HA   LYS   2           HA       LYS   2 -13.811  -8.212   1.358
    6    HB2  LYS   2           HB2      LYS   2 -13.784 -10.700  -0.032
    7    HB3  LYS   2           HB1      LYS   2 -13.753  -9.416  -1.241
    8    HG2  LYS   2           HG2      LYS   2 -11.956  -9.288   1.173
    9    HG3  LYS   2           HG1      LYS   2 -11.489 -10.226  -0.246
   10    HD2  LYS   2           HD2      LYS   2 -10.616  -8.234  -0.941
   11    HD3  LYS   2           HD1      LYS   2 -12.279  -7.921  -1.440
   12    HE2  LYS   2           HE2      LYS   2 -12.727  -6.586   0.439
   13    HE3  LYS   2           HE1      LYS   2 -11.387  -7.269   1.360
   14    HZ1  LYS   2           HZ1      LYS   2  -9.829  -6.122   0.024
   15    HZ2  LYS   2           HZ2      LYS   2 -11.011  -4.983   0.468
   16    HZ3  LYS   2           HZ3      LYS   2 -11.014  -5.651  -1.095
   17    H    GLU   3           H        GLU   3 -15.414  -6.502   1.287
   18    HA   GLU   3           HA       GLU   3 -16.268  -5.899  -1.487
   19    HB2  GLU   3           HB2      GLU   3 -18.109  -7.081   0.017
   20    HB3  GLU   3           HB1      GLU   3 -18.287  -5.454   0.677
   21    HG2  GLU   3           HG2      GLU   3 -18.882  -4.541  -1.421
   22    HG3  GLU   3           HG1      GLU   3 -18.271  -5.943  -2.300
   23    H    CYS   4           H        CYS   4 -14.568  -4.875   1.032
   24    HA   CYS   4           HA       CYS   4 -15.319  -2.012   0.572
   25    HB2  CYS   4           HB2      CYS   4 -14.591  -3.374   3.179
   26    HB3  CYS   4           HB1      CYS   4 -14.580  -1.626   2.977
   27    H    ASP   5           H        ASP   5 -13.620  -1.654  -0.883
   28    HA   ASP   5           HA       ASP   5 -10.861  -2.346  -0.018
   29    HB2  ASP   5           HB2      ASP   5 -12.096  -2.442  -2.492
   30    HB3  ASP   5           HB1      ASP   5 -11.188  -0.933  -2.576
   31    H    CYS   6           H        CYS   6 -12.754  -0.041   0.912
   32    HA   CYS   6           HA       CYS   6 -10.624   1.948   1.126
   33    HB2  CYS   6           HB2      CYS   6 -11.339   2.685  -0.995
   34    HB3  CYS   6           HB1      CYS   6 -13.030   2.347  -0.643
   35    H    SER   7           H        SER   7 -10.815   2.605   3.209
   36    HA   SER   7           HA       SER   7 -13.424   2.348   4.575
   37    HB2  SER   7           HB2      SER   7 -10.808   1.935   5.393
   38    HB3  SER   7           HB1      SER   7 -11.211   3.486   6.125
   39    HG   SER   7           HG       SER   7 -12.725   1.085   6.297
   40    H    SER   8           H        SER   8 -11.893   4.701   2.788
   41    HA   SER   8           HA       SER   8 -12.739   6.965   4.481
   42    HB2  SER   8           HB2      SER   8 -11.894   8.250   2.367
   43    HB3  SER   8           HB1      SER   8 -10.718   7.463   3.415
   44    HG   SER   8           HG       SER   8 -10.371   6.939   1.224
   45    HA   PRO   9           HA       PRO   9 -16.651   6.820   2.283
   46    HB2  PRO   9           HB2      PRO   9 -17.898   8.625   3.941
   47    HB3  PRO   9           HB1      PRO   9 -17.710   6.907   4.332
   48    HG2  PRO   9           HG2      PRO   9 -16.242   9.256   5.438
   49    HG3  PRO   9           HG1      PRO   9 -16.560   7.679   6.181
   50    HD2  PRO   9           HD2      PRO   9 -14.117   8.495   5.011
   51    HD3  PRO   9           HD1      PRO   9 -14.559   6.831   5.450
   52    H    GLU  10           H        GLU  10 -15.079   9.830   3.382
   53    HA   GLU  10           HA       GLU  10 -16.432  11.527   1.475
   54    HB2  GLU  10           HB2      GLU  10 -14.543  11.841   3.599
   55    HB3  GLU  10           HB1      GLU  10 -13.872  12.604   2.157
   56    HG2  GLU  10           HG2      GLU  10 -16.754  13.095   2.749
   57    HG3  GLU  10           HG1      GLU  10 -15.566  13.902   3.773
   58    H    ASN  11           H        ASN  11 -13.930   9.227   1.203
   59    HA   ASN  11           HA       ASN  11 -12.479  10.435  -0.993
   60    HB2  ASN  11           HB2      ASN  11 -11.532   8.650   0.468
   61    HB3  ASN  11           HB1      ASN  11 -12.692   7.511  -0.217
   62   HD21  ASN  11          1HD2      ASN  11 -10.998   6.214  -1.225
   63   HD22  ASN  11          2HD2      ASN  11 -10.131   6.781  -2.569
   64    HA   PRO  12           HA       PRO  12 -15.707   9.461  -3.931
   65    HB2  PRO  12           HB2      PRO  12 -14.494  10.723  -6.050
   66    HB3  PRO  12           HB1      PRO  12 -15.414  11.574  -4.796
   67    HG2  PRO  12           HG2      PRO  12 -12.462  11.443  -5.194
   68    HG3  PRO  12           HG1      PRO  12 -13.434  12.702  -4.415
   69    HD2  PRO  12           HD2      PRO  12 -11.918  10.714  -3.085
   70    HD3  PRO  12           HD1      PRO  12 -13.141  11.767  -2.343
   71    H    CYS  13           H        CYS  13 -12.352   8.570  -4.080
   72    HA   CYS  13           HA       CYS  13 -12.394   7.132  -6.565
   73    HB2  CYS  13           HB2      CYS  13 -10.393   7.815  -4.959
   74    HB3  CYS  13           HB1      CYS  13 -10.679   6.210  -4.296
   75    H    CYS  14           H        CYS  14 -13.693   6.413  -3.438
   76    HA   CYS  14           HA       CYS  14 -14.196   3.618  -4.374
   77    HB2  CYS  14           HB2      CYS  14 -14.366   3.131  -1.844
   78    HB3  CYS  14           HB1      CYS  14 -12.756   3.379  -2.521
   79    H    ASP  15           H        ASP  15 -16.272   2.834  -4.149
   80    HA   ASP  15           HA       ASP  15 -18.404   4.804  -3.820
   81    HB2  ASP  15           HB2      ASP  15 -18.318   2.698  -5.385
   82    HB3  ASP  15           HB1      ASP  15 -18.835   1.826  -3.939
   83    H    ALA  16           H        ALA  16 -19.679   5.056  -1.991
   84    HA   ALA  16           HA       ALA  16 -18.716   3.951   0.506
   85    HB1  ALA  16           HB1      ALA  16 -20.492   6.031  -0.317
   86    HB2  ALA  16           HB2      ALA  16 -19.846   5.728   1.296
   87    HB3  ALA  16           HB3      ALA  16 -21.367   4.984   0.800
   88    H    ALA  17           H        ALA  17 -21.601   3.365  -1.504
   89    HA   ALA  17           HA       ALA  17 -22.860   1.481   0.206
   90    HB1  ALA  17           HB1      ALA  17 -23.385   2.549  -2.295
   91    HB2  ALA  17           HB2      ALA  17 -24.348   1.309  -1.494
   92    HB3  ALA  17           HB3      ALA  17 -23.097   0.846  -2.647
   93    H    THR  18           H        THR  18 -20.419   1.004  -2.347
   94    HA   THR  18           HA       THR  18 -20.169  -1.832  -1.452
   95    HB   THR  18           HB       THR  18 -19.063  -2.244  -3.591
   96    HG1  THR  18           HG1      THR  18 -19.033  -0.404  -5.074
   97   HG21  THR  18          3HG2      THR  18 -21.453  -0.516  -4.215
   98   HG22  THR  18          1HG2      THR  18 -21.632  -2.047  -3.358
   99   HG23  THR  18          2HG2      THR  18 -20.954  -2.022  -4.987
  100    H    CYS  19           H        CYS  19 -18.894   0.961  -0.567
  101    HA   CYS  19           HA       CYS  19 -16.716   1.750  -0.007
  102    HB2  CYS  19           HB2      CYS  19 -15.592  -0.210   1.414
  103    HB3  CYS  19           HB1      CYS  19 -16.958   0.706   2.025
  104    H    LYS  20           H        LYS  20 -16.717   0.612  -2.668
  105    HA   LYS  20           HA       LYS  20 -13.889  -0.350  -2.688
  106    HB2  LYS  20           HB2      LYS  20 -16.157  -1.486  -4.350
  107    HB3  LYS  20           HB1      LYS  20 -14.454  -1.922  -4.514
  108    HG2  LYS  20           HG2      LYS  20 -15.186  -2.148  -1.751
  109    HG3  LYS  20           HG1      LYS  20 -16.370  -3.025  -2.719
  110    HD2  LYS  20           HD2      LYS  20 -13.464  -3.354  -3.363
  111    HD3  LYS  20           HD1      LYS  20 -14.127  -4.209  -1.970
  112    HE2  LYS  20           HE2      LYS  20 -14.427  -5.728  -3.754
  113    HE3  LYS  20           HE1      LYS  20 -16.007  -4.963  -3.581
  114    HZ1  LYS  20           HZ1      LYS  20 -14.130  -3.619  -5.340
  115    HZ2  LYS  20           HZ2      LYS  20 -15.800  -3.878  -5.522
  116    HZ3  LYS  20           HZ3      LYS  20 -14.698  -5.120  -5.888
  117    H    LEU  21           H        LEU  21 -13.056  -0.234  -5.076
  118    HA   LEU  21           HA       LEU  21 -13.176   2.486  -5.906
  119    HB2  LEU  21           HB2      LEU  21 -12.215  -0.032  -7.273
  120    HB3  LEU  21           HB1      LEU  21 -12.099   1.553  -8.040
  121    HG   LEU  21           HG       LEU  21 -11.150   1.810  -5.360
  122   HD11  LEU  21          1HD1      LEU  21 -10.835  -0.706  -5.617
  123   HD12  LEU  21          2HD1      LEU  21  -9.371   0.209  -5.255
  124   HD13  LEU  21          3HD1      LEU  21  -9.682  -0.342  -6.902
  125   HD21  LEU  21          3HD2      LEU  21 -10.361   2.351  -8.103
  126   HD22  LEU  21          1HD2      LEU  21  -8.975   1.854  -7.133
  127   HD23  LEU  21          2HD2      LEU  21  -9.950   3.236  -6.635
  128    H    ARG  22           H        ARG  22 -14.875   3.487  -6.845
  129    HA   ARG  22           HA       ARG  22 -17.043   2.002  -8.080
  130    HB2  ARG  22           HB2      ARG  22 -16.692   4.593  -7.039
  131    HB3  ARG  22           HB1      ARG  22 -17.033   4.820  -8.755
  132    HG2  ARG  22           HG2      ARG  22 -18.737   2.774  -7.549
  133    HG3  ARG  22           HG1      ARG  22 -18.926   4.346  -6.773
  134    HD2  ARG  22           HD2      ARG  22 -19.156   5.346  -9.095
  135    HD3  ARG  22           HD1      ARG  22 -19.244   3.697  -9.712
  136    HE   ARG  22           HE       ARG  22 -21.164   4.359  -7.576
  137   HH11  ARG  22          1HH2      ARG  22 -20.950   2.434 -10.154
  138   HH12  ARG  22          2HH2      ARG  22 -22.371   2.977 -10.981
  139   HH21  ARG  22          1HH1      ARG  22 -22.793   5.773  -8.972
  140   HH22  ARG  22          2HH1      ARG  22 -23.416   4.869 -10.312
  141    HA   PRO  23           HA       PRO  23 -15.245   3.867 -12.098
  142    HB2  PRO  23           HB2      PRO  23 -12.858   5.218 -11.912
  143    HB3  PRO  23           HB1      PRO  23 -14.439   5.998 -11.743
  144    HG2  PRO  23           HG2      PRO  23 -12.440   5.331  -9.635
  145    HG3  PRO  23           HG1      PRO  23 -13.678   6.597  -9.646
  146    HD2  PRO  23           HD2      PRO  23 -13.836   4.125  -8.276
  147    HD3  PRO  23           HD1      PRO  23 -15.178   5.255  -8.552
  148    H    GLY  24           H        GLY  24 -12.587   3.815 -13.112
  149    HA2  GLY  24           HA2      GLY  24 -11.908   0.969 -12.601
  150    HA3  GLY  24           HA1      GLY  24 -11.391   1.911 -14.000
  151    H    ALA  25           H        ALA  25 -11.185   2.855 -10.581
  152    HA   ALA  25           HA       ALA  25  -8.333   3.460 -10.950
  153    HB1  ALA  25           HB1      ALA  25  -9.111   5.118  -9.597
  154    HB2  ALA  25           HB2      ALA  25  -8.846   3.942  -8.309
  155    HB3  ALA  25           HB3      ALA  25 -10.453   4.138  -9.008
  156    H    GLN  26           H        GLN  26  -6.644   2.479  -9.686
  157    HA   GLN  26           HA       GLN  26  -7.038  -0.339  -9.161
  158    HB2  GLN  26           HB2      GLN  26  -4.694   1.405  -8.352
  159    HB3  GLN  26           HB1      GLN  26  -4.693  -0.345  -8.556
  160    HG2  GLN  26           HG2      GLN  26  -5.259   1.656 -10.764
  161    HG3  GLN  26           HG1      GLN  26  -3.723   0.818 -10.529
  162   HE21  GLN  26          1HE2      GLN  26  -3.533  -1.258 -11.436
  163   HE22  GLN  26          2HE2      GLN  26  -4.825  -2.127 -12.109
  164    H    CYS  27           H        CYS  27  -6.100   2.354  -6.975
  165    HA   CYS  27           HA       CYS  27  -7.490   0.863  -4.787
  166    HB2  CYS  27           HB2      CYS  27  -5.252   0.612  -4.158
  167    HB3  CYS  27           HB1      CYS  27  -4.775   2.157  -4.848
  168    H    GLY  28           H        GLY  28  -8.895   2.082  -3.570
  169    HA2  GLY  28           HA2      GLY  28  -9.568   4.743  -4.507
  170    HA3  GLY  28           HA1      GLY  28 -10.348   3.890  -3.179
  171    H    GLU  29           H        GLU  29  -8.143   3.388  -1.535
  172    HA   GLU  29           HA       GLU  29  -6.847   6.006  -1.047
  173    HB2  GLU  29           HB2      GLU  29  -8.997   6.054   0.209
  174    HB3  GLU  29           HB1      GLU  29  -8.503   4.592   1.062
  175    HG2  GLU  29           HG2      GLU  29  -6.499   5.784   1.912
  176    HG3  GLU  29           HG1      GLU  29  -7.046   7.251   1.098
  177    H    GLY  30           H        GLY  30  -4.875   5.795   0.033
  178    HA2  GLY  30           HA2      GLY  30  -3.917   3.857   1.721
  179    HA3  GLY  30           HA1      GLY  30  -3.741   3.096   0.141
  180    H    LEU  31           H        LEU  31  -1.386   3.418   1.247
  181    HA   LEU  31           HA       LEU  31  -0.269   6.093   0.765
  182    HB2  LEU  31           HB2      LEU  31   0.608   3.591   2.048
  183    HB3  LEU  31           HB1      LEU  31   1.884   4.431   1.168
  184    HG   LEU  31           HG       LEU  31   1.414   6.496   2.395
  185   HD11  LEU  31          1HD1      LEU  31  -1.083   5.278   2.840
  186   HD12  LEU  31          2HD1      LEU  31  -0.541   6.835   3.467
  187   HD13  LEU  31          3HD1      LEU  31  -0.324   5.373   4.430
  188   HD21  LEU  31          3HD2      LEU  31   1.530   4.999   4.803
  189   HD22  LEU  31          1HD2      LEU  31   2.885   5.668   3.891
  190   HD23  LEU  31          2HD2      LEU  31   2.329   4.025   3.567
  191    H    CYS  32           H        CYS  32  -0.163   2.890  -0.763
  192    HA   CYS  32           HA       CYS  32   1.702   3.838  -2.829
  193    HB2  CYS  32           HB2      CYS  32   0.170   1.276  -3.082
  194    HB3  CYS  32           HB1      CYS  32   1.835   1.627  -3.533
  195    H    CYS  33           H        CYS  33  -1.561   4.218  -2.299
  196    HA   CYS  33           HA       CYS  33  -2.503   3.814  -5.024
  197    HB2  CYS  33           HB2      CYS  33  -3.887   5.558  -3.004
  198    HB3  CYS  33           HB1      CYS  33  -4.599   4.520  -4.237
  199    H    GLU  34           H        GLU  34  -0.934   5.109  -6.200
  200    HA   GLU  34           HA       GLU  34  -0.985   8.029  -5.737
  201    HB2  GLU  34           HB2      GLU  34   1.016   6.360  -6.567
  202    HB3  GLU  34           HB1      GLU  34   0.413   6.952  -8.115
  203    HG2  GLU  34           HG2      GLU  34   1.875   8.664  -7.657
  204    HG3  GLU  34           HG1      GLU  34   0.476   9.282  -6.779
  205    H    GLN  35           H        GLN  35  -2.643   9.130  -6.670
  206    HA   GLN  35           HA       GLN  35  -4.243   9.763  -8.261
  207    HB2  GLN  35           HB2      GLN  35  -1.970   9.088  -9.724
  208    HB3  GLN  35           HB1      GLN  35  -3.249   8.131 -10.475
  209    HG2  GLN  35           HG2      GLN  35  -4.428  10.624 -10.039
  210    HG3  GLN  35           HG1      GLN  35  -2.796  11.007 -10.587
  211   HE21  GLN  35          1HE2      GLN  35  -5.342  11.327 -12.116
  212   HE22  GLN  35          2HE2      GLN  35  -5.164  10.379 -13.514
  213    H    CYS  36           H        CYS  36  -4.634   7.484  -6.582
  214    HA   CYS  36           HA       CYS  36  -6.174   5.747  -6.316
  215    HB2  CYS  36           HB2      CYS  36  -7.123   6.978  -8.895
  216    HB3  CYS  36           HB1      CYS  36  -7.823   5.481  -8.302
  217    H    LYS  37           H        LYS  37  -3.568   5.569  -8.029
  218    HA   LYS  37           HA       LYS  37  -4.228   2.944  -9.298
  219    HB2  LYS  37           HB2      LYS  37  -2.281   5.115 -10.023
  220    HB3  LYS  37           HB1      LYS  37  -1.918   3.446 -10.465
  221    HG2  LYS  37           HG2      LYS  37  -4.684   4.167 -11.063
  222    HG3  LYS  37           HG1      LYS  37  -3.528   5.195 -11.910
  223    HD2  LYS  37           HD2      LYS  37  -2.465   2.611 -12.118
  224    HD3  LYS  37           HD1      LYS  37  -4.197   2.409 -12.391
  225    HE2  LYS  37           HE2      LYS  37  -3.797   3.095 -14.508
  226    HE3  LYS  37           HE1      LYS  37  -3.591   4.707 -13.824
  227    HZ1  LYS  37           HZ1      LYS  37  -1.394   2.728 -14.029
  228    HZ2  LYS  37           HZ2      LYS  37  -1.268   4.376 -13.635
  229    HZ3  LYS  37           HZ3      LYS  37  -1.700   3.906 -15.209
  230    H    PHE  38           H        PHE  38  -2.495   1.291  -9.080
  231    HA   PHE  38           HA       PHE  38  -1.459   1.251  -6.352
  232    HB2  PHE  38           HB2      PHE  38  -1.527  -0.635  -8.666
  233    HB3  PHE  38           HB1      PHE  38  -0.289  -0.896  -7.442
  234    HD1  PHE  38           HD1      PHE  38  -3.744   0.455  -7.027
  235    HD2  PHE  38           HD2      PHE  38  -1.037  -2.785  -6.248
  236    HE1  PHE  38           HE1      PHE  38  -5.431  -0.601  -5.551
  237    HE2  PHE  38           HE2      PHE  38  -2.724  -3.839  -4.767
  238    HZ   PHE  38           HZ       PHE  38  -4.924  -2.747  -4.420
  239    H    SER  39           H        SER  39   0.385   2.382  -5.861
  240    HA   SER  39           HA       SER  39   2.255   3.325  -7.802
  241    HB2  SER  39           HB2      SER  39   2.294   2.977  -4.823
  242    HB3  SER  39           HB1      SER  39   3.818   3.295  -5.647
  243    HG   SER  39           HG       SER  39   3.164   5.294  -5.555
  244    H    ARG  40           H        ARG  40   4.594   2.521  -7.930
  245    HA   ARG  40           HA       ARG  40   4.530  -0.365  -8.405
  246    HB2  ARG  40           HB2      ARG  40   6.081   1.853  -9.321
  247    HB3  ARG  40           HB1      ARG  40   7.189   0.686  -8.599
  248    HG2  ARG  40           HG2      ARG  40   5.113  -0.556 -10.267
  249    HG3  ARG  40           HG1      ARG  40   6.179   0.528 -11.162
  250    HD2  ARG  40           HD2      ARG  40   8.043  -0.771 -10.792
  251    HD3  ARG  40           HD1      ARG  40   7.459  -1.349  -9.231
  252    HE   ARG  40           HE       ARG  40   5.750  -2.440 -11.198
  253   HH11  ARG  40          1HH1      ARG  40   8.982  -2.280 -11.797
  254   HH12  ARG  40          2HH1      ARG  40   9.298  -3.980 -11.690
  255   HH21  ARG  40          1HH2      ARG  40   6.174  -4.747 -10.395
  256   HH22  ARG  40          2HH2      ARG  40   7.708  -5.376 -10.896
  257    H    ALA  41           H        ALA  41   6.356  -1.759  -7.516
  258    HA   ALA  41           HA       ALA  41   6.394  -1.569  -4.626
  259    HB1  ALA  41           HB1      ALA  41   8.442  -3.281  -5.891
  260    HB2  ALA  41           HB2      ALA  41   6.795  -3.608  -6.428
  261    HB3  ALA  41           HB3      ALA  41   7.198  -3.702  -4.714
  262    H    GLY  42           H        GLY  42   8.490  -1.517  -3.377
  263    HA2  GLY  42           HA2      GLY  42  10.539  -0.454  -2.880
  264    HA3  GLY  42           HA1      GLY  42  10.814  -0.313  -4.618
  265    H    LYS  43           H        LYS  43   7.779   0.807  -3.428
  266    HA   LYS  43           HA       LYS  43   8.550   3.569  -4.157
  267    HB2  LYS  43           HB2      LYS  43   6.458   3.479  -5.006
  268    HB3  LYS  43           HB1      LYS  43   6.090   2.008  -4.118
  269    HG2  LYS  43           HG2      LYS  43   4.529   3.670  -3.357
  270    HG3  LYS  43           HG1      LYS  43   5.705   3.489  -2.068
  271    HD2  LYS  43           HD2      LYS  43   6.883   5.483  -2.773
  272    HD3  LYS  43           HD1      LYS  43   5.891   5.606  -4.226
  273    HE2  LYS  43           HE2      LYS  43   3.929   6.122  -2.956
  274    HE3  LYS  43           HE1      LYS  43   4.718   5.691  -1.439
  275    HZ1  LYS  43           HZ1      LYS  43   6.083   7.721  -2.975
  276    HZ2  LYS  43           HZ2      LYS  43   5.734   7.664  -1.312
  277    HZ3  LYS  43           HZ3      LYS  43   4.551   8.185  -2.415
  278    H    ILE  44           H        ILE  44   9.121   5.044  -2.656
  279    HA   ILE  44           HA       ILE  44   9.255   4.412   0.126
  280    HB   ILE  44           HB       ILE  44   9.861   6.716  -1.596
  281   HG12  ILE  44          2HG1      ILE  44  11.528   5.200  -0.592
  282   HG13  ILE  44          1HG1      ILE  44  11.767   6.858  -0.035
  283   HG21  ILE  44          1HG2      ILE  44   8.679   7.134   1.139
  284   HG22  ILE  44          2HG2      ILE  44   8.454   8.090  -0.326
  285   HG23  ILE  44          3HG2      ILE  44   9.968   8.197   0.573
  286   HD11  ILE  44          3HD1      ILE  44  11.373   4.570   1.570
  287   HD12  ILE  44          1HD1      ILE  44   9.877   5.499   1.679
  288   HD13  ILE  44          2HD1      ILE  44  11.415   6.251   2.106
  289    H    CYS  45           H        CYS  45   7.342   3.905   1.121
  290    HA   CYS  45           HA       CYS  45   4.935   5.532   0.632
  291    HB2  CYS  45           HB2      CYS  45   3.907   3.935   2.292
  292    HB3  CYS  45           HB1      CYS  45   4.602   3.145   0.878
  293    H    ARG  46           H        ARG  46   7.491   5.210   2.938
  294    HA   ARG  46           HA       ARG  46   6.596   7.621   4.340
  295    HB2  ARG  46           HB2      ARG  46   5.553   5.293   5.312
  296    HB3  ARG  46           HB1      ARG  46   7.049   5.401   6.241
  297    HG2  ARG  46           HG2      ARG  46   6.417   7.361   7.297
  298    HG3  ARG  46           HG1      ARG  46   5.373   7.864   5.968
  299    HD2  ARG  46           HD2      ARG  46   3.826   5.964   6.574
  300    HD3  ARG  46           HD1      ARG  46   4.814   5.697   8.010
  301    HE   ARG  46           HE       ARG  46   4.139   8.413   8.066
  302   HH11  ARG  46          1HH1      ARG  46   1.612   7.257   6.784
  303   HH12  ARG  46          2HH1      ARG  46   0.634   6.974   8.185
  304   HH21  ARG  46          1HH2      ARG  46   3.282   7.234  10.411
  305   HH22  ARG  46          2HH2      ARG  46   1.580   6.961  10.240
  306    H    ILE  47           H        ILE  47   8.227   8.207   6.086
  307    HA   ILE  47           HA       ILE  47  10.934   7.507   5.113
  308    HB   ILE  47           HB       ILE  47  10.299   9.897   5.513
  309   HG12  ILE  47          2HG1      ILE  47  12.314   9.867   7.507
  310   HG13  ILE  47          1HG1      ILE  47  12.629   8.483   6.459
  311   HG21  ILE  47          1HG2      ILE  47  10.414   9.223   8.455
  312   HG22  ILE  47          2HG2      ILE  47   8.887   9.232   7.572
  313   HG23  ILE  47          3HG2      ILE  47   9.844  10.708   7.693
  314   HD11  ILE  47          3HD1      ILE  47  13.182   9.797   4.689
  315   HD12  ILE  47          1HD1      ILE  47  13.407  11.055   5.904
  316   HD13  ILE  47          2HD1      ILE  47  11.886  10.945   5.018
  317    H    ALA  48           H        ALA  48  12.068   5.927   6.123
  318    HA   ALA  48           HA       ALA  48  11.216   4.376   8.266
  319    HB1  ALA  48           HB1      ALA  48  14.054   4.636   8.512
  320    HB2  ALA  48           HB2      ALA  48  13.645   4.697   6.797
  321    HB3  ALA  48           HB3      ALA  48  13.141   3.319   7.777
  322    H    ARG  49           H        ARG  49  10.848   4.835  10.376
  323    HA   ARG  49           HA       ARG  49  11.542   7.405  11.506
  324    HB2  ARG  49           HB2      ARG  49  10.295   4.880  12.559
  325    HB3  ARG  49           HB1      ARG  49  10.810   6.134  13.688
  326    HG2  ARG  49           HG2      ARG  49   9.252   7.662  12.921
  327    HG3  ARG  49           HG1      ARG  49   9.197   6.954  11.307
  328    HD2  ARG  49           HD2      ARG  49   7.283   5.942  11.951
  329    HD3  ARG  49           HD1      ARG  49   8.290   4.904  12.961
  330    HE   ARG  49           HE       ARG  49   6.954   7.396  13.936
  331   HH11  ARG  49          1HH2      ARG  49   6.416   4.284  14.404
  332   HH12  ARG  49          2HH2      ARG  49   6.892   4.187  16.067
  333   HH21  ARG  49          1HH1      ARG  49   8.436   7.293  16.081
  334   HH22  ARG  49          2HH1      ARG  49   8.037   5.891  17.016
  335    H    GLY  50           H        GLY  50  13.849   7.510  11.330
  336    HA2  GLY  50           HA2      GLY  50  15.505   7.182  13.383
  337    HA3  GLY  50           HA1      GLY  50  15.406   5.501  12.861
  338    H    ASP  51           H        ASP  51  16.698   4.862  11.181
  339    HA   ASP  51           HA       ASP  51  17.608   6.627   9.092
  340    HB2  ASP  51           HB2      ASP  51  19.954   6.808   9.696
  341    HB3  ASP  51           HB1      ASP  51  18.981   7.459  11.016
  342    H    TRP  52           H        TRP  52  16.410   4.194   8.920
  343    HA   TRP  52           HA       TRP  52  18.638   2.448   7.967
  344    HB2  TRP  52           HB2      TRP  52  16.754   0.603   8.600
  345    HB3  TRP  52           HB1      TRP  52  18.031   1.090   9.713
  346    HD1  TRP  52           HD       TRP  52  14.536   2.474   8.757
  347    HE1  TRP  52           HE1      TRP  52  13.336   3.179  10.926
  348    HE3  TRP  52           HE3      TRP  52  18.153   1.331  12.171
  349    HZ2  TRP  52           HZ2      TRP  52  13.848   3.255  13.739
  350    HZ3  TRP  52           HZ3      TRP  52  17.773   1.735  14.586
  351    HH2  TRP  52           HH       TRP  52  15.629   2.693  15.373
  352    H    ASN  53           H        ASN  53  17.134   0.483   6.748
  353    HA   ASN  53           HA       ASN  53  16.449   1.558   4.263
  354    HB2  ASN  53           HB2      ASN  53  15.350  -0.524   3.777
  355    HB3  ASN  53           HB1      ASN  53  16.693  -0.900   4.858
  356   HD21  ASN  53          1HD2      ASN  53  13.771  -2.045   4.407
  357   HD22  ASN  53          2HD2      ASN  53  13.203  -2.224   5.997
  358    H    ASP  54           H        ASP  54  14.792   2.840   3.594
  359    HA   ASP  54           HA       ASP  54  12.698   3.611   5.459
  360    HB2  ASP  54           HB2      ASP  54  13.043   4.213   2.504
  361    HB3  ASP  54           HB1      ASP  54  11.863   4.985   3.565
  362    H    ASP  55           H        ASP  55  10.359   3.419   4.906
  363    HA   ASP  55           HA       ASP  55   9.679   0.685   4.264
  364    HB2  ASP  55           HB2      ASP  55   7.872   3.116   4.475
  365    HB3  ASP  55           HB1      ASP  55   7.353   1.430   4.521
  366    H    ARG  56           H        ARG  56   9.001  -0.167   2.322
  367    HA   ARG  56           HA       ARG  56   8.691   1.747   0.038
  368    HB2  ARG  56           HB2      ARG  56   9.719  -1.056  -0.320
  369    HB3  ARG  56           HB1      ARG  56   9.926   0.348  -1.366
  370    HG2  ARG  56           HG2      ARG  56  11.037   0.994   1.183
  371    HG3  ARG  56           HG1      ARG  56  11.670  -0.579   0.697
  372    HD2  ARG  56           HD2      ARG  56  12.079   0.523  -1.608
  373    HD3  ARG  56           HD1      ARG  56  11.865   2.054  -0.760
  374    HE   ARG  56           HE       ARG  56  13.924   0.072   0.121
  375   HH11  ARG  56          1HH2      ARG  56  13.517   2.832  -1.737
  376   HH12  ARG  56          2HH2      ARG  56  14.727   3.770  -0.928
  377   HH21  ARG  56          1HH1      ARG  56  15.221   1.444   1.597
  378   HH22  ARG  56          2HH1      ARG  56  15.692   2.984   0.960
  379    H    CYS  57           H        CYS  57   6.896   1.446  -1.216
  380    HA   CYS  57           HA       CYS  57   4.794  -0.271  -0.255
  381    HB2  CYS  57           HB2      CYS  57   5.189   1.523  -2.606
  382    HB3  CYS  57           HB1      CYS  57   3.905   0.320  -2.704
  383    H    THR  58           H        THR  58   3.946  -2.164  -1.256
  384    HA   THR  58           HA       THR  58   5.942  -3.961  -2.306
  385    HB   THR  58           HB       THR  58   3.366  -5.030  -2.785
  386    HG1  THR  58           HG1      THR  58   3.319  -4.217  -0.160
  387   HG21  THR  58          3HG2      THR  58   5.567  -6.010  -1.810
  388   HG22  THR  58          1HG2      THR  58   4.032  -6.622  -1.189
  389   HG23  THR  58          2HG2      THR  58   4.952  -5.439  -0.258
  390    H    GLY  59           H        GLY  59   3.788  -1.720  -3.779
  391    HA2  GLY  59           HA2      GLY  59   3.872  -1.128  -6.101
  392    HA3  GLY  59           HA1      GLY  59   4.682  -2.658  -6.441
  393    H    GLN  60           H        GLN  60   2.702  -4.182  -4.848
  394    HA   GLN  60           HA       GLN  60   0.373  -3.982  -6.708
  395    HB2  GLN  60           HB2      GLN  60   2.020  -6.289  -5.829
  396    HB3  GLN  60           HB1      GLN  60   0.276  -6.559  -5.841
  397    HG2  GLN  60           HG2      GLN  60   1.833  -5.424  -8.180
  398    HG3  GLN  60           HG1      GLN  60   1.378  -7.121  -8.025
  399   HE21  GLN  60          1HE2      GLN  60  -1.152  -7.330  -7.436
  400   HE22  GLN  60          2HE2      GLN  60  -2.177  -6.365  -8.384
  401    H    SER  61           H        SER  61   1.153  -3.048  -3.806
  402    HA   SER  61           HA       SER  61  -1.461  -3.878  -2.622
  403    HB2  SER  61           HB2      SER  61   0.779  -4.967  -1.671
  404    HB3  SER  61           HB1      SER  61   0.885  -3.431  -0.817
  405    HG   SER  61           HG       SER  61  -0.595  -4.163   0.469
  406    H    ALA  62           H        ALA  62  -2.611  -2.000  -2.507
  407    HA   ALA  62           HA       ALA  62  -1.550   0.611  -2.666
  408    HB1  ALA  62           HB1      ALA  62  -3.797   0.810  -2.942
  409    HB2  ALA  62           HB2      ALA  62  -3.833   0.989  -1.187
  410    HB3  ALA  62           HB3      ALA  62  -4.139  -0.586  -1.921
  411    H    ASP  63           H        ASP  63  -2.199  -1.402   0.187
  412    HA   ASP  63           HA       ASP  63  -1.382   0.733   2.023
  413    HB2  ASP  63           HB2      ASP  63  -2.205  -2.146   2.318
  414    HB3  ASP  63           HB1      ASP  63  -1.417  -1.316   3.661
  415    H    CYS  64           H        CYS  64   0.708   1.162   2.529
  416    HA   CYS  64           HA       CYS  64   2.857  -0.456   1.454
  417    HB2  CYS  64           HB2      CYS  64   3.250   1.904   1.667
  418    HB3  CYS  64           HB1      CYS  64   2.814   1.884   3.375
  419    HA   PRO  65           HA       PRO  65   3.066  -3.284   4.797
  420    HB2  PRO  65           HB2      PRO  65   5.307  -4.552   3.873
  421    HB3  PRO  65           HB1      PRO  65   3.697  -4.843   3.216
  422    HG2  PRO  65           HG2      PRO  65   5.981  -3.345   2.042
  423    HG3  PRO  65           HG1      PRO  65   4.623  -4.142   1.228
  424    HD2  PRO  65           HD2      PRO  65   4.888  -1.364   1.696
  425    HD3  PRO  65           HD1      PRO  65   3.418  -2.208   1.167
  426    H    ARG  66           H        ARG  66   4.306  -3.473   6.721
  427    HA   ARG  66           HA       ARG  66   6.170  -1.305   7.269
  428    HB2  ARG  66           HB2      ARG  66   4.824  -3.447   8.798
  429    HB3  ARG  66           HB1      ARG  66   6.423  -3.005   9.400
  430    HG2  ARG  66           HG2      ARG  66   5.432  -0.537   8.983
  431    HG3  ARG  66           HG1      ARG  66   3.922  -1.394   9.301
  432    HD2  ARG  66           HD2      ARG  66   5.954  -2.223  11.184
  433    HD3  ARG  66           HD1      ARG  66   5.781  -0.468  11.209
  434    HE   ARG  66           HE       ARG  66   3.188  -1.708  11.241
  435   HH11  ARG  66          1HH1      ARG  66   5.822  -0.519  13.083
  436   HH12  ARG  66          2HH1      ARG  66   5.057  -0.784  14.614
  437   HH21  ARG  66          1HH2      ARG  66   2.256  -2.308  13.251
  438   HH22  ARG  66          2HH2      ARG  66   3.040  -1.798  14.710
  439    H    ASN  67           H        ASN  67   8.132  -1.493   6.224
  440    HA   ASN  67           HA       ASN  67   9.453  -4.148   6.142
  441    HB2  ASN  67           HB2      ASN  67   9.318  -2.068   4.313
  442    HB3  ASN  67           HB1      ASN  67  10.933  -1.893   5.003
  443   HD21  ASN  67          1HD2      ASN  67   8.771  -4.466   3.686
  444   HD22  ASN  67          2HD2      ASN  67  10.029  -5.367   2.988
  445    H    GLY  68           H        GLY  68   9.258  -1.735   8.337
  446    HA2  GLY  68           HA2      GLY  68  11.930  -1.063   8.997
  447    HA3  GLY  68           HA1      GLY  68  10.606  -1.134  10.161
  448    H    LEU  69           H        LEU  69  13.082  -1.941  11.021
  449    HA   LEU  69           HA       LEU  69  12.816  -4.921  11.093
  450    HB2  LEU  69           HB2      LEU  69  15.354  -4.774  11.669
  451    HB3  LEU  69           HB1      LEU  69  14.862  -4.578   9.987
  452    HG   LEU  69           HG       LEU  69  14.894  -2.096  11.607
  453   HD11  LEU  69          1HD1      LEU  69  16.922  -3.132  12.463
  454   HD12  LEU  69          2HD1      LEU  69  17.374  -1.879  11.307
  455   HD13  LEU  69          3HD1      LEU  69  17.424  -3.577  10.832
  456   HD21  LEU  69          3HD2      LEU  69  15.083  -1.171   9.544
  457   HD22  LEU  69          1HD2      LEU  69  14.721  -2.785   8.928
  458   HD23  LEU  69          2HD2      LEU  69  16.397  -2.257   9.089
  459    H    TYR  70           H        TYR  70  11.320  -3.653  12.907
  460    HA   TYR  70           HA       TYR  70  12.913  -3.262  15.374
  461    HB2  TYR  70           HB2      TYR  70   9.927  -2.997  14.909
  462    HB3  TYR  70           HB1      TYR  70  10.794  -2.516  16.366
  463    HD1  TYR  70           HD2      TYR  70  12.278  -0.568  16.374
  464    HD2  TYR  70           HD1      TYR  70  10.130  -1.720  12.837
  465    HE1  TYR  70           HE2      TYR  70  12.783   1.634  15.350
  466    HE2  TYR  70           HE1      TYR  70  10.635   0.481  11.813
  467    HH   TYR  70           HH       TYR  70  11.698   2.412  12.042
  468    H    GLY  71           H        GLY  71   9.775  -4.898  14.887
  469    HA2  GLY  71           HA2      GLY  71   9.765  -7.422  15.119
  470    HA3  GLY  71           HA1      GLY  71  10.882  -7.188  16.464
  Start of MODEL    5
    1    H    GLY   1           HT1      GLY   1  -9.365 -10.076   2.443
    2    HA2  GLY   1           HA1      GLY   1 -10.839 -10.046  -0.080
    3    HA3  GLY   1           HA2      GLY   1 -11.256 -11.288   1.101
    4    H    LYS   2           H        LYS   2 -10.401  -7.803   1.208
    5    HA   LYS   2           HA       LYS   2 -12.344  -7.425   3.396
    6    HB2  LYS   2           HB2      LYS   2 -10.086  -5.906   2.239
    7    HB3  LYS   2           HB1      LYS   2 -11.441  -4.917   2.782
    8    HG2  LYS   2           HG2      LYS   2 -11.378  -6.133   4.975
    9    HG3  LYS   2           HG1      LYS   2  -9.918  -6.958   4.425
   10    HD2  LYS   2           HD2      LYS   2  -9.335  -4.311   3.901
   11    HD3  LYS   2           HD1      LYS   2 -10.254  -4.208   5.404
   12    HE2  LYS   2           HE2      LYS   2  -8.528  -6.407   5.733
   13    HE3  LYS   2           HE1      LYS   2  -7.546  -5.146   4.990
   14    HZ1  LYS   2           HZ1      LYS   2  -9.128  -4.974   7.490
   15    HZ2  LYS   2           HZ2      LYS   2  -8.486  -3.610   6.708
   16    HZ3  LYS   2           HZ3      LYS   2  -7.449  -4.813   7.310
   17    H    GLU   3           H        GLU   3 -14.119  -5.903   3.217
   18    HA   GLU   3           HA       GLU   3 -15.239  -5.826   0.474
   19    HB2  GLU   3           HB2      GLU   3 -16.557  -4.975   3.067
   20    HB3  GLU   3           HB1      GLU   3 -17.349  -5.326   1.530
   21    HG2  GLU   3           HG2      GLU   3 -16.423  -7.677   1.700
   22    HG3  GLU   3           HG1      GLU   3 -15.915  -7.282   3.343
   23    H    CYS   4           H        CYS   4 -13.311  -3.850   2.301
   24    HA   CYS   4           HA       CYS   4 -14.382  -1.451   0.885
   25    HB2  CYS   4           HB2      CYS   4 -14.915  -1.294   3.301
   26    HB3  CYS   4           HB1      CYS   4 -13.203  -1.490   3.680
   27    H    ASP   5           H        ASP   5 -12.802  -0.129  -0.052
   28    HA   ASP   5           HA       ASP   5  -9.997  -1.148   0.164
   29    HB2  ASP   5           HB2      ASP   5 -11.363  -1.266  -2.088
   30    HB3  ASP   5           HB1      ASP   5 -10.972   0.452  -2.187
   31    H    CYS   6           H        CYS   6 -12.001   1.405   0.982
   32    HA   CYS   6           HA       CYS   6  -9.650   3.139   1.445
   33    HB2  CYS   6           HB2      CYS   6 -10.605   5.072   0.388
   34    HB3  CYS   6           HB1      CYS   6 -10.686   3.763  -0.791
   35    H    SER   7           H        SER   7  -9.841   4.242   3.372
   36    HA   SER   7           HA       SER   7 -12.208   3.668   5.015
   37    HB2  SER   7           HB2      SER   7  -9.649   3.783   5.712
   38    HB3  SER   7           HB1      SER   7 -10.009   5.495   5.913
   39    HG   SER   7           HG       SER   7 -10.373   3.992   7.767
   40    H    SER   8           H        SER   8 -11.896   5.768   2.639
   41    HA   SER   8           HA       SER   8 -13.144   8.027   4.148
   42    HB2  SER   8           HB2      SER   8 -11.035   8.602   2.963
   43    HB3  SER   8           HB1      SER   8 -11.770   8.093   1.445
   44    HG   SER   8           HG       SER   8 -12.324  10.309   3.073
   45    HA   PRO   9           HA       PRO   9 -16.735   6.697   1.826
   46    HB2  PRO   9           HB2      PRO   9 -18.476   8.412   3.085
   47    HB3  PRO   9           HB1      PRO   9 -17.947   6.871   3.780
   48    HG2  PRO   9           HG2      PRO   9 -17.118   9.642   4.511
   49    HG3  PRO   9           HG1      PRO   9 -17.152   8.181   5.511
   50    HD2  PRO   9           HD2      PRO   9 -14.849   9.317   4.330
   51    HD3  PRO   9           HD1      PRO   9 -14.966   7.687   5.024
   52    H    GLU  10           H        GLU  10 -15.711  10.053   2.319
   53    HA   GLU  10           HA       GLU  10 -17.354  11.119   0.170
   54    HB2  GLU  10           HB2      GLU  10 -15.851  13.134   0.430
   55    HB3  GLU  10           HB1      GLU  10 -16.652  12.632   1.919
   56    HG2  GLU  10           HG2      GLU  10 -14.700  11.819   2.861
   57    HG3  GLU  10           HG1      GLU  10 -13.966  11.470   1.295
   58    H    ASN  11           H        ASN  11 -14.483   9.302   0.285
   59    HA   ASN  11           HA       ASN  11 -13.165  10.384  -2.050
   60    HB2  ASN  11           HB2      ASN  11 -12.071   8.950  -0.284
   61    HB3  ASN  11           HB1      ASN  11 -12.955   7.572  -0.943
   62   HD21  ASN  11          1HD2      ASN  11 -10.312   7.186  -1.135
   63   HD22  ASN  11          2HD2      ASN  11  -9.717   7.503  -2.692
   64    HA   PRO  12           HA       PRO  12 -16.129   8.518  -4.843
   65    HB2  PRO  12           HB2      PRO  12 -15.097   9.695  -7.102
   66    HB3  PRO  12           HB1      PRO  12 -16.180  10.525  -5.972
   67    HG2  PRO  12           HG2      PRO  12 -13.238  10.853  -6.336
   68    HG3  PRO  12           HG1      PRO  12 -14.431  12.018  -5.738
   69    HD2  PRO  12           HD2      PRO  12 -12.639  10.518  -4.144
   70    HD3  PRO  12           HD1      PRO  12 -14.053  11.420  -3.557
   71    H    CYS  13           H        CYS  13 -12.618   8.382  -5.098
   72    HA   CYS  13           HA       CYS  13 -12.350   6.616  -7.286
   73    HB2  CYS  13           HB2      CYS  13 -10.569   7.803  -5.685
   74    HB3  CYS  13           HB1      CYS  13 -10.571   6.210  -4.929
   75    H    CYS  14           H        CYS  14 -13.777   6.034  -4.219
   76    HA   CYS  14           HA       CYS  14 -13.798   3.122  -4.867
   77    HB2  CYS  14           HB2      CYS  14 -13.830   2.790  -2.306
   78    HB3  CYS  14           HB1      CYS  14 -12.287   3.204  -3.052
   79    H    ASP  15           H        ASP  15 -15.835   2.357  -5.024
   80    HA   ASP  15           HA       ASP  15 -18.148   3.937  -4.703
   81    HB2  ASP  15           HB2      ASP  15 -17.841   1.619  -5.857
   82    HB3  ASP  15           HB1      ASP  15 -18.203   0.957  -4.263
   83    H    ALA  16           H        ALA  16 -18.995   4.758  -2.867
   84    HA   ALA  16           HA       ALA  16 -18.112   3.969  -0.247
   85    HB1  ALA  16           HB1      ALA  16 -18.881   6.142  -0.202
   86    HB2  ALA  16           HB2      ALA  16 -20.352   5.323   0.324
   87    HB3  ALA  16           HB3      ALA  16 -20.172   5.820  -1.358
   88    H    ALA  17           H        ALA  17 -20.954   3.157  -2.202
   89    HA   ALA  17           HA       ALA  17 -22.570   1.911  -0.284
   90    HB1  ALA  17           HB1      ALA  17 -22.084   1.482  -3.198
   91    HB2  ALA  17           HB2      ALA  17 -23.585   1.869  -2.355
   92    HB3  ALA  17           HB3      ALA  17 -22.958   0.220  -2.328
   93    H    THR  18           H        THR  18 -19.994   0.345  -2.220
   94    HA   THR  18           HA       THR  18 -20.015  -1.935  -0.326
   95    HB   THR  18           HB       THR  18 -19.912  -2.606  -2.626
   96    HG1  THR  18           HG1      THR  18 -17.779  -3.523  -2.698
   97   HG21  THR  18          3HG2      THR  18 -18.224  -0.221  -2.824
   98   HG22  THR  18          1HG2      THR  18 -19.206  -1.007  -4.061
   99   HG23  THR  18          2HG2      THR  18 -17.580  -1.597  -3.719
  100    H    CYS  19           H        CYS  19 -18.279   0.959  -0.988
  101    HA   CYS  19           HA       CYS  19 -16.546   1.941   0.281
  102    HB2  CYS  19           HB2      CYS  19 -17.497   0.272   2.092
  103    HB3  CYS  19           HB1      CYS  19 -16.043  -0.650   1.712
  104    H    LYS  20           H        LYS  20 -16.334  -0.110  -2.105
  105    HA   LYS  20           HA       LYS  20 -13.387  -0.571  -1.803
  106    HB2  LYS  20           HB2      LYS  20 -15.388  -2.012  -3.570
  107    HB3  LYS  20           HB1      LYS  20 -13.651  -2.321  -3.543
  108    HG2  LYS  20           HG2      LYS  20 -14.512  -2.396  -0.848
  109    HG3  LYS  20           HG1      LYS  20 -15.683  -3.339  -1.770
  110    HD2  LYS  20           HD2      LYS  20 -12.692  -3.693  -2.068
  111    HD3  LYS  20           HD1      LYS  20 -13.659  -4.634  -0.932
  112    HE2  LYS  20           HE2      LYS  20 -14.314  -4.461  -3.882
  113    HE3  LYS  20           HE1      LYS  20 -13.275  -5.717  -3.208
  114    HZ1  LYS  20           HZ1      LYS  20 -15.804  -5.293  -1.845
  115    HZ2  LYS  20           HZ2      LYS  20 -14.997  -6.740  -2.221
  116    HZ3  LYS  20           HZ3      LYS  20 -15.916  -5.944  -3.408
  117    H    LEU  21           H        LEU  21 -12.619  -0.915  -4.386
  118    HA   LEU  21           HA       LEU  21 -12.633   1.808  -5.402
  119    HB2  LEU  21           HB2      LEU  21 -11.306  -0.759  -6.121
  120    HB3  LEU  21           HB1      LEU  21 -11.454   0.454  -7.394
  121    HG   LEU  21           HG       LEU  21 -10.571   1.504  -4.778
  122   HD11  LEU  21          1HD1      LEU  21  -9.440  -0.880  -5.403
  123   HD12  LEU  21          2HD1      LEU  21  -8.569   0.415  -4.583
  124   HD13  LEU  21          3HD1      LEU  21  -8.400   0.202  -6.326
  125   HD21  LEU  21          3HD2      LEU  21 -10.683   2.461  -7.308
  126   HD22  LEU  21          1HD2      LEU  21  -9.028   1.854  -7.295
  127   HD23  LEU  21          2HD2      LEU  21  -9.535   3.058  -6.110
  128    H    ARG  22           H        ARG  22 -14.170   2.638  -6.711
  129    HA   ARG  22           HA       ARG  22 -16.081   0.824  -8.028
  130    HB2  ARG  22           HB2      ARG  22 -16.617   3.049  -6.761
  131    HB3  ARG  22           HB1      ARG  22 -16.162   3.816  -8.282
  132    HG2  ARG  22           HG2      ARG  22 -18.071   1.504  -8.334
  133    HG3  ARG  22           HG1      ARG  22 -18.665   3.099  -7.874
  134    HD2  ARG  22           HD2      ARG  22 -17.095   3.620 -10.105
  135    HD3  ARG  22           HD1      ARG  22 -17.891   2.100 -10.511
  136    HE   ARG  22           HE       ARG  22 -20.056   3.235 -10.184
  137   HH11  ARG  22          1HH1      ARG  22 -17.551   5.315  -9.251
  138   HH12  ARG  22          2HH1      ARG  22 -18.226   6.725  -9.997
  139   HH21  ARG  22          1HH2      ARG  22 -20.798   4.996 -11.553
  140   HH22  ARG  22          2HH2      ARG  22 -20.064   6.545 -11.299
  141    HA   PRO  23           HA       PRO  23 -14.284   3.081 -11.840
  142    HB2  PRO  23           HB2      PRO  23 -11.974   4.530 -11.490
  143    HB3  PRO  23           HB1      PRO  23 -13.600   5.218 -11.339
  144    HG2  PRO  23           HG2      PRO  23 -11.643   4.556  -9.199
  145    HG3  PRO  23           HG1      PRO  23 -12.969   5.729  -9.183
  146    HD2  PRO  23           HD2      PRO  23 -12.982   3.153  -7.986
  147    HD3  PRO  23           HD1      PRO  23 -14.381   4.226  -8.192
  148    H    GLY  24           H        GLY  24 -11.863   3.065 -13.022
  149    HA2  GLY  24           HA2      GLY  24 -10.952   0.298 -12.625
  150    HA3  GLY  24           HA1      GLY  24 -10.455   1.376 -13.928
  151    H    ALA  25           H        ALA  25 -10.287   2.870 -10.878
  152    HA   ALA  25           HA       ALA  25  -7.416   3.115 -11.014
  153    HB1  ALA  25           HB1      ALA  25  -8.843   4.823  -9.939
  154    HB2  ALA  25           HB2      ALA  25  -7.630   4.212  -8.812
  155    HB3  ALA  25           HB3      ALA  25  -9.300   3.659  -8.695
  156    H    GLN  26           H        GLN  26  -6.115   2.499  -8.832
  157    HA   GLN  26           HA       GLN  26  -6.863  -0.330  -8.268
  158    HB2  GLN  26           HB2      GLN  26  -4.603   0.721  -9.560
  159    HB3  GLN  26           HB1      GLN  26  -4.048   0.289  -7.949
  160    HG2  GLN  26           HG2      GLN  26  -3.814  -1.696  -9.269
  161    HG3  GLN  26           HG1      GLN  26  -5.267  -1.932  -8.297
  162   HE21  GLN  26          1HE2      GLN  26  -4.832   0.031 -11.279
  163   HE22  GLN  26          2HE2      GLN  26  -6.015  -0.797 -12.173
  164    H    CYS  27           H        CYS  27  -6.647   2.709  -6.977
  165    HA   CYS  27           HA       CYS  27  -6.745   1.723  -4.240
  166    HB2  CYS  27           HB2      CYS  27  -4.775   3.091  -3.507
  167    HB3  CYS  27           HB1      CYS  27  -4.337   1.716  -4.523
  168    H    GLY  28           H        GLY  28  -7.757   3.246  -2.925
  169    HA2  GLY  28           HA2      GLY  28  -8.563   5.773  -4.274
  170    HA3  GLY  28           HA1      GLY  28  -9.426   5.026  -2.931
  171    H    GLU  29           H        GLU  29  -7.158   4.457  -1.325
  172    HA   GLU  29           HA       GLU  29  -5.822   7.050  -0.876
  173    HB2  GLU  29           HB2      GLU  29  -6.640   7.334   1.343
  174    HB3  GLU  29           HB1      GLU  29  -8.058   7.037   0.347
  175    HG2  GLU  29           HG2      GLU  29  -8.581   5.281   1.641
  176    HG3  GLU  29           HG1      GLU  29  -7.075   4.499   1.158
  177    H    GLY  30           H        GLY  30  -3.905   6.811   0.411
  178    HA2  GLY  30           HA2      GLY  30  -3.055   4.763   2.019
  179    HA3  GLY  30           HA1      GLY  30  -2.835   4.081   0.409
  180    H    LEU  31           H        LEU  31  -0.537   4.270   1.666
  181    HA   LEU  31           HA       LEU  31   0.698   6.916   1.244
  182    HB2  LEU  31           HB2      LEU  31   1.164   4.879   3.051
  183    HB3  LEU  31           HB1      LEU  31   2.473   4.662   1.890
  184    HG   LEU  31           HG       LEU  31   3.150   6.209   3.682
  185   HD11  LEU  31          1HD1      LEU  31   3.908   6.517   1.282
  186   HD12  LEU  31          2HD1      LEU  31   3.978   7.975   2.273
  187   HD13  LEU  31          3HD1      LEU  31   2.660   7.753   1.122
  188   HD21  LEU  31          3HD2      LEU  31   1.458   7.449   4.550
  189   HD22  LEU  31          1HD2      LEU  31   0.499   7.325   3.074
  190   HD23  LEU  31          2HD2      LEU  31   1.762   8.549   3.205
  191    H    CYS  32           H        CYS  32  -0.250   4.905  -0.956
  192    HA   CYS  32           HA       CYS  32   2.096   5.374  -2.680
  193    HB2  CYS  32           HB2      CYS  32   1.145   2.612  -2.983
  194    HB3  CYS  32           HB1      CYS  32   2.792   3.232  -2.937
  195    H    CYS  33           H        CYS  33  -0.800   6.174  -2.500
  196    HA   CYS  33           HA       CYS  33  -1.778   4.966  -5.041
  197    HB2  CYS  33           HB2      CYS  33  -3.266   4.952  -2.992
  198    HB3  CYS  33           HB1      CYS  33  -3.358   6.707  -3.135
  199    H    GLU  34           H        GLU  34  -1.312   6.120  -6.819
  200    HA   GLU  34           HA       GLU  34  -1.257   9.107  -6.597
  201    HB2  GLU  34           HB2      GLU  34   0.240   7.897  -8.834
  202    HB3  GLU  34           HB1      GLU  34   0.711   9.196  -7.741
  203    HG2  GLU  34           HG2      GLU  34   0.651   6.281  -6.927
  204    HG3  GLU  34           HG1      GLU  34   2.096   7.091  -7.530
  205    H    GLN  35           H        GLN  35  -2.783  10.087  -7.843
  206    HA   GLN  35           HA       GLN  35  -4.400  10.390  -9.521
  207    HB2  GLN  35           HB2      GLN  35  -2.904   8.314 -11.126
  208    HB3  GLN  35           HB1      GLN  35  -3.809   9.710 -11.713
  209    HG2  GLN  35           HG2      GLN  35  -2.146  11.224 -10.701
  210    HG3  GLN  35           HG1      GLN  35  -1.240   9.833 -10.106
  211   HE21  GLN  35          1HE2      GLN  35  -2.254  11.506 -13.094
  212   HE22  GLN  35          2HE2      GLN  35  -1.064  10.807 -14.083
  213    H    CYS  36           H        CYS  36  -4.745   8.371  -7.472
  214    HA   CYS  36           HA       CYS  36  -6.402   6.825  -6.920
  215    HB2  CYS  36           HB2      CYS  36  -7.211   7.580  -9.657
  216    HB3  CYS  36           HB1      CYS  36  -7.727   6.004  -9.129
  217    H    LYS  37           H        LYS  37  -4.168   6.187  -9.549
  218    HA   LYS  37           HA       LYS  37  -4.510   3.272  -9.264
  219    HB2  LYS  37           HB2      LYS  37  -3.040   5.091 -11.126
  220    HB3  LYS  37           HB1      LYS  37  -2.371   3.480 -10.863
  221    HG2  LYS  37           HG2      LYS  37  -3.815   2.911 -12.542
  222    HG3  LYS  37           HG1      LYS  37  -4.983   2.848 -11.222
  223    HD2  LYS  37           HD2      LYS  37  -5.935   4.893 -11.779
  224    HD3  LYS  37           HD1      LYS  37  -4.468   5.476 -12.567
  225    HE2  LYS  37           HE2      LYS  37  -5.977   3.131 -13.703
  226    HE3  LYS  37           HE1      LYS  37  -6.483   4.781 -14.065
  227    HZ1  LYS  37           HZ1      LYS  37  -4.926   4.792 -15.625
  228    HZ2  LYS  37           HZ2      LYS  37  -4.284   3.309 -15.100
  229    HZ3  LYS  37           HZ3      LYS  37  -3.756   4.763 -14.397
  230    H    PHE  38           H        PHE  38  -3.142   2.051  -7.984
  231    HA   PHE  38           HA       PHE  38  -1.424   3.624  -6.268
  232    HB2  PHE  38           HB2      PHE  38  -0.930   1.501  -5.130
  233    HB3  PHE  38           HB1      PHE  38  -2.627   1.828  -5.236
  234    HD1  PHE  38           HD1      PHE  38  -0.185   0.235  -7.650
  235    HD2  PHE  38           HD2      PHE  38  -3.773  -0.127  -5.332
  236    HE1  PHE  38           HE1      PHE  38  -0.579  -1.998  -8.617
  237    HE2  PHE  38           HE2      PHE  38  -4.177  -2.365  -6.301
  238    HZ   PHE  38           HZ       PHE  38  -2.577  -3.308  -7.948
  239    H    SER  39           H        SER  39   0.768   3.522  -6.060
  240    HA   SER  39           HA       SER  39   2.241   3.408  -8.502
  241    HB2  SER  39           HB2      SER  39   3.853   3.159  -6.065
  242    HB3  SER  39           HB1      SER  39   3.854   4.426  -7.287
  243    HG   SER  39           HG       SER  39   2.500   4.251  -4.896
  244    H    ARG  40           H        ARG  40   4.659   2.126  -7.667
  245    HA   ARG  40           HA       ARG  40   3.805  -0.729  -7.876
  246    HB2  ARG  40           HB2      ARG  40   5.939  -1.140  -8.982
  247    HB3  ARG  40           HB1      ARG  40   5.130   0.206  -9.788
  248    HG2  ARG  40           HG2      ARG  40   6.465   1.790  -8.394
  249    HG3  ARG  40           HG1      ARG  40   7.332   0.413  -7.712
  250    HD2  ARG  40           HD2      ARG  40   8.544   0.063  -9.619
  251    HD3  ARG  40           HD1      ARG  40   7.208   0.521 -10.674
  252    HE   ARG  40           HE       ARG  40   9.317   2.265  -9.867
  253   HH11  ARG  40          1HH1      ARG  40   7.263   2.663 -12.103
  254   HH12  ARG  40          2HH1      ARG  40   6.472   4.108 -11.567
  255   HH21  ARG  40          1HH2      ARG  40   7.714   3.906  -8.336
  256   HH22  ARG  40          2HH2      ARG  40   6.728   4.812  -9.434
  257    H    ALA  41           H        ALA  41   5.591  -2.245  -6.945
  258    HA   ALA  41           HA       ALA  41   5.887  -1.632  -4.134
  259    HB1  ALA  41           HB1      ALA  41   5.849  -3.946  -5.582
  260    HB2  ALA  41           HB2      ALA  41   6.451  -3.835  -3.929
  261    HB3  ALA  41           HB3      ALA  41   7.579  -3.774  -5.283
  262    H    GLY  42           H        GLY  42   8.193  -1.947  -3.126
  263    HA2  GLY  42           HA2      GLY  42  10.405  -1.145  -2.959
  264    HA3  GLY  42           HA1      GLY  42  10.443  -1.056  -4.717
  265    H    LYS  43           H        LYS  43   7.841   0.450  -2.968
  266    HA   LYS  43           HA       LYS  43   8.935   3.102  -3.821
  267    HB2  LYS  43           HB2      LYS  43   6.890   3.088  -4.838
  268    HB3  LYS  43           HB1      LYS  43   6.227   1.901  -3.724
  269    HG2  LYS  43           HG2      LYS  43   5.534   3.510  -2.207
  270    HG3  LYS  43           HG1      LYS  43   6.796   4.646  -2.676
  271    HD2  LYS  43           HD2      LYS  43   5.315   4.350  -5.004
  272    HD3  LYS  43           HD1      LYS  43   4.087   4.340  -3.737
  273    HE2  LYS  43           HE2      LYS  43   4.986   6.437  -2.822
  274    HE3  LYS  43           HE1      LYS  43   6.251   6.444  -4.052
  275    HZ1  LYS  43           HZ1      LYS  43   3.606   6.145  -5.132
  276    HZ2  LYS  43           HZ2      LYS  43   4.851   7.209  -5.586
  277    HZ3  LYS  43           HZ3      LYS  43   3.819   7.606  -4.296
  278    H    ILE  44           H        ILE  44   9.769   4.319  -2.222
  279    HA   ILE  44           HA       ILE  44   9.606   3.672   0.538
  280    HB   ILE  44           HB       ILE  44  11.354   5.132  -0.515
  281   HG12  ILE  44          2HG1      ILE  44  11.422   6.760   1.390
  282   HG13  ILE  44          1HG1      ILE  44   9.784   6.267   1.823
  283   HG21  ILE  44          1HG2      ILE  44   9.517   6.432  -1.787
  284   HG22  ILE  44          2HG2      ILE  44  10.863   7.360  -1.125
  285   HG23  ILE  44          3HG2      ILE  44   9.311   7.337  -0.287
  286   HD11  ILE  44          3HD1      ILE  44  12.013   5.099   2.843
  287   HD12  ILE  44          1HD1      ILE  44  11.724   4.061   1.448
  288   HD13  ILE  44          2HD1      ILE  44  10.470   4.263   2.671
  289    H    CYS  45           H        CYS  45   7.930   3.915   1.904
  290    HA   CYS  45           HA       CYS  45   5.721   5.766   1.145
  291    HB2  CYS  45           HB2      CYS  45   5.178   4.247   3.546
  292    HB3  CYS  45           HB1      CYS  45   4.310   4.238   2.017
  293    H    ARG  46           H        ARG  46   8.174   5.127   3.542
  294    HA   ARG  46           HA       ARG  46   7.933   7.841   4.573
  295    HB2  ARG  46           HB2      ARG  46   6.172   6.764   5.893
  296    HB3  ARG  46           HB1      ARG  46   7.291   5.489   6.379
  297    HG2  ARG  46           HG2      ARG  46   8.629   7.009   7.643
  298    HG3  ARG  46           HG1      ARG  46   7.831   8.413   6.933
  299    HD2  ARG  46           HD2      ARG  46   6.792   6.496   9.002
  300    HD3  ARG  46           HD1      ARG  46   6.774   8.259   9.013
  301    HE   ARG  46           HE       ARG  46   5.059   7.984   7.081
  302   HH11  ARG  46          1HH1      ARG  46   5.037   6.638  10.158
  303   HH12  ARG  46          2HH1      ARG  46   3.672   5.606   9.889
  304   HH21  ARG  46          1HH2      ARG  46   3.516   6.254   6.486
  305   HH22  ARG  46          2HH2      ARG  46   2.813   5.388   7.811
  306    H    ILE  47           H        ILE  47   9.762   8.365   5.984
  307    HA   ILE  47           HA       ILE  47  12.136   6.806   5.300
  308    HB   ILE  47           HB       ILE  47  12.156   9.300   5.472
  309   HG12  ILE  47          2HG1      ILE  47  14.239   9.402   6.928
  310   HG13  ILE  47          1HG1      ILE  47  13.949   7.707   7.325
  311   HG21  ILE  47          1HG2      ILE  47  12.253   9.101   8.445
  312   HG22  ILE  47          2HG2      ILE  47  10.664   9.009   7.687
  313   HG23  ILE  47          3HG2      ILE  47  11.684  10.423   7.426
  314   HD11  ILE  47          3HD1      ILE  47  15.243   8.770   5.016
  315   HD12  ILE  47          1HD1      ILE  47  13.741   8.014   4.485
  316   HD13  ILE  47          2HD1      ILE  47  14.924   7.079   5.398
  317    H    ALA  48           H        ALA  48  13.398   5.573   6.744
  318    HA   ALA  48           HA       ALA  48  11.972   4.316   8.922
  319    HB1  ALA  48           HB1      ALA  48  14.562   3.597   9.350
  320    HB2  ALA  48           HB2      ALA  48  14.638   4.069   7.653
  321    HB3  ALA  48           HB3      ALA  48  13.515   2.811   8.168
  322    H    ARG  49           H        ARG  49  12.475   4.458  11.186
  323    HA   ARG  49           HA       ARG  49  13.550   7.120  11.956
  324    HB2  ARG  49           HB2      ARG  49  11.874   5.061  13.410
  325    HB3  ARG  49           HB1      ARG  49  12.570   6.461  14.225
  326    HG2  ARG  49           HG2      ARG  49  11.395   7.974  12.699
  327    HG3  ARG  49           HG1      ARG  49  10.743   6.597  11.807
  328    HD2  ARG  49           HD2      ARG  49  10.100   6.107  14.501
  329    HD3  ARG  49           HD1      ARG  49   9.761   7.819  14.245
  330    HE   ARG  49           HE       ARG  49   8.601   6.634  12.049
  331   HH11  ARG  49          1HH1      ARG  49   7.075   7.790  14.428
  332   HH12  ARG  49          2HH1      ARG  49   6.082   6.442  14.874
  333   HH21  ARG  49          1HH2      ARG  49   7.931   4.140  13.055
  334   HH22  ARG  49          2HH2      ARG  49   6.566   4.377  14.095
  335    H    GLY  50           H        GLY  50  15.809   6.515  11.658
  336    HA2  GLY  50           HA2      GLY  50  17.425   6.033  13.715
  337    HA3  GLY  50           HA1      GLY  50  16.833   4.391  13.460
  338    H    ASP  51           H        ASP  51  17.872   3.165  11.939
  339    HA   ASP  51           HA       ASP  51  19.210   4.404   9.647
  340    HB2  ASP  51           HB2      ASP  51  20.689   3.596  12.071
  341    HB3  ASP  51           HB1      ASP  51  21.337   2.942  10.567
  342    H    TRP  52           H        TRP  52  17.120   2.582   9.704
  343    HA   TRP  52           HA       TRP  52  18.465   0.124   8.667
  344    HB2  TRP  52           HB2      TRP  52  16.244  -1.011   9.501
  345    HB3  TRP  52           HB1      TRP  52  17.556  -0.723  10.642
  346    HD1  TRP  52           HD       TRP  52  14.641   1.453   9.291
  347    HE1  TRP  52           HE1      TRP  52  13.538   2.638  11.297
  348    HE3  TRP  52           HE3      TRP  52  17.515  -0.385  13.093
  349    HZ2  TRP  52           HZ2      TRP  52  13.835   2.786  14.138
  350    HZ3  TRP  52           HZ3      TRP  52  17.085   0.296  15.435
  351    HH2  TRP  52           HH       TRP  52  15.248   1.877  15.963
  352    H    ASN  53           H        ASN  53  16.382  -1.185   7.554
  353    HA   ASN  53           HA       ASN  53  15.867   0.155   5.140
  354    HB2  ASN  53           HB2      ASN  53  14.312  -2.029   6.546
  355    HB3  ASN  53           HB1      ASN  53  13.921  -1.474   4.917
  356   HD21  ASN  53          1HD2      ASN  53  14.756  -4.143   5.258
  357   HD22  ASN  53          2HD2      ASN  53  16.311  -4.336   4.606
  358    H    ASP  54           H        ASP  54  14.148   1.439   4.393
  359    HA   ASP  54           HA       ASP  54  12.657   2.861   6.506
  360    HB2  ASP  54           HB2      ASP  54  12.512   3.370   3.533
  361    HB3  ASP  54           HB1      ASP  54  12.195   4.502   4.848
  362    H    ASP  55           H        ASP  55  10.504   3.459   4.408
  363    HA   ASP  55           HA       ASP  55   8.956   0.938   4.851
  364    HB2  ASP  55           HB2      ASP  55   8.343   3.616   5.494
  365    HB3  ASP  55           HB1      ASP  55   7.334   3.218   4.104
  366    H    ARG  56           H        ARG  56   8.874  -0.225   2.981
  367    HA   ARG  56           HA       ARG  56   8.829   1.257   0.389
  368    HB2  ARG  56           HB2      ARG  56  10.424  -0.827   1.215
  369    HB3  ARG  56           HB1      ARG  56   9.150  -1.667   0.331
  370    HG2  ARG  56           HG2      ARG  56  10.970  -1.045  -1.189
  371    HG3  ARG  56           HG1      ARG  56   9.504  -0.153  -1.593
  372    HD2  ARG  56           HD2      ARG  56  11.667   1.208  -1.518
  373    HD3  ARG  56           HD1      ARG  56  10.317   1.839  -0.580
  374    HE   ARG  56           HE       ARG  56  11.434   1.046   1.450
  375   HH11  ARG  56          1HH1      ARG  56  13.461   2.511  -0.498
  376   HH12  ARG  56          2HH1      ARG  56  14.873   1.558  -0.186
  377   HH21  ARG  56          1HH2      ARG  56  13.137  -0.970   1.431
  378   HH22  ARG  56          2HH2      ARG  56  14.690  -0.410   0.906
  379    H    CYS  57           H        CYS  57   6.965   1.286  -0.724
  380    HA   CYS  57           HA       CYS  57   4.594  -0.022   0.270
  381    HB2  CYS  57           HB2      CYS  57   5.245   1.526  -2.233
  382    HB3  CYS  57           HB1      CYS  57   3.673   0.765  -2.012
  383    H    THR  58           H        THR  58   3.434  -1.727  -0.717
  384    HA   THR  58           HA       THR  58   5.070  -3.829  -1.849
  385    HB   THR  58           HB       THR  58   2.429  -4.603  -2.190
  386    HG1  THR  58           HG1      THR  58   1.617  -3.900  -0.048
  387   HG21  THR  58          3HG2      THR  58   4.220  -4.829   0.244
  388   HG22  THR  58          1HG2      THR  58   4.175  -5.936  -1.129
  389   HG23  THR  58          2HG2      THR  58   2.788  -5.818  -0.047
  390    H    GLY  59           H        GLY  59   3.107  -1.285  -3.132
  391    HA2  GLY  59           HA2      GLY  59   3.213  -0.628  -5.452
  392    HA3  GLY  59           HA1      GLY  59   3.712  -2.270  -5.862
  393    H    GLN  60           H        GLN  60   1.458  -3.225  -3.983
  394    HA   GLN  60           HA       GLN  60  -0.764  -2.755  -5.931
  395    HB2  GLN  60           HB2      GLN  60  -1.524  -5.090  -5.058
  396    HB3  GLN  60           HB1      GLN  60  -0.207  -5.019  -6.229
  397    HG2  GLN  60           HG2      GLN  60   1.449  -5.267  -4.499
  398    HG3  GLN  60           HG1      GLN  60   0.235  -5.068  -3.234
  399   HE21  GLN  60          1HE2      GLN  60   2.059  -7.445  -3.942
  400   HE22  GLN  60          2HE2      GLN  60   0.990  -8.758  -4.079
  401    H    SER  61           H        SER  61   0.254  -2.563  -2.660
  402    HA   SER  61           HA       SER  61  -2.589  -2.334  -1.763
  403    HB2  SER  61           HB2      SER  61  -1.723  -3.779  -0.211
  404    HB3  SER  61           HB1      SER  61  -0.072  -3.212  -0.452
  405    HG   SER  61           HG       SER  61  -2.118  -1.713   0.828
  406    H    ALA  62           H        ALA  62  -3.211  -0.220  -1.965
  407    HA   ALA  62           HA       ALA  62  -1.595   2.062  -2.048
  408    HB1  ALA  62           HB1      ALA  62  -4.296   1.624  -2.093
  409    HB2  ALA  62           HB2      ALA  62  -3.558   3.223  -1.998
  410    HB3  ALA  62           HB3      ALA  62  -4.108   2.417  -0.529
  411    H    ASP  63           H        ASP  63  -2.836   0.327   0.783
  412    HA   ASP  63           HA       ASP  63  -1.674   2.251   2.661
  413    HB2  ASP  63           HB2      ASP  63  -2.789  -0.539   3.103
  414    HB3  ASP  63           HB1      ASP  63  -2.346   0.594   4.381
  415    H    CYS  64           H        CYS  64   0.543   2.332   2.506
  416    HA   CYS  64           HA       CYS  64   2.280   0.259   1.766
  417    HB2  CYS  64           HB2      CYS  64   3.081   2.537   1.932
  418    HB3  CYS  64           HB1      CYS  64   2.769   2.564   3.668
  419    HA   PRO  65           HA       PRO  65   2.079  -2.495   5.168
  420    HB2  PRO  65           HB2      PRO  65   4.115  -4.093   4.273
  421    HB3  PRO  65           HB1      PRO  65   2.480  -4.165   3.619
  422    HG2  PRO  65           HG2      PRO  65   4.952  -3.027   2.421
  423    HG3  PRO  65           HG1      PRO  65   3.498  -3.650   1.621
  424    HD2  PRO  65           HD2      PRO  65   4.134  -0.927   2.010
  425    HD3  PRO  65           HD1      PRO  65   2.552  -1.576   1.529
  426    H    ARG  66           H        ARG  66   4.242  -3.748   6.317
  427    HA   ARG  66           HA       ARG  66   5.863  -1.441   7.299
  428    HB2  ARG  66           HB2      ARG  66   4.505  -3.604   8.628
  429    HB3  ARG  66           HB1      ARG  66   6.233  -3.708   8.967
  430    HG2  ARG  66           HG2      ARG  66   5.553  -0.963   9.121
  431    HG3  ARG  66           HG1      ARG  66   4.308  -1.839  10.014
  432    HD2  ARG  66           HD2      ARG  66   6.917  -2.948  10.590
  433    HD3  ARG  66           HD1      ARG  66   6.906  -1.213  10.906
  434    HE   ARG  66           HE       ARG  66   5.397  -1.595  12.689
  435   HH11  ARG  66          1HH2      ARG  66   6.787  -4.419  12.395
  436   HH12  ARG  66          2HH2      ARG  66   5.404  -5.433  12.639
  437   HH21  ARG  66          1HH1      ARG  66   3.116  -2.858  12.237
  438   HH22  ARG  66          2HH1      ARG  66   3.326  -4.550  12.548
  439    H    ASN  67           H        ASN  67   7.894  -1.378   6.483
  440    HA   ASN  67           HA       ASN  67   9.143  -3.952   5.628
  441    HB2  ASN  67           HB2      ASN  67   8.842  -2.035   3.960
  442    HB3  ASN  67           HB1      ASN  67  10.069  -1.171   4.887
  443   HD21  ASN  67          1HD2      ASN  67   9.582  -3.595   2.467
  444   HD22  ASN  67          2HD2      ASN  67  11.199  -4.091   2.332
  445    H    GLY  68           H        GLY  68   9.199  -1.704   8.123
  446    HA2  GLY  68           HA2      GLY  68  12.019  -1.540   8.655
  447    HA3  GLY  68           HA1      GLY  68  10.741  -1.271   9.842
  448    H    LEU  69           H        LEU  69  12.370  -2.491  11.236
  449    HA   LEU  69           HA       LEU  69  11.987  -5.438  10.885
  450    HB2  LEU  69           HB2      LEU  69  14.129  -5.369  12.498
  451    HB3  LEU  69           HB1      LEU  69  14.283  -5.318  10.742
  452    HG   LEU  69           HG       LEU  69  13.942  -2.758  12.277
  453   HD11  LEU  69          1HD1      LEU  69  16.000  -2.840  13.197
  454   HD12  LEU  69          2HD1      LEU  69  16.717  -3.384  11.681
  455   HD13  LEU  69          3HD1      LEU  69  16.027  -4.559  12.801
  456   HD21  LEU  69          3HD2      LEU  69  14.634  -1.786  10.318
  457   HD22  LEU  69          1HD2      LEU  69  14.057  -3.302   9.624
  458   HD23  LEU  69          2HD2      LEU  69  15.774  -3.083   9.959
  459    H    TYR  70           H        TYR  70   9.974  -4.154  12.151
  460    HA   TYR  70           HA       TYR  70  10.537  -4.303  15.069
  461    HB2  TYR  70           HB2      TYR  70   7.967  -3.418  13.740
  462    HB3  TYR  70           HB1      TYR  70   8.502  -3.086  15.388
  463    HD1  TYR  70           HD1      TYR  70  11.392  -2.447  14.821
  464    HD2  TYR  70           HD2      TYR  70   7.777  -1.206  12.862
  465    HE1  TYR  70           HE1      TYR  70  12.525  -0.384  14.040
  466    HE2  TYR  70           HE2      TYR  70   8.909   0.858  12.082
  467    HH   TYR  70           HH       TYR  70  11.846   1.326  11.739
  468    H    GLY  71           H        GLY  71   9.065  -5.563  16.431
  469    HA2  GLY  71           HA2      GLY  71   8.328  -8.101  15.149
  470    HA3  GLY  71           HA1      GLY  71   8.260  -7.755  16.877
  Start of MODEL    6
    1    H    GLY   1           HT1      GLY   1 -14.397 -11.780   2.939
    2    HA2  GLY   1           HA1      GLY   1 -14.014  -9.747   2.108
    3    HA3  GLY   1           HA2      GLY   1 -14.985 -10.352   0.765
    4    H    LYS   2           H        LYS   2 -14.683  -7.711   2.593
    5    HA   LYS   2           HA       LYS   2 -17.571  -7.272   3.097
    6    HB2  LYS   2           HB2      LYS   2 -15.185  -5.479   3.652
    7    HB3  LYS   2           HB1      LYS   2 -16.839  -5.197   4.197
    8    HG2  LYS   2           HG2      LYS   2 -15.045  -7.514   4.975
    9    HG3  LYS   2           HG1      LYS   2 -15.597  -6.206   6.023
   10    HD2  LYS   2           HD2      LYS   2 -17.989  -7.077   5.167
   11    HD3  LYS   2           HD1      LYS   2 -17.085  -8.584   5.015
   12    HE2  LYS   2           HE2      LYS   2 -16.599  -8.678   7.305
   13    HE3  LYS   2           HE1      LYS   2 -16.874  -6.950   7.532
   14    HZ1  LYS   2           HZ1      LYS   2 -18.858  -7.616   8.283
   15    HZ2  LYS   2           HZ2      LYS   2 -18.763  -9.136   7.530
   16    HZ3  LYS   2           HZ3      LYS   2 -19.263  -7.776   6.643
   17    H    GLU   3           H        GLU   3 -18.590  -5.286   2.245
   18    HA   GLU   3           HA       GLU   3 -17.744  -4.799  -0.551
   19    HB2  GLU   3           HB2      GLU   3 -19.921  -3.715  -0.797
   20    HB3  GLU   3           HB1      GLU   3 -20.138  -5.277  -0.006
   21    HG2  GLU   3           HG2      GLU   3 -19.632  -3.034   1.842
   22    HG3  GLU   3           HG1      GLU   3 -21.147  -2.918   0.949
   23    H    CYS   4           H        CYS   4 -16.231  -3.697   1.767
   24    HA   CYS   4           HA       CYS   4 -16.433  -0.830   0.969
   25    HB2  CYS   4           HB2      CYS   4 -16.062  -1.986   3.741
   26    HB3  CYS   4           HB1      CYS   4 -15.671  -0.312   3.357
   27    H    ASP   5           H        ASP   5 -14.752  -1.274  -0.529
   28    HA   ASP   5           HA       ASP   5 -12.215  -2.418   0.267
   29    HB2  ASP   5           HB2      ASP   5 -13.203  -2.243  -2.108
   30    HB3  ASP   5           HB1      ASP   5 -12.653  -0.567  -2.083
   31    H    CYS   6           H        CYS   6 -13.653   0.692   0.590
   32    HA   CYS   6           HA       CYS   6 -10.992   1.814   1.374
   33    HB2  CYS   6           HB2      CYS   6 -11.838   4.025   0.708
   34    HB3  CYS   6           HB1      CYS   6 -11.912   2.905  -0.653
   35    H    SER   7           H        SER   7 -11.273   3.639   3.027
   36    HA   SER   7           HA       SER   7 -13.489   2.935   4.910
   37    HB2  SER   7           HB2      SER   7 -11.466   4.104   6.430
   38    HB3  SER   7           HB1      SER   7 -11.841   2.384   6.349
   39    HG   SER   7           HG       SER   7  -9.607   3.305   5.740
   40    H    SER   8           H        SER   8 -12.518   5.259   2.825
   41    HA   SER   8           HA       SER   8 -13.348   7.497   4.614
   42    HB2  SER   8           HB2      SER   8 -11.738   7.417   2.062
   43    HB3  SER   8           HB1      SER   8 -12.426   8.917   2.679
   44    HG   SER   8           HG       SER   8 -11.348   8.124   4.745
   45    HA   PRO   9           HA       PRO   9 -17.118   7.277   2.213
   46    HB2  PRO   9           HB2      PRO   9 -18.454   9.172   3.694
   47    HB3  PRO   9           HB1      PRO   9 -18.275   7.481   4.198
   48    HG2  PRO   9           HG2      PRO   9 -16.871   9.905   5.227
   49    HG3  PRO   9           HG1      PRO   9 -17.223   8.376   6.050
   50    HD2  PRO   9           HD2      PRO   9 -14.726   9.128   4.957
   51    HD3  PRO   9           HD1      PRO   9 -15.188   7.491   5.468
   52    H    GLU  10           H        GLU  10 -14.771   9.589   2.206
   53    HA   GLU  10           HA       GLU  10 -16.314  11.295   0.297
   54    HB2  GLU  10           HB2      GLU  10 -14.365  12.161   2.447
   55    HB3  GLU  10           HB1      GLU  10 -14.851  13.209   1.113
   56    HG2  GLU  10           HG2      GLU  10 -16.806  13.693   2.119
   57    HG3  GLU  10           HG1      GLU  10 -17.171  11.980   2.339
   58    H    ASN  11           H        ASN  11 -14.607   9.010  -0.274
   59    HA   ASN  11           HA       ASN  11 -12.217  10.340  -1.463
   60    HB2  ASN  11           HB2      ASN  11 -12.350   8.052   0.022
   61    HB3  ASN  11           HB1      ASN  11 -12.448   7.395  -1.612
   62   HD21  ASN  11          1HD2      ASN  11 -10.218   6.508  -1.204
   63   HD22  ASN  11          2HD2      ASN  11  -8.877   7.533  -1.378
   64    HA   PRO  12           HA       PRO  12 -14.208   9.861  -5.397
   65    HB2  PRO  12           HB2      PRO  12 -12.037  10.572  -6.926
   66    HB3  PRO  12           HB1      PRO  12 -13.043  11.743  -6.056
   67    HG2  PRO  12           HG2      PRO  12 -10.303  10.769  -5.397
   68    HG3  PRO  12           HG1      PRO  12 -11.077  12.306  -4.980
   69    HD2  PRO  12           HD2      PRO  12 -10.746  10.090  -3.247
   70    HD3  PRO  12           HD1      PRO  12 -11.789  11.498  -2.958
   71    H    CYS  13           H        CYS  13 -10.939   8.521  -4.899
   72    HA   CYS  13           HA       CYS  13 -10.909   6.681  -7.056
   73    HB2  CYS  13           HB2      CYS  13  -9.702   6.361  -4.289
   74    HB3  CYS  13           HB1      CYS  13  -9.241   5.440  -5.718
   75    H    CYS  14           H        CYS  14 -12.475   6.547  -3.919
   76    HA   CYS  14           HA       CYS  14 -13.550   3.845  -4.631
   77    HB2  CYS  14           HB2      CYS  14 -12.256   3.644  -2.628
   78    HB3  CYS  14           HB1      CYS  14 -12.943   5.120  -1.953
   79    H    ASP  15           H        ASP  15 -15.793   3.471  -3.968
   80    HA   ASP  15           HA       ASP  15 -17.441   5.910  -4.302
   81    HB2  ASP  15           HB2      ASP  15 -17.755   3.659  -5.582
   82    HB3  ASP  15           HB1      ASP  15 -18.495   3.096  -4.080
   83    H    ALA  16           H        ALA  16 -18.303   6.869  -2.518
   84    HA   ALA  16           HA       ALA  16 -17.979   5.812   0.121
   85    HB1  ALA  16           HB1      ALA  16 -18.358   8.257  -0.585
   86    HB2  ALA  16           HB2      ALA  16 -19.196   7.711   0.868
   87    HB3  ALA  16           HB3      ALA  16 -20.073   7.847  -0.656
   88    H    ALA  17           H        ALA  17 -20.616   5.604  -2.217
   89    HA   ALA  17           HA       ALA  17 -22.612   4.613  -0.413
   90    HB1  ALA  17           HB1      ALA  17 -22.260   4.120  -3.386
   91    HB2  ALA  17           HB2      ALA  17 -23.194   5.424  -2.653
   92    HB3  ALA  17           HB3      ALA  17 -23.717   3.751  -2.465
   93    H    THR  18           H        THR  18 -20.699   2.759  -2.817
   94    HA   THR  18           HA       THR  18 -21.165   0.320  -1.199
   95    HB   THR  18           HB       THR  18 -21.497   0.220  -3.660
   96    HG1  THR  18           HG1      THR  18 -20.852  -1.658  -2.628
   97   HG21  THR  18          3HG2      THR  18 -19.991   1.709  -4.625
   98   HG22  THR  18          1HG2      THR  18 -19.195   0.166  -4.935
   99   HG23  THR  18          2HG2      THR  18 -18.657   1.183  -3.599
  100    H    CYS  19           H        CYS  19 -19.189   2.687  -0.705
  101    HA   CYS  19           HA       CYS  19 -16.891   2.967  -0.167
  102    HB2  CYS  19           HB2      CYS  19 -16.293   0.996   1.524
  103    HB3  CYS  19           HB1      CYS  19 -17.391   2.292   1.967
  104    H    LYS  20           H        LYS  20 -17.079   1.625  -2.684
  105    HA   LYS  20           HA       LYS  20 -14.627  -0.066  -2.440
  106    HB2  LYS  20           HB2      LYS  20 -17.132  -0.718  -4.008
  107    HB3  LYS  20           HB1      LYS  20 -15.581  -1.505  -4.304
  108    HG2  LYS  20           HG2      LYS  20 -15.569  -2.565  -2.212
  109    HG3  LYS  20           HG1      LYS  20 -16.708  -1.416  -1.513
  110    HD2  LYS  20           HD2      LYS  20 -18.032  -3.326  -1.858
  111    HD3  LYS  20           HD1      LYS  20 -18.376  -2.345  -3.284
  112    HE2  LYS  20           HE2      LYS  20 -16.025  -4.065  -3.617
  113    HE3  LYS  20           HE1      LYS  20 -17.509  -4.972  -3.329
  114    HZ1  LYS  20           HZ1      LYS  20 -18.215  -2.990  -5.084
  115    HZ2  LYS  20           HZ2      LYS  20 -17.977  -4.631  -5.455
  116    HZ3  LYS  20           HZ3      LYS  20 -16.705  -3.522  -5.643
  117    H    LEU  21           H        LEU  21 -13.668  -0.381  -4.774
  118    HA   LEU  21           HA       LEU  21 -13.020   2.190  -5.807
  119    HB2  LEU  21           HB2      LEU  21 -12.644  -0.626  -6.759
  120    HB3  LEU  21           HB1      LEU  21 -12.315   0.698  -7.878
  121    HG   LEU  21           HG       LEU  21 -11.192   1.123  -5.197
  122   HD11  LEU  21          1HD1      LEU  21 -10.984  -1.385  -5.516
  123   HD12  LEU  21          2HD1      LEU  21  -9.457  -0.525  -5.324
  124   HD13  LEU  21          3HD1      LEU  21  -9.981  -1.044  -6.927
  125   HD21  LEU  21          3HD2      LEU  21 -10.689   1.749  -7.976
  126   HD22  LEU  21          1HD2      LEU  21  -9.225   1.121  -7.219
  127   HD23  LEU  21          2HD2      LEU  21 -10.040   2.526  -6.531
  128    H    ARG  22           H        ARG  22 -14.305   3.534  -6.974
  129    HA   ARG  22           HA       ARG  22 -16.714   2.472  -8.274
  130    HB2  ARG  22           HB2      ARG  22 -16.026   4.928  -7.124
  131    HB3  ARG  22           HB1      ARG  22 -16.154   5.263  -8.852
  132    HG2  ARG  22           HG2      ARG  22 -18.305   3.524  -8.099
  133    HG3  ARG  22           HG1      ARG  22 -18.275   4.897  -6.992
  134    HD2  ARG  22           HD2      ARG  22 -18.003   6.346  -9.124
  135    HD3  ARG  22           HD1      ARG  22 -18.551   4.914  -9.994
  136    HE   ARG  22           HE       ARG  22 -20.671   5.058  -8.725
  137   HH11  ARG  22          1HH1      ARG  22 -19.053   7.002  -6.769
  138   HH12  ARG  22          2HH1      ARG  22 -19.980   8.443  -7.017
  139   HH21  ARG  22          1HH2      ARG  22 -21.628   7.219  -9.812
  140   HH22  ARG  22          2HH2      ARG  22 -21.439   8.567  -8.740
  141    HA   PRO  23           HA       PRO  23 -14.462   4.040 -12.166
  142    HB2  PRO  23           HB2      PRO  23 -11.922   5.048 -11.878
  143    HB3  PRO  23           HB1      PRO  23 -13.386   6.041 -11.761
  144    HG2  PRO  23           HG2      PRO  23 -11.577   5.104  -9.587
  145    HG3  PRO  23           HG1      PRO  23 -12.637   6.522  -9.630
  146    HD2  PRO  23           HD2      PRO  23 -13.168   4.072  -8.301
  147    HD3  PRO  23           HD1      PRO  23 -14.328   5.385  -8.589
  148    H    GLY  24           H        GLY  24 -12.370   3.313 -13.482
  149    HA2  GLY  24           HA2      GLY  24 -11.850   0.538 -12.738
  150    HA3  GLY  24           HA1      GLY  24 -11.238   1.356 -14.176
  151    H    ALA  25           H        ALA  25 -10.872   1.797 -10.637
  152    HA   ALA  25           HA       ALA  25  -7.955   2.201 -11.115
  153    HB1  ALA  25           HB1      ALA  25  -8.130   3.907  -9.664
  154    HB2  ALA  25           HB2      ALA  25  -8.737   2.812  -8.422
  155    HB3  ALA  25           HB3      ALA  25  -9.861   3.598  -9.531
  156    H    GLN  26           H        GLN  26  -6.482   1.245  -9.469
  157    HA   GLN  26           HA       GLN  26  -7.241  -1.517  -8.915
  158    HB2  GLN  26           HB2      GLN  26  -4.809  -0.003  -9.129
  159    HB3  GLN  26           HB1      GLN  26  -4.819  -0.851  -7.581
  160    HG2  GLN  26           HG2      GLN  26  -4.460  -2.825  -8.597
  161    HG3  GLN  26           HG1      GLN  26  -5.835  -2.567  -9.663
  162   HE21  GLN  26          1HE2      GLN  26  -5.412  -1.316 -11.700
  163   HE22  GLN  26          2HE2      GLN  26  -3.845  -1.286 -12.351
  164    H    CYS  27           H        CYS  27  -6.180   1.207  -6.853
  165    HA   CYS  27           HA       CYS  27  -7.776  -0.032  -4.650
  166    HB2  CYS  27           HB2      CYS  27  -5.667  -0.382  -3.798
  167    HB3  CYS  27           HB1      CYS  27  -4.954   0.924  -4.736
  168    H    GLY  28           H        GLY  28  -8.709   1.504  -3.155
  169    HA2  GLY  28           HA2      GLY  28  -9.285   4.117  -4.430
  170    HA3  GLY  28           HA1      GLY  28 -10.213   3.393  -3.123
  171    H    GLU  29           H        GLU  29  -7.962   2.692  -1.512
  172    HA   GLU  29           HA       GLU  29  -6.576   5.243  -0.985
  173    HB2  GLU  29           HB2      GLU  29  -7.326   5.259   1.351
  174    HB3  GLU  29           HB1      GLU  29  -8.694   5.397   0.261
  175    HG2  GLU  29           HG2      GLU  29  -9.605   3.574   1.201
  176    HG3  GLU  29           HG1      GLU  29  -8.225   2.626   0.645
  177    H    GLY  30           H        GLY  30  -4.591   4.908   0.084
  178    HA2  GLY  30           HA2      GLY  30  -3.741   2.860   1.713
  179    HA3  GLY  30           HA1      GLY  30  -3.616   2.150   0.104
  180    H    LEU  31           H        LEU  31  -1.383   2.710   1.852
  181    HA   LEU  31           HA       LEU  31  -0.046   5.147   1.200
  182    HB2  LEU  31           HB2      LEU  31   0.696   2.527   2.368
  183    HB3  LEU  31           HB1      LEU  31   2.016   3.420   1.613
  184    HG   LEU  31           HG       LEU  31   1.602   5.348   3.000
  185   HD11  LEU  31          1HD1      LEU  31  -0.569   5.740   3.506
  186   HD12  LEU  31          2HD1      LEU  31  -0.333   4.624   4.851
  187   HD13  LEU  31          3HD1      LEU  31  -0.998   4.039   3.326
  188   HD21  LEU  31          3HD2      LEU  31   1.239   3.439   5.181
  189   HD22  LEU  31          1HD2      LEU  31   2.649   4.419   4.777
  190   HD23  LEU  31          2HD2      LEU  31   2.402   2.862   3.986
  191    H    CYS  32           H        CYS  32  -0.534   2.216  -0.599
  192    HA   CYS  32           HA       CYS  32   1.466   3.139  -2.619
  193    HB2  CYS  32           HB2      CYS  32   1.070   0.614  -1.485
  194    HB3  CYS  32           HB1      CYS  32   0.350   0.492  -3.091
  195    H    CYS  33           H        CYS  33  -1.357   4.107  -2.219
  196    HA   CYS  33           HA       CYS  33  -2.521   3.204  -4.814
  197    HB2  CYS  33           HB2      CYS  33  -3.904   4.718  -2.583
  198    HB3  CYS  33           HB1      CYS  33  -4.663   3.962  -3.985
  199    H    GLU  34           H        GLU  34  -1.574   4.568  -6.309
  200    HA   GLU  34           HA       GLU  34  -1.643   7.496  -5.747
  201    HB2  GLU  34           HB2      GLU  34   0.402   5.895  -6.725
  202    HB3  GLU  34           HB1      GLU  34  -0.256   6.640  -8.182
  203    HG2  GLU  34           HG2      GLU  34   0.443   8.727  -7.588
  204    HG3  GLU  34           HG1      GLU  34   0.077   8.471  -5.882
  205    H    GLN  35           H        GLN  35  -3.225   8.633  -6.759
  206    HA   GLN  35           HA       GLN  35  -4.890   9.196  -8.309
  207    HB2  GLN  35           HB2      GLN  35  -2.739   8.762  -9.807
  208    HB3  GLN  35           HB1      GLN  35  -3.673   7.365 -10.343
  209    HG2  GLN  35           HG2      GLN  35  -5.606   9.207 -10.518
  210    HG3  GLN  35           HG1      GLN  35  -4.218  10.273 -10.736
  211   HE21  GLN  35          1HE2      GLN  35  -6.285   8.072 -12.356
  212   HE22  GLN  35          2HE2      GLN  35  -5.375   7.904 -13.778
  213    H    CYS  36           H        CYS  36  -5.199   6.850  -6.567
  214    HA   CYS  36           HA       CYS  36  -6.925   5.270  -6.273
  215    HB2  CYS  36           HB2      CYS  36  -7.692   5.634  -9.168
  216    HB3  CYS  36           HB1      CYS  36  -8.717   5.172  -7.805
  217    H    LYS  37           H        LYS  37  -4.225   5.001  -7.999
  218    HA   LYS  37           HA       LYS  37  -4.783   2.154  -8.738
  219    HB2  LYS  37           HB2      LYS  37  -2.925   4.131 -10.094
  220    HB3  LYS  37           HB1      LYS  37  -3.019   2.415 -10.487
  221    HG2  LYS  37           HG2      LYS  37  -5.049   2.625 -11.534
  222    HG3  LYS  37           HG1      LYS  37  -5.590   3.908 -10.452
  223    HD2  LYS  37           HD2      LYS  37  -5.175   4.705 -12.791
  224    HD3  LYS  37           HD1      LYS  37  -4.182   5.531 -11.590
  225    HE2  LYS  37           HE2      LYS  37  -2.282   4.093 -12.113
  226    HE3  LYS  37           HE1      LYS  37  -3.266   3.156 -13.237
  227    HZ1  LYS  37           HZ1      LYS  37  -3.628   5.672 -14.115
  228    HZ2  LYS  37           HZ2      LYS  37  -2.488   4.583 -14.748
  229    HZ3  LYS  37           HZ3      LYS  37  -2.018   5.733 -13.587
  230    H    PHE  38           H        PHE  38  -2.575   0.902  -8.816
  231    HA   PHE  38           HA       PHE  38  -1.335   1.232  -6.193
  232    HB2  PHE  38           HB2      PHE  38  -0.830  -0.664  -8.498
  233    HB3  PHE  38           HB1      PHE  38   0.118  -0.698  -7.016
  234    HD1  PHE  38           HD1      PHE  38  -2.348   0.122  -5.214
  235    HD2  PHE  38           HD2      PHE  38  -1.711  -2.902  -8.201
  236    HE1  PHE  38           HE1      PHE  38  -4.080  -1.296  -4.156
  237    HE2  PHE  38           HE2      PHE  38  -3.446  -4.315  -7.136
  238    HZ   PHE  38           HZ       PHE  38  -4.631  -3.512  -5.114
  239    H    SER  39           H        SER  39   0.437   2.455  -5.785
  240    HA   SER  39           HA       SER  39   1.732   4.018  -7.793
  241    HB2  SER  39           HB2      SER  39   2.932   3.229  -5.129
  242    HB3  SER  39           HB1      SER  39   3.260   4.685  -6.064
  243    HG   SER  39           HG       SER  39   1.698   5.515  -4.934
  244    H    ARG  40           H        ARG  40   4.522   3.389  -6.799
  245    HA   ARG  40           HA       ARG  40   4.935   0.912  -8.427
  246    HB2  ARG  40           HB2      ARG  40   6.523   3.475  -8.268
  247    HB3  ARG  40           HB1      ARG  40   7.258   1.975  -8.840
  248    HG2  ARG  40           HG2      ARG  40   6.394   2.417 -10.872
  249    HG3  ARG  40           HG1      ARG  40   4.795   2.140 -10.180
  250    HD2  ARG  40           HD2      ARG  40   4.361   4.299 -10.692
  251    HD3  ARG  40           HD1      ARG  40   5.408   4.707  -9.333
  252    HE   ARG  40           HE       ARG  40   7.295   4.664 -11.110
  253   HH11  ARG  40          1HH2      ARG  40   4.522   4.281 -12.815
  254   HH12  ARG  40          2HH2      ARG  40   4.620   5.755 -13.719
  255   HH21  ARG  40          1HH1      ARG  40   7.205   7.063 -11.811
  256   HH22  ARG  40          2HH1      ARG  40   6.139   7.330 -13.151
  257    H    ALA  41           H        ALA  41   6.796  -0.401  -7.761
  258    HA   ALA  41           HA       ALA  41   6.953  -0.671  -4.886
  259    HB1  ALA  41           HB1      ALA  41   7.914  -2.693  -5.329
  260    HB2  ALA  41           HB2      ALA  41   9.023  -2.013  -6.521
  261    HB3  ALA  41           HB3      ALA  41   7.359  -2.383  -6.973
  262    H    GLY  42           H        GLY  42   9.099  -0.700  -3.725
  263    HA2  GLY  42           HA2      GLY  42  11.115   0.360  -3.121
  264    HA3  GLY  42           HA1      GLY  42  11.325   0.786  -4.822
  265    H    LYS  43           H        LYS  43   8.344   1.602  -3.235
  266    HA   LYS  43           HA       LYS  43   9.151   4.479  -3.429
  267    HB2  LYS  43           HB2      LYS  43   7.196   4.572  -4.567
  268    HB3  LYS  43           HB1      LYS  43   6.686   2.994  -3.984
  269    HG2  LYS  43           HG2      LYS  43   5.112   4.693  -3.206
  270    HG3  LYS  43           HG1      LYS  43   6.002   4.057  -1.824
  271    HD2  LYS  43           HD2      LYS  43   6.726   6.129  -1.333
  272    HD3  LYS  43           HD1      LYS  43   7.499   6.237  -2.915
  273    HE2  LYS  43           HE2      LYS  43   4.587   6.867  -2.340
  274    HE3  LYS  43           HE1      LYS  43   5.859   8.062  -2.594
  275    HZ1  LYS  43           HZ1      LYS  43   6.245   7.003  -4.795
  276    HZ2  LYS  43           HZ2      LYS  43   4.729   7.755  -4.642
  277    HZ3  LYS  43           HZ3      LYS  43   4.856   6.064  -4.542
  278    H    ILE  44           H        ILE  44   9.474   5.611  -1.582
  279    HA   ILE  44           HA       ILE  44   9.377   4.395   0.988
  280    HB   ILE  44           HB       ILE  44  10.808   6.271   0.741
  281   HG12  ILE  44          2HG1      ILE  44  10.194   7.674   2.542
  282   HG13  ILE  44          1HG1      ILE  44   8.475   7.543   2.178
  283   HG21  ILE  44          1HG2      ILE  44   8.621   7.239  -0.867
  284   HG22  ILE  44          2HG2      ILE  44  10.296   7.793  -0.825
  285   HG23  ILE  44          3HG2      ILE  44   9.111   8.481   0.286
  286   HD11  ILE  44          3HD1      ILE  44   8.298   5.419   3.122
  287   HD12  ILE  44          1HD1      ILE  44   9.501   6.164   4.174
  288   HD13  ILE  44          2HD1      ILE  44  10.010   5.067   2.893
  289    H    CYS  45           H        CYS  45   7.186   3.462   0.923
  290    HA   CYS  45           HA       CYS  45   4.774   4.935   0.776
  291    HB2  CYS  45           HB2      CYS  45   3.913   3.073   2.359
  292    HB3  CYS  45           HB1      CYS  45   4.546   2.583   0.788
  293    H    ARG  46           H        ARG  46   6.865   4.263   3.579
  294    HA   ARG  46           HA       ARG  46   5.633   6.596   4.944
  295    HB2  ARG  46           HB2      ARG  46   4.703   4.151   5.589
  296    HB3  ARG  46           HB1      ARG  46   6.117   4.199   6.642
  297    HG2  ARG  46           HG2      ARG  46   5.232   6.606   7.240
  298    HG3  ARG  46           HG1      ARG  46   3.695   5.974   6.647
  299    HD2  ARG  46           HD2      ARG  46   5.381   4.573   8.738
  300    HD3  ARG  46           HD1      ARG  46   4.056   5.668   9.130
  301    HE   ARG  46           HE       ARG  46   3.555   3.267   7.430
  302   HH11  ARG  46          1HH1      ARG  46   3.637   2.761  10.403
  303   HH12  ARG  46          2HH1      ARG  46   1.974   2.962  10.841
  304   HH21  ARG  46          1HH2      ARG  46   1.121   4.591   7.899
  305   HH22  ARG  46          2HH2      ARG  46   0.547   3.999   9.423
  306    H    ILE  47           H        ILE  47   7.182   7.813   5.929
  307    HA   ILE  47           HA       ILE  47   9.956   7.195   5.651
  308    HB   ILE  47           HB       ILE  47   8.852   9.492   5.989
  309   HG12  ILE  47          2HG1      ILE  47  10.865  10.338   7.256
  310   HG13  ILE  47          1HG1      ILE  47  11.314   8.657   7.547
  311   HG21  ILE  47          1HG2      ILE  47   9.310   8.997   8.914
  312   HG22  ILE  47          2HG2      ILE  47   7.768   8.538   8.192
  313   HG23  ILE  47          3HG2      ILE  47   8.304  10.218   8.135
  314   HD11  ILE  47          3HD1      ILE  47  12.285   9.944   5.454
  315   HD12  ILE  47          1HD1      ILE  47  10.726   9.530   4.741
  316   HD13  ILE  47          2HD1      ILE  47  11.801   8.254   5.310
  317    H    ALA  48           H        ALA  48  11.508   6.726   7.373
  318    HA   ALA  48           HA       ALA  48  10.497   4.704   9.220
  319    HB1  ALA  48           HB1      ALA  48  13.116   5.630   8.253
  320    HB2  ALA  48           HB2      ALA  48  12.599   4.009   8.720
  321    HB3  ALA  48           HB3      ALA  48  13.114   5.159   9.953
  322    H    ARG  49           H        ARG  49  10.528   4.844  11.514
  323    HA   ARG  49           HA       ARG  49  10.056   7.522  12.568
  324    HB2  ARG  49           HB2      ARG  49  10.321   4.900  14.072
  325    HB3  ARG  49           HB1      ARG  49   9.584   6.387  14.671
  326    HG2  ARG  49           HG2      ARG  49   8.595   4.628  12.412
  327    HG3  ARG  49           HG1      ARG  49   7.789   4.955  13.946
  328    HD2  ARG  49           HD2      ARG  49   8.329   6.945  11.726
  329    HD3  ARG  49           HD1      ARG  49   6.756   6.326  12.227
  330    HE   ARG  49           HE       ARG  49   8.185   7.623  14.406
  331   HH11  ARG  49          1HH1      ARG  49   5.200   7.548  13.271
  332   HH12  ARG  49          2HH1      ARG  49   4.949   9.253  13.094
  333   HH21  ARG  49          1HH2      ARG  49   8.302  10.052  13.475
  334   HH22  ARG  49          2HH2      ARG  49   6.707  10.671  13.210
  335    H    GLY  50           H        GLY  50  12.330   8.217  11.910
  336    HA2  GLY  50           HA2      GLY  50  14.010   8.982  13.818
  337    HA3  GLY  50           HA1      GLY  50  14.434   7.272  13.778
  338    H    ASP  51           H        ASP  51  15.696   6.518  12.090
  339    HA   ASP  51           HA       ASP  51  16.076   7.842   9.590
  340    HB2  ASP  51           HB2      ASP  51  17.627   8.881  11.837
  341    HB3  ASP  51           HB1      ASP  51  18.657   8.309  10.524
  342    H    TRP  52           H        TRP  52  15.672   5.248   9.981
  343    HA   TRP  52           HA       TRP  52  18.355   4.037   9.494
  344    HB2  TRP  52           HB2      TRP  52  17.193   1.926  10.593
  345    HB3  TRP  52           HB1      TRP  52  17.948   3.154  11.602
  346    HD1  TRP  52           HD       TRP  52  14.454   3.038   9.911
  347    HE1  TRP  52           HE1      TRP  52  12.685   3.559  11.705
  348    HE3  TRP  52           HE3      TRP  52  17.470   3.537  14.005
  349    HZ2  TRP  52           HZ2      TRP  52  12.560   4.119  14.506
  350    HZ3  TRP  52           HZ3      TRP  52  16.496   4.068  16.221
  351    HH2  TRP  52           HH       TRP  52  14.047   4.357  16.476
  352    H    ASN  53           H        ASN  53  15.778   1.792   9.475
  353    HA   ASN  53           HA       ASN  53  15.861   1.768   6.515
  354    HB2  ASN  53           HB2      ASN  53  15.991  -0.281   8.277
  355    HB3  ASN  53           HB1      ASN  53  14.248  -0.235   8.008
  356   HD21  ASN  53          1HD2      ASN  53  15.659  -2.465   7.060
  357   HD22  ASN  53          2HD2      ASN  53  15.734  -2.418   5.365
  358    H    ASP  54           H        ASP  54  14.278   2.841   5.438
  359    HA   ASP  54           HA       ASP  54  11.862   3.708   6.852
  360    HB2  ASP  54           HB2      ASP  54  12.250   3.997   3.886
  361    HB3  ASP  54           HB1      ASP  54  11.468   5.101   5.019
  362    H    ASP  55           H        ASP  55  10.256   3.482   4.306
  363    HA   ASP  55           HA       ASP  55   9.755   0.541   4.315
  364    HB2  ASP  55           HB2      ASP  55   7.595   2.664   4.429
  365    HB3  ASP  55           HB1      ASP  55   7.366   0.917   4.494
  366    H    ARG  56           H        ARG  56   9.995  -0.123   2.245
  367    HA   ARG  56           HA       ARG  56   9.568   1.807   0.033
  368    HB2  ARG  56           HB2      ARG  56  10.625  -1.036  -0.009
  369    HB3  ARG  56           HB1      ARG  56  10.637   0.096  -1.360
  370    HG2  ARG  56           HG2      ARG  56  11.872   1.000   1.201
  371    HG3  ARG  56           HG1      ARG  56  12.759  -0.188   0.244
  372    HD2  ARG  56           HD2      ARG  56  12.164   1.454  -1.748
  373    HD3  ARG  56           HD1      ARG  56  12.023   2.633  -0.444
  374    HE   ARG  56           HE       ARG  56  14.484   1.125  -0.235
  375   HH11  ARG  56          1HH1      ARG  56  12.847   3.823  -1.622
  376   HH12  ARG  56          2HH1      ARG  56  14.302   4.616  -2.125
  377   HH21  ARG  56          1HH2      ARG  56  16.389   2.090  -0.996
  378   HH22  ARG  56          2HH2      ARG  56  16.304   3.637  -1.771
  379    H    CYS  57           H        CYS  57   7.875   1.690  -1.345
  380    HA   CYS  57           HA       CYS  57   5.592   0.052  -0.712
  381    HB2  CYS  57           HB2      CYS  57   6.157   2.281  -2.370
  382    HB3  CYS  57           HB1      CYS  57   5.516   1.024  -3.422
  383    H    THR  58           H        THR  58   4.760  -1.709  -1.933
  384    HA   THR  58           HA       THR  58   6.802  -3.430  -3.100
  385    HB   THR  58           HB       THR  58   4.166  -4.438  -3.559
  386    HG1  THR  58           HG1      THR  58   3.521  -4.357  -1.312
  387   HG21  THR  58          3HG2      THR  58   6.650  -5.137  -2.219
  388   HG22  THR  58          1HG2      THR  58   5.448  -6.192  -2.966
  389   HG23  THR  58          2HG2      THR  58   5.247  -5.672  -1.293
  390    H    GLY  59           H        GLY  59   4.456  -1.178  -4.303
  391    HA2  GLY  59           HA2      GLY  59   4.282  -0.384  -6.536
  392    HA3  GLY  59           HA1      GLY  59   5.410  -1.645  -7.037
  393    H    GLN  60           H        GLN  60   2.635  -2.464  -5.100
  394    HA   GLN  60           HA       GLN  60   0.873  -3.092  -7.310
  395    HB2  GLN  60           HB2      GLN  60   2.873  -4.874  -7.196
  396    HB3  GLN  60           HB1      GLN  60   1.820  -5.584  -5.970
  397    HG2  GLN  60           HG2      GLN  60   0.103  -4.882  -8.075
  398    HG3  GLN  60           HG1      GLN  60   1.521  -5.580  -8.858
  399   HE21  GLN  60          1HE2      GLN  60   0.075  -7.469  -9.393
  400   HE22  GLN  60          2HE2      GLN  60  -0.209  -8.648  -8.206
  401    H    SER  61           H        SER  61   1.806  -3.621  -3.940
  402    HA   SER  61           HA       SER  61  -0.988  -4.308  -3.236
  403    HB2  SER  61           HB2      SER  61   1.657  -4.530  -1.937
  404    HB3  SER  61           HB1      SER  61   0.335  -4.110  -0.853
  405    HG   SER  61           HG       SER  61   0.926  -6.476  -1.749
  406    H    ALA  62           H        ALA  62  -2.400  -2.702  -2.750
  407    HA   ALA  62           HA       ALA  62  -1.802   0.041  -2.648
  408    HB1  ALA  62           HB1      ALA  62  -3.960  -0.129  -0.961
  409    HB2  ALA  62           HB2      ALA  62  -4.074  -1.659  -1.831
  410    HB3  ALA  62           HB3      ALA  62  -4.072  -0.138  -2.721
  411    H    ASP  63           H        ASP  63  -2.045  -2.280   0.050
  412    HA   ASP  63           HA       ASP  63  -1.256  -0.252   2.006
  413    HB2  ASP  63           HB2      ASP  63  -2.704  -2.000   2.797
  414    HB3  ASP  63           HB1      ASP  63  -1.632  -3.252   2.171
  415    H    CYS  64           H        CYS  64   0.810   0.153   2.695
  416    HA   CYS  64           HA       CYS  64   3.016  -1.061   1.221
  417    HB2  CYS  64           HB2      CYS  64   3.358   1.218   1.689
  418    HB3  CYS  64           HB1      CYS  64   2.790   1.067   3.346
  419    HA   PRO  65           HA       PRO  65   3.819  -4.294   4.027
  420    HB2  PRO  65           HB2      PRO  65   6.297  -4.898   3.040
  421    HB3  PRO  65           HB1      PRO  65   4.799  -5.371   2.240
  422    HG2  PRO  65           HG2      PRO  65   6.757  -3.255   1.504
  423    HG3  PRO  65           HG1      PRO  65   5.619  -4.139   0.473
  424    HD2  PRO  65           HD2      PRO  65   5.286  -1.505   1.434
  425    HD3  PRO  65           HD1      PRO  65   4.034  -2.514   0.681
  426    H    ARG  66           H        ARG  66   5.101  -4.669   5.923
  427    HA   ARG  66           HA       ARG  66   6.390  -2.299   7.026
  428    HB2  ARG  66           HB2      ARG  66   5.335  -4.787   8.024
  429    HB3  ARG  66           HB1      ARG  66   6.972  -4.554   8.641
  430    HG2  ARG  66           HG2      ARG  66   5.449  -2.075   8.704
  431    HG3  ARG  66           HG1      ARG  66   4.651  -3.349   9.627
  432    HD2  ARG  66           HD2      ARG  66   7.475  -3.449  10.148
  433    HD3  ARG  66           HD1      ARG  66   6.903  -1.801  10.401
  434    HE   ARG  66           HE       ARG  66   6.124  -4.160  11.976
  435   HH11  ARG  66          1HH1      ARG  66   6.801  -1.156  12.667
  436   HH12  ARG  66          2HH1      ARG  66   5.277  -0.674  13.332
  437   HH21  ARG  66          1HH2      ARG  66   3.575  -3.442  12.124
  438   HH22  ARG  66          2HH2      ARG  66   3.449  -1.968  13.026
  439    H    ASN  67           H        ASN  67   8.413  -1.771   6.343
  440    HA   ASN  67           HA       ASN  67  10.442  -3.960   6.238
  441    HB2  ASN  67           HB2      ASN  67   9.648  -2.049   4.117
  442    HB3  ASN  67           HB1      ASN  67  11.385  -2.230   4.358
  443   HD21  ASN  67          1HD2      ASN  67  10.183  -3.193   1.969
  444   HD22  ASN  67          2HD2      ASN  67  10.239  -4.889   1.972
  445    H    GLY  68           H        GLY  68   9.626  -1.647   8.128
  446    HA2  GLY  68           HA2      GLY  68  11.895   0.173   8.064
  447    HA3  GLY  68           HA1      GLY  68  10.706   0.048   9.361
  448    H    LEU  69           H        LEU  69  11.883  -0.311  11.196
  449    HA   LEU  69           HA       LEU  69  14.027  -2.392  11.080
  450    HB2  LEU  69           HB2      LEU  69  14.553   0.055  11.781
  451    HB3  LEU  69           HB1      LEU  69  13.731  -0.359  13.286
  452    HG   LEU  69           HG       LEU  69  15.468  -2.514  12.757
  453   HD11  LEU  69          1HD1      LEU  69  16.914   0.139  12.496
  454   HD12  LEU  69          2HD1      LEU  69  16.599  -0.949  11.143
  455   HD13  LEU  69          3HD1      LEU  69  17.638  -1.469  12.470
  456   HD21  LEU  69          3HD2      LEU  69  15.400  -2.091  14.989
  457   HD22  LEU  69          1HD2      LEU  69  15.072  -0.377  14.741
  458   HD23  LEU  69          2HD2      LEU  69  16.729  -0.977  14.671
  459    H    TYR  70           H        TYR  70  10.884  -1.852  12.116
  460    HA   TYR  70           HA       TYR  70  11.162  -3.664  14.463
  461    HB2  TYR  70           HB2      TYR  70   8.670  -2.209  13.547
  462    HB3  TYR  70           HB1      TYR  70   8.979  -2.926  15.129
  463    HD1  TYR  70           HD1      TYR  70  11.583  -2.059  15.914
  464    HD2  TYR  70           HD2      TYR  70   8.600   0.115  13.719
  465    HE1  TYR  70           HE1      TYR  70  12.569   0.077  16.693
  466    HE2  TYR  70           HE2      TYR  70   9.586   2.253  14.497
  467    HH   TYR  70           HH       TYR  70  11.064   2.908  16.676
  468    H    GLY  71           H        GLY  71   9.111  -5.197  14.620
  469    HA2  GLY  71           HA2      GLY  71   7.972  -6.149  12.141
  470    HA3  GLY  71           HA1      GLY  71   9.304  -7.183  12.661
  Start of MODEL    7
    1    H    GLY   1           HT1      GLY   1 -19.345  -8.513   6.652
    2    HA2  GLY   1           HA1      GLY   1 -19.688  -7.044   4.984
    3    HA3  GLY   1           HA2      GLY   1 -19.612  -5.919   6.340
    4    H    LYS   2           H        LYS   2 -17.863  -7.204   3.581
    5    HA   LYS   2           HA       LYS   2 -15.748  -5.138   4.033
    6    HB2  LYS   2           HB2      LYS   2 -14.856  -7.422   3.933
    7    HB3  LYS   2           HB1      LYS   2 -15.658  -7.683   2.383
    8    HG2  LYS   2           HG2      LYS   2 -13.905  -6.773   1.310
    9    HG3  LYS   2           HG1      LYS   2 -14.136  -5.268   2.200
   10    HD2  LYS   2           HD2      LYS   2 -12.577  -7.671   3.196
   11    HD3  LYS   2           HD1      LYS   2 -11.869  -6.182   2.569
   12    HE2  LYS   2           HE2      LYS   2 -12.162  -5.117   4.534
   13    HE3  LYS   2           HE1      LYS   2 -13.845  -5.632   4.634
   14    HZ1  LYS   2           HZ1      LYS   2 -11.438  -7.135   5.487
   15    HZ2  LYS   2           HZ2      LYS   2 -12.971  -7.853   5.338
   16    HZ3  LYS   2           HZ3      LYS   2 -12.723  -6.597   6.455
   17    H    GLU   3           H        GLU   3 -18.218  -4.334   2.945
   18    HA   GLU   3           HA       GLU   3 -17.894  -4.249   0.011
   19    HB2  GLU   3           HB2      GLU   3 -20.072  -3.975   1.838
   20    HB3  GLU   3           HB1      GLU   3 -19.935  -2.466   0.933
   21    HG2  GLU   3           HG2      GLU   3 -20.381  -3.475  -1.093
   22    HG3  GLU   3           HG1      GLU   3 -19.695  -5.021  -0.592
   23    H    CYS   4           H        CYS   4 -16.569  -2.599   2.559
   24    HA   CYS   4           HA       CYS   4 -16.433  -0.037   1.020
   25    HB2  CYS   4           HB2      CYS   4 -16.041  -0.659   3.962
   26    HB3  CYS   4           HB1      CYS   4 -15.633   0.900   3.253
   27    H    ASP   5           H        ASP   5 -14.720  -0.452  -0.340
   28    HA   ASP   5           HA       ASP   5 -12.288  -1.765   0.579
   29    HB2  ASP   5           HB2      ASP   5 -13.131  -1.933  -1.770
   30    HB3  ASP   5           HB1      ASP   5 -12.800  -0.213  -1.981
   31    H    CYS   6           H        CYS   6 -13.506   1.448   0.604
   32    HA   CYS   6           HA       CYS   6 -10.772   2.444   1.303
   33    HB2  CYS   6           HB2      CYS   6 -11.403   4.625   0.339
   34    HB3  CYS   6           HB1      CYS   6 -11.505   3.353  -0.879
   35    H    SER   7           H        SER   7 -10.949   4.495   2.704
   36    HA   SER   7           HA       SER   7 -13.177   4.096   4.656
   37    HB2  SER   7           HB2      SER   7 -10.869   5.705   5.517
   38    HB3  SER   7           HB1      SER   7 -11.686   4.381   6.343
   39    HG   SER   7           HG       SER   7  -9.405   4.128   5.438
   40    H    SER   8           H        SER   8 -12.640   5.968   2.121
   41    HA   SER   8           HA       SER   8 -13.698   8.410   3.483
   42    HB2  SER   8           HB2      SER   8 -11.331   8.143   1.917
   43    HB3  SER   8           HB1      SER   8 -12.483   9.090   0.980
   44    HG   SER   8           HG       SER   8 -11.100  10.245   2.551
   45    HA   PRO   9           HA       PRO   9 -16.991   7.438   0.592
   46    HB2  PRO   9           HB2      PRO   9 -18.778   9.220   1.685
   47    HB3  PRO   9           HB1      PRO   9 -18.468   7.609   2.356
   48    HG2  PRO   9           HG2      PRO   9 -17.576  10.268   3.369
   49    HG3  PRO   9           HG1      PRO   9 -17.848   8.761   4.260
   50    HD2  PRO   9           HD2      PRO   9 -15.330   9.796   3.482
   51    HD3  PRO   9           HD1      PRO   9 -15.646   8.150   4.073
   52    H    GLU  10           H        GLU  10 -15.040  10.115   0.826
   53    HA   GLU  10           HA       GLU  10 -16.512  11.558  -1.347
   54    HB2  GLU  10           HB2      GLU  10 -15.597  12.564   1.084
   55    HB3  GLU  10           HB1      GLU  10 -14.344  13.045  -0.061
   56    HG2  GLU  10           HG2      GLU  10 -15.901  14.210  -1.435
   57    HG3  GLU  10           HG1      GLU  10 -17.282  13.462  -0.634
   58    H    ASN  11           H        ASN  11 -14.439   9.266  -1.268
   59    HA   ASN  11           HA       ASN  11 -12.153  10.491  -2.661
   60    HB2  ASN  11           HB2      ASN  11 -12.365   8.317  -1.034
   61    HB3  ASN  11           HB1      ASN  11 -12.439   7.546  -2.618
   62   HD21  ASN  11          1HD2      ASN  11 -10.228   6.660  -1.999
   63   HD22  ASN  11          2HD2      ASN  11  -8.867   7.640  -2.249
   64    HA   PRO  12           HA       PRO  12 -14.043   9.799  -6.617
   65    HB2  PRO  12           HB2      PRO  12 -11.845  10.488  -8.116
   66    HB3  PRO  12           HB1      PRO  12 -12.903  11.672  -7.329
   67    HG2  PRO  12           HG2      PRO  12 -10.159  10.804  -6.555
   68    HG3  PRO  12           HG1      PRO  12 -10.988  12.332  -6.221
   69    HD2  PRO  12           HD2      PRO  12 -10.644  10.190  -4.397
   70    HD3  PRO  12           HD1      PRO  12 -11.716  11.588  -4.182
   71    H    CYS  13           H        CYS  13 -11.568   7.985  -5.218
   72    HA   CYS  13           HA       CYS  13 -11.106   6.264  -7.584
   73    HB2  CYS  13           HB2      CYS  13 -10.055   5.987  -4.752
   74    HB3  CYS  13           HB1      CYS  13  -9.471   5.130  -6.179
   75    H    CYS  14           H        CYS  14 -12.897   6.311  -4.575
   76    HA   CYS  14           HA       CYS  14 -14.012   3.639  -5.311
   77    HB2  CYS  14           HB2      CYS  14 -14.118   3.028  -2.980
   78    HB3  CYS  14           HB1      CYS  14 -12.475   3.581  -3.304
   79    H    ASP  15           H        ASP  15 -16.230   3.512  -5.279
   80    HA   ASP  15           HA       ASP  15 -17.812   5.891  -5.257
   81    HB2  ASP  15           HB2      ASP  15 -18.331   3.563  -6.287
   82    HB3  ASP  15           HB1      ASP  15 -18.914   3.145  -4.672
   83    H    ALA  16           H        ALA  16 -18.931   6.885  -3.589
   84    HA   ALA  16           HA       ALA  16 -18.192   6.217  -0.864
   85    HB1  ALA  16           HB1      ALA  16 -19.113   8.240  -0.317
   86    HB2  ALA  16           HB2      ALA  16 -20.531   7.984  -1.333
   87    HB3  ALA  16           HB3      ALA  16 -19.012   8.508  -2.057
   88    H    ALA  17           H        ALA  17 -21.157   5.865  -2.807
   89    HA   ALA  17           HA       ALA  17 -22.842   4.886  -0.738
   90    HB1  ALA  17           HB1      ALA  17 -23.393   3.529  -3.220
   91    HB2  ALA  17           HB2      ALA  17 -22.990   5.215  -3.549
   92    HB3  ALA  17           HB3      ALA  17 -24.308   4.822  -2.444
   93    H    THR  18           H        THR  18 -20.695   3.128  -2.985
   94    HA   THR  18           HA       THR  18 -21.122   0.669  -1.355
   95    HB   THR  18           HB       THR  18 -20.176  -0.546  -3.236
   96    HG1  THR  18           HG1      THR  18 -19.709   0.897  -5.138
   97   HG21  THR  18          3HG2      THR  18 -21.946  -0.264  -4.721
   98   HG22  THR  18          1HG2      THR  18 -21.927   1.493  -4.569
   99   HG23  THR  18          2HG2      THR  18 -22.588   0.502  -3.269
  100    H    CYS  19           H        CYS  19 -19.177   3.232  -1.208
  101    HA   CYS  19           HA       CYS  19 -16.898   3.612  -0.698
  102    HB2  CYS  19           HB2      CYS  19 -16.276   1.933   1.273
  103    HB3  CYS  19           HB1      CYS  19 -17.394   3.264   1.512
  104    H    LYS  20           H        LYS  20 -17.125   1.850  -2.969
  105    HA   LYS  20           HA       LYS  20 -14.614   0.283  -2.533
  106    HB2  LYS  20           HB2      LYS  20 -17.134  -0.613  -3.944
  107    HB3  LYS  20           HB1      LYS  20 -15.564  -1.366  -4.235
  108    HG2  LYS  20           HG2      LYS  20 -16.061  -1.113  -1.394
  109    HG3  LYS  20           HG1      LYS  20 -17.368  -1.997  -2.181
  110    HD2  LYS  20           HD2      LYS  20 -15.921  -3.649  -3.015
  111    HD3  LYS  20           HD1      LYS  20 -14.494  -2.634  -2.811
  112    HE2  LYS  20           HE2      LYS  20 -15.210  -2.724  -0.258
  113    HE3  LYS  20           HE1      LYS  20 -16.004  -4.213  -0.770
  114    HZ1  LYS  20           HZ1      LYS  20 -14.011  -5.139  -0.494
  115    HZ2  LYS  20           HZ2      LYS  20 -13.205  -3.642  -0.462
  116    HZ3  LYS  20           HZ3      LYS  20 -13.577  -4.378  -1.948
  117    H    LEU  21           H        LEU  21 -13.666  -0.303  -4.817
  118    HA   LEU  21           HA       LEU  21 -13.156   2.140  -6.206
  119    HB2  LEU  21           HB2      LEU  21 -12.477  -0.718  -6.563
  120    HB3  LEU  21           HB1      LEU  21 -12.463   0.246  -8.039
  121    HG   LEU  21           HG       LEU  21 -11.129   1.958  -6.527
  122   HD11  LEU  21          1HD1      LEU  21 -10.896   1.090  -4.429
  123   HD12  LEU  21          2HD1      LEU  21  -9.579   0.176  -5.163
  124   HD13  LEU  21          3HD1      LEU  21 -11.169  -0.563  -4.978
  125   HD21  LEU  21          3HD2      LEU  21 -10.197   0.979  -8.529
  126   HD22  LEU  21          1HD2      LEU  21 -10.012  -0.585  -7.735
  127   HD23  LEU  21          2HD2      LEU  21  -9.016   0.781  -7.237
  128    H    ARG  22           H        ARG  22 -14.438   3.192  -7.631
  129    HA   ARG  22           HA       ARG  22 -16.805   1.828  -8.727
  130    HB2  ARG  22           HB2      ARG  22 -16.236   4.454  -7.955
  131    HB3  ARG  22           HB1      ARG  22 -16.373   4.527  -9.712
  132    HG2  ARG  22           HG2      ARG  22 -18.427   2.857  -8.424
  133    HG3  ARG  22           HG1      ARG  22 -18.508   4.563  -7.982
  134    HD2  ARG  22           HD2      ARG  22 -18.098   4.783 -10.656
  135    HD3  ARG  22           HD1      ARG  22 -18.996   3.265 -10.603
  136    HE   ARG  22           HE       ARG  22 -20.069   5.911 -10.001
  137   HH11  ARG  22          1HH1      ARG  22 -20.959   2.880 -10.885
  138   HH12  ARG  22          2HH1      ARG  22 -22.333   2.746  -9.837
  139   HH21  ARG  22          1HH2      ARG  22 -21.556   5.592  -8.016
  140   HH22  ARG  22          2HH2      ARG  22 -22.669   4.280  -8.213
  141    HA   PRO  23           HA       PRO  23 -14.641   2.956 -12.826
  142    HB2  PRO  23           HB2      PRO  23 -12.127   4.061 -12.697
  143    HB3  PRO  23           HB1      PRO  23 -13.620   5.015 -12.707
  144    HG2  PRO  23           HG2      PRO  23 -11.780   4.434 -10.437
  145    HG3  PRO  23           HG1      PRO  23 -12.880   5.802 -10.666
  146    HD2  PRO  23           HD2      PRO  23 -13.339   3.551  -9.010
  147    HD3  PRO  23           HD1      PRO  23 -14.544   4.769  -9.480
  148    H    GLY  24           H        GLY  24 -12.155   2.404 -13.859
  149    HA2  GLY  24           HA2      GLY  24 -11.738  -0.374 -12.954
  150    HA3  GLY  24           HA1      GLY  24 -11.080   0.343 -14.424
  151    H    ALA  25           H        ALA  25 -10.823   1.871 -11.260
  152    HA   ALA  25           HA       ALA  25  -7.941   2.081 -11.526
  153    HB1  ALA  25           HB1      ALA  25 -10.017   3.090  -9.739
  154    HB2  ALA  25           HB2      ALA  25  -8.460   3.804 -10.158
  155    HB3  ALA  25           HB3      ALA  25  -8.564   2.615  -8.860
  156    H    GLN  26           H        GLN  26  -6.447   1.234  -9.773
  157    HA   GLN  26           HA       GLN  26  -7.105  -1.603  -9.283
  158    HB2  GLN  26           HB2      GLN  26  -4.706  -0.095  -9.754
  159    HB3  GLN  26           HB1      GLN  26  -4.556  -0.935  -8.211
  160    HG2  GLN  26           HG2      GLN  26  -3.832  -2.588  -9.678
  161    HG3  GLN  26           HG1      GLN  26  -5.550  -2.969  -9.569
  162   HE21  GLN  26          1HE2      GLN  26  -3.507  -0.680 -11.497
  163   HE22  GLN  26          2HE2      GLN  26  -4.276  -1.017 -12.972
  164    H    CYS  27           H        CYS  27  -6.728   1.398  -7.517
  165    HA   CYS  27           HA       CYS  27  -7.660  -0.016  -5.081
  166    HB2  CYS  27           HB2      CYS  27  -5.965   1.231  -3.711
  167    HB3  CYS  27           HB1      CYS  27  -5.250   0.030  -4.789
  168    H    GLY  28           H        GLY  28  -8.360   1.597  -3.390
  169    HA2  GLY  28           HA2      GLY  28  -9.540   3.986  -4.725
  170    HA3  GLY  28           HA1      GLY  28 -10.206   3.209  -3.294
  171    H    GLU  29           H        GLU  29  -7.946   2.934  -1.743
  172    HA   GLU  29           HA       GLU  29  -6.680   5.595  -1.583
  173    HB2  GLU  29           HB2      GLU  29  -7.373   5.874   0.755
  174    HB3  GLU  29           HB1      GLU  29  -8.772   5.808  -0.303
  175    HG2  GLU  29           HG2      GLU  29  -9.543   3.931   0.677
  176    HG3  GLU  29           HG1      GLU  29  -7.961   3.155   0.587
  177    H    GLY  30           H        GLY  30  -4.904   5.574   0.082
  178    HA2  GLY  30           HA2      GLY  30  -3.973   3.473   1.595
  179    HA3  GLY  30           HA1      GLY  30  -3.477   3.025  -0.035
  180    H    LEU  31           H        LEU  31  -1.274   3.285   1.097
  181    HA   LEU  31           HA       LEU  31  -0.444   6.109   1.421
  182    HB2  LEU  31           HB2      LEU  31   0.355   3.655   2.586
  183    HB3  LEU  31           HB1      LEU  31   1.725   4.221   1.628
  184    HG   LEU  31           HG       LEU  31   1.719   6.355   2.754
  185   HD11  LEU  31          1HD1      LEU  31  -0.079   6.258   4.820
  186   HD12  LEU  31          2HD1      LEU  31  -0.982   5.454   3.536
  187   HD13  LEU  31          3HD1      LEU  31  -0.367   7.090   3.292
  188   HD21  LEU  31          3HD2      LEU  31   1.472   3.955   4.575
  189   HD22  LEU  31          1HD2      LEU  31   1.933   5.545   5.183
  190   HD23  LEU  31          2HD2      LEU  31   2.944   4.730   3.990
  191    H    CYS  32           H        CYS  32   0.371   3.258  -0.553
  192    HA   CYS  32           HA       CYS  32   1.896   5.067  -2.361
  193    HB2  CYS  32           HB2      CYS  32   1.923   2.043  -2.214
  194    HB3  CYS  32           HB1      CYS  32   2.983   3.051  -3.203
  195    H    CYS  33           H        CYS  33  -0.757   5.406  -2.655
  196    HA   CYS  33           HA       CYS  33  -1.287   3.992  -5.232
  197    HB2  CYS  33           HB2      CYS  33  -2.895   3.957  -2.792
  198    HB3  CYS  33           HB1      CYS  33  -3.809   4.533  -4.186
  199    H    GLU  34           H        GLU  34  -1.256   5.543  -6.770
  200    HA   GLU  34           HA       GLU  34  -2.451   8.201  -6.095
  201    HB2  GLU  34           HB2      GLU  34  -0.260   7.672  -8.123
  202    HB3  GLU  34           HB1      GLU  34  -0.853   9.243  -7.584
  203    HG2  GLU  34           HG2      GLU  34  -0.166   8.016  -5.206
  204    HG3  GLU  34           HG1      GLU  34   1.084   7.442  -6.311
  205    H    GLN  35           H        GLN  35  -3.724   9.170  -7.769
  206    HA   GLN  35           HA       GLN  35  -5.227   9.128  -9.568
  207    HB2  GLN  35           HB2      GLN  35  -2.815   8.373 -10.603
  208    HB3  GLN  35           HB1      GLN  35  -3.805   6.967 -10.999
  209    HG2  GLN  35           HG2      GLN  35  -4.037   8.475 -12.841
  210    HG3  GLN  35           HG1      GLN  35  -5.534   8.602 -11.915
  211   HE21  GLN  35          1HE2      GLN  35  -6.083  10.661 -11.109
  212   HE22  GLN  35          2HE2      GLN  35  -5.057  12.012 -11.168
  213    H    CYS  36           H        CYS  36  -5.209   7.019  -7.304
  214    HA   CYS  36           HA       CYS  36  -6.723   5.322  -6.696
  215    HB2  CYS  36           HB2      CYS  36  -7.817   5.439  -9.514
  216    HB3  CYS  36           HB1      CYS  36  -8.645   4.924  -8.040
  217    H    LYS  37           H        LYS  37  -4.135   5.027  -8.402
  218    HA   LYS  37           HA       LYS  37  -4.628   2.165  -9.120
  219    HB2  LYS  37           HB2      LYS  37  -3.034   4.294 -10.531
  220    HB3  LYS  37           HB1      LYS  37  -2.614   2.591 -10.725
  221    HG2  LYS  37           HG2      LYS  37  -4.971   2.125 -11.399
  222    HG3  LYS  37           HG1      LYS  37  -5.308   3.854 -11.308
  223    HD2  LYS  37           HD2      LYS  37  -2.925   3.366 -12.883
  224    HD3  LYS  37           HD1      LYS  37  -4.290   2.451 -13.522
  225    HE2  LYS  37           HE2      LYS  37  -5.465   4.866 -12.975
  226    HE3  LYS  37           HE1      LYS  37  -3.847   5.365 -13.466
  227    HZ1  LYS  37           HZ1      LYS  37  -4.124   4.552 -15.555
  228    HZ2  LYS  37           HZ2      LYS  37  -5.742   4.940 -15.213
  229    HZ3  LYS  37           HZ3      LYS  37  -5.204   3.335 -15.075
  230    H    PHE  38           H        PHE  38  -2.451   0.925  -9.115
  231    HA   PHE  38           HA       PHE  38  -1.248   1.304  -6.484
  232    HB2  PHE  38           HB2      PHE  38  -0.817  -0.676  -8.726
  233    HB3  PHE  38           HB1      PHE  38   0.161  -0.693  -7.257
  234    HD1  PHE  38           HD1      PHE  38  -1.741   0.010  -5.162
  235    HD2  PHE  38           HD2      PHE  38  -2.273  -2.510  -8.598
  236    HE1  PHE  38           HE1      PHE  38  -3.541  -1.221  -3.982
  237    HE2  PHE  38           HE2      PHE  38  -4.074  -3.739  -7.420
  238    HZ   PHE  38           HZ       PHE  38  -4.710  -3.093  -5.111
  239    H    SER  39           H        SER  39   0.534   2.519  -6.083
  240    HA   SER  39           HA       SER  39   1.923   3.954  -8.126
  241    HB2  SER  39           HB2      SER  39   3.000   3.278  -5.373
  242    HB3  SER  39           HB1      SER  39   3.433   4.656  -6.382
  243    HG   SER  39           HG       SER  39   1.765   5.660  -5.617
  244    H    ARG  40           H        ARG  40   4.652   3.168  -6.844
  245    HA   ARG  40           HA       ARG  40   5.028   0.674  -8.455
  246    HB2  ARG  40           HB2      ARG  40   7.159   1.491  -9.202
  247    HB3  ARG  40           HB1      ARG  40   6.008   2.803  -9.460
  248    HG2  ARG  40           HG2      ARG  40   6.686   3.703  -7.188
  249    HG3  ARG  40           HG1      ARG  40   7.991   2.516  -7.191
  250    HD2  ARG  40           HD2      ARG  40   8.640   3.491  -9.482
  251    HD3  ARG  40           HD1      ARG  40   7.574   4.837  -9.077
  252    HE   ARG  40           HE       ARG  40   9.121   5.508  -7.380
  253   HH11  ARG  40          1HH1      ARG  40  10.937   4.283  -9.625
  254   HH12  ARG  40          2HH1      ARG  40  12.085   3.439  -8.640
  255   HH21  ARG  40          1HH2      ARG  40  10.166   3.649  -5.759
  256   HH22  ARG  40          2HH2      ARG  40  11.649   3.081  -6.450
  257    H    ALA  41           H        ALA  41   6.809  -0.709  -7.670
  258    HA   ALA  41           HA       ALA  41   6.817  -0.922  -4.783
  259    HB1  ALA  41           HB1      ALA  41   7.348  -2.664  -6.851
  260    HB2  ALA  41           HB2      ALA  41   7.722  -2.978  -5.156
  261    HB3  ALA  41           HB3      ALA  41   8.966  -2.333  -6.228
  262    H    GLY  42           H        GLY  42   8.973  -1.004  -3.559
  263    HA2  GLY  42           HA2      GLY  42  10.966   0.083  -2.914
  264    HA3  GLY  42           HA1      GLY  42  11.189   0.543  -4.603
  265    H    LYS  43           H        LYS  43   8.133   1.254  -3.178
  266    HA   LYS  43           HA       LYS  43   8.731   4.149  -3.404
  267    HB2  LYS  43           HB2      LYS  43   6.671   3.783  -4.396
  268    HB3  LYS  43           HB1      LYS  43   6.261   2.465  -3.307
  269    HG2  LYS  43           HG2      LYS  43   4.813   4.286  -2.731
  270    HG3  LYS  43           HG1      LYS  43   6.027   4.226  -1.467
  271    HD2  LYS  43           HD2      LYS  43   7.030   6.183  -2.145
  272    HD3  LYS  43           HD1      LYS  43   6.627   5.920  -3.843
  273    HE2  LYS  43           HE2      LYS  43   4.401   6.402  -1.893
  274    HE3  LYS  43           HE1      LYS  43   5.361   7.776  -2.442
  275    HZ1  LYS  43           HZ1      LYS  43   4.939   6.835  -4.763
  276    HZ2  LYS  43           HZ2      LYS  43   3.653   7.629  -3.986
  277    HZ3  LYS  43           HZ3      LYS  43   3.700   5.931  -4.040
  278    H    ILE  44           H        ILE  44   9.300   5.310  -1.643
  279    HA   ILE  44           HA       ILE  44   9.377   4.178   0.985
  280    HB   ILE  44           HB       ILE  44  10.055   6.738  -0.284
  281   HG12  ILE  44          2HG1      ILE  44  11.693   5.072   0.472
  282   HG13  ILE  44          1HG1      ILE  44  11.903   6.581   1.363
  283   HG21  ILE  44          1HG2      ILE  44   8.819   6.694   2.463
  284   HG22  ILE  44          2HG2      ILE  44   8.605   7.877   1.173
  285   HG23  ILE  44          3HG2      ILE  44  10.112   7.836   2.090
  286   HD11  ILE  44          3HD1      ILE  44  11.507   4.041   2.474
  287   HD12  ILE  44          1HD1      ILE  44   9.955   4.856   2.659
  288   HD13  ILE  44          2HD1      ILE  44  11.416   5.583   3.324
  289    H    CYS  45           H        CYS  45   7.458   3.541   1.868
  290    HA   CYS  45           HA       CYS  45   5.042   5.201   1.594
  291    HB2  CYS  45           HB2      CYS  45   4.027   3.388   3.018
  292    HB3  CYS  45           HB1      CYS  45   4.710   2.828   1.496
  293    H    ARG  46           H        ARG  46   7.648   4.793   3.769
  294    HA   ARG  46           HA       ARG  46   6.572   6.862   5.536
  295    HB2  ARG  46           HB2      ARG  46   6.236   4.068   6.202
  296    HB3  ARG  46           HB1      ARG  46   7.294   4.848   7.378
  297    HG2  ARG  46           HG2      ARG  46   5.542   6.727   7.460
  298    HG3  ARG  46           HG1      ARG  46   4.471   5.605   6.619
  299    HD2  ARG  46           HD2      ARG  46   4.863   3.933   8.430
  300    HD3  ARG  46           HD1      ARG  46   5.826   5.136   9.290
  301    HE   ARG  46           HE       ARG  46   2.888   5.328   8.812
  302   HH11  ARG  46          1HH1      ARG  46   4.548   5.032  11.466
  303   HH12  ARG  46          2HH1      ARG  46   4.330   6.622  12.117
  304   HH21  ARG  46          1HH2      ARG  46   3.136   7.960   9.149
  305   HH22  ARG  46          2HH2      ARG  46   3.530   8.280  10.806
  306    H    ILE  47           H        ILE  47   8.224   7.236   7.393
  307    HA   ILE  47           HA       ILE  47  10.944   6.959   6.212
  308    HB   ILE  47           HB       ILE  47   9.997   9.239   6.851
  309   HG12  ILE  47          2HG1      ILE  47  12.174   9.771   8.242
  310   HG13  ILE  47          1HG1      ILE  47  12.585   8.097   7.865
  311   HG21  ILE  47          1HG2      ILE  47   9.811   9.823   9.151
  312   HG22  ILE  47          2HG2      ILE  47  10.616   8.342   9.671
  313   HG23  ILE  47          3HG2      ILE  47   8.984   8.271   9.006
  314   HD11  ILE  47          3HD1      ILE  47  11.666   9.120   5.441
  315   HD12  ILE  47          1HD1      ILE  47  13.353   8.862   5.884
  316   HD13  ILE  47          2HD1      ILE  47  12.609  10.442   6.127
  317    H    ALA  48           H        ALA  48  12.658   6.090   7.473
  318    HA   ALA  48           HA       ALA  48  11.987   3.978   9.261
  319    HB1  ALA  48           HB1      ALA  48  14.600   4.648   9.913
  320    HB2  ALA  48           HB2      ALA  48  14.437   5.239   8.260
  321    HB3  ALA  48           HB3      ALA  48  14.117   3.543   8.626
  322    H    ARG  49           H        ARG  49  11.796   3.912  11.486
  323    HA   ARG  49           HA       ARG  49  12.073   6.529  12.907
  324    HB2  ARG  49           HB2      ARG  49  10.152   4.228  13.333
  325    HB3  ARG  49           HB1      ARG  49  10.374   5.520  14.515
  326    HG2  ARG  49           HG2      ARG  49  10.018   6.637  11.871
  327    HG3  ARG  49           HG1      ARG  49   8.679   5.556  12.261
  328    HD2  ARG  49           HD2      ARG  49   9.443   7.250  14.521
  329    HD3  ARG  49           HD1      ARG  49   8.932   8.186  13.116
  330    HE   ARG  49           HE       ARG  49   6.986   6.231  13.339
  331   HH11  ARG  49          1HH2      ARG  49   7.530   9.297  14.445
  332   HH12  ARG  49          2HH2      ARG  49   6.492   9.200  15.827
  333   HH21  ARG  49          1HH1      ARG  49   6.012   5.776  15.560
  334   HH22  ARG  49          2HH1      ARG  49   5.633   7.208  16.459
  335    H    GLY  50           H        GLY  50  14.366   5.895  13.274
  336    HA2  GLY  50           HA2      GLY  50  15.180   5.218  15.708
  337    HA3  GLY  50           HA1      GLY  50  14.741   3.615  15.136
  338    H    ASP  51           H        ASP  51  15.628   3.594  12.576
  339    HA   ASP  51           HA       ASP  51  18.063   4.738  11.888
  340    HB2  ASP  51           HB2      ASP  51  18.345   2.965  14.144
  341    HB3  ASP  51           HB1      ASP  51  19.266   2.349  12.771
  342    H    TRP  52           H        TRP  52  16.691   1.481  12.192
  343    HA   TRP  52           HA       TRP  52  17.768   0.207   9.996
  344    HB2  TRP  52           HB2      TRP  52  15.469  -0.887   9.710
  345    HB3  TRP  52           HB1      TRP  52  16.202  -1.014  11.308
  346    HD1  TRP  52           HD       TRP  52  13.552   1.020   9.405
  347    HE1  TRP  52           HE1      TRP  52  11.866   1.959  11.115
  348    HE3  TRP  52           HE3      TRP  52  15.803  -0.436  13.743
  349    HZ2  TRP  52           HZ2      TRP  52  11.520   2.074  13.953
  350    HZ3  TRP  52           HZ3      TRP  52  14.778   0.098  15.935
  351    HH2  TRP  52           HH       TRP  52  12.642   1.351  16.046
  352    H    ASN  53           H        ASN  53  16.828  -0.131   7.776
  353    HA   ASN  53           HA       ASN  53  16.619   2.342   6.371
  354    HB2  ASN  53           HB2      ASN  53  16.279  -0.539   5.695
  355    HB3  ASN  53           HB1      ASN  53  15.561   0.628   4.586
  356   HD21  ASN  53          1HD2      ASN  53  16.968   1.490   3.047
  357   HD22  ASN  53          2HD2      ASN  53  18.662   1.475   3.163
  358    H    ASP  54           H        ASP  54  14.776   3.290   5.329
  359    HA   ASP  54           HA       ASP  54  12.400   3.374   6.905
  360    HB2  ASP  54           HB2      ASP  54  12.620   4.128   3.980
  361    HB3  ASP  54           HB1      ASP  54  11.498   4.782   5.174
  362    H    ASP  55           H        ASP  55  10.390   3.227   4.818
  363    HA   ASP  55           HA       ASP  55  10.307   0.261   4.428
  364    HB2  ASP  55           HB2      ASP  55   8.033   2.207   4.932
  365    HB3  ASP  55           HB1      ASP  55   7.825   0.494   4.566
  366    H    ARG  56           H        ARG  56   9.384  -0.479   2.433
  367    HA   ARG  56           HA       ARG  56   8.997   1.626   0.345
  368    HB2  ARG  56           HB2      ARG  56  10.592  -0.938   0.069
  369    HB3  ARG  56           HB1      ARG  56  10.215   0.170  -1.249
  370    HG2  ARG  56           HG2      ARG  56  11.488   1.324   1.189
  371    HG3  ARG  56           HG1      ARG  56  12.505   0.353   0.125
  372    HD2  ARG  56           HD2      ARG  56  11.764   1.757  -1.801
  373    HD3  ARG  56           HD1      ARG  56  10.860   2.771  -0.676
  374    HE   ARG  56           HE       ARG  56  13.148   3.190   0.428
  375   HH11  ARG  56          1HH1      ARG  56  12.814   4.859  -1.992
  376   HH12  ARG  56          2HH1      ARG  56  14.238   4.494  -2.909
  377   HH21  ARG  56          1HH2      ARG  56  14.966   1.607  -1.132
  378   HH22  ARG  56          2HH2      ARG  56  15.456   2.654  -2.422
  379    H    CYS  57           H        CYS  57   7.215   1.268  -0.931
  380    HA   CYS  57           HA       CYS  57   5.450  -0.938  -0.239
  381    HB2  CYS  57           HB2      CYS  57   5.322   1.336  -2.197
  382    HB3  CYS  57           HB1      CYS  57   4.154   0.019  -2.290
  383    H    THR  58           H        THR  58   4.650  -2.510  -1.807
  384    HA   THR  58           HA       THR  58   6.827  -3.653  -3.369
  385    HB   THR  58           HB       THR  58   5.530  -5.285  -2.284
  386    HG1  THR  58           HG1      THR  58   4.216  -6.158  -4.144
  387   HG21  THR  58          3HG2      THR  58   3.321  -3.437  -2.946
  388   HG22  THR  58          1HG2      THR  58   3.554  -4.452  -1.523
  389   HG23  THR  58          2HG2      THR  58   2.909  -5.151  -3.009
  390    H    GLY  59           H        GLY  59   4.456  -1.356  -4.018
  391    HA2  GLY  59           HA2      GLY  59   4.146  -0.238  -6.102
  392    HA3  GLY  59           HA1      GLY  59   5.023  -1.542  -6.900
  393    H    GLN  60           H        GLN  60   3.127  -3.380  -5.209
  394    HA   GLN  60           HA       GLN  60   0.847  -3.200  -7.133
  395    HB2  GLN  60           HB2      GLN  60   1.706  -5.719  -5.704
  396    HB3  GLN  60           HB1      GLN  60   0.713  -5.567  -7.153
  397    HG2  GLN  60           HG2      GLN  60   2.672  -4.686  -8.390
  398    HG3  GLN  60           HG1      GLN  60   3.663  -4.895  -6.946
  399   HE21  GLN  60          1HE2      GLN  60   3.410  -7.298  -5.996
  400   HE22  GLN  60          2HE2      GLN  60   3.497  -8.534  -7.155
  401    H    SER  61           H        SER  61   1.770  -2.942  -3.879
  402    HA   SER  61           HA       SER  61  -1.050  -3.490  -3.019
  403    HB2  SER  61           HB2      SER  61   0.618  -4.966  -1.941
  404    HB3  SER  61           HB1      SER  61   1.483  -3.550  -1.351
  405    HG   SER  61           HG       SER  61  -0.783  -3.028  -0.493
  406    H    ALA  62           H        ALA  62  -2.178  -1.669  -2.571
  407    HA   ALA  62           HA       ALA  62  -0.996   0.947  -2.437
  408    HB1  ALA  62           HB1      ALA  62  -3.447   0.326  -2.951
  409    HB2  ALA  62           HB2      ALA  62  -3.186   1.732  -1.920
  410    HB3  ALA  62           HB3      ALA  62  -3.656   0.190  -1.206
  411    H    ASP  63           H        ASP  63  -2.022  -1.382   0.038
  412    HA   ASP  63           HA       ASP  63  -1.290   0.409   2.230
  413    HB2  ASP  63           HB2      ASP  63  -2.538  -2.225   1.931
  414    HB3  ASP  63           HB1      ASP  63  -1.379  -2.177   3.261
  415    H    CYS  64           H        CYS  64   0.848   0.864   2.414
  416    HA   CYS  64           HA       CYS  64   2.988  -0.549   1.340
  417    HB2  CYS  64           HB2      CYS  64   3.351   1.639   2.207
  418    HB3  CYS  64           HB1      CYS  64   2.847   1.166   3.824
  419    HA   PRO  65           HA       PRO  65   3.156  -4.229   3.684
  420    HB2  PRO  65           HB2      PRO  65   5.523  -5.083   2.615
  421    HB3  PRO  65           HB1      PRO  65   3.988  -5.194   1.755
  422    HG2  PRO  65           HG2      PRO  65   6.275  -3.349   1.315
  423    HG3  PRO  65           HG1      PRO  65   5.023  -3.879   0.179
  424    HD2  PRO  65           HD2      PRO  65   5.118  -1.389   1.523
  425    HD3  PRO  65           HD1      PRO  65   3.743  -2.047   0.611
  426    H    ARG  66           H        ARG  66   5.462  -5.422   4.602
  427    HA   ARG  66           HA       ARG  66   6.480  -3.407   6.549
  428    HB2  ARG  66           HB2      ARG  66   7.129  -5.372   7.913
  429    HB3  ARG  66           HB1      ARG  66   5.407  -5.398   7.529
  430    HG2  ARG  66           HG2      ARG  66   5.689  -7.442   6.634
  431    HG3  ARG  66           HG1      ARG  66   6.699  -6.708   5.387
  432    HD2  ARG  66           HD2      ARG  66   8.553  -7.641   6.258
  433    HD3  ARG  66           HD1      ARG  66   8.192  -6.969   7.849
  434    HE   ARG  66           HE       ARG  66   7.492  -9.126   8.460
  435   HH11  ARG  66          1HH2      ARG  66   8.031  -9.092   5.124
  436   HH12  ARG  66          2HH2      ARG  66   7.027 -10.461   4.780
  437   HH21  ARG  66          1HH1      ARG  66   5.786 -10.695   8.010
  438   HH22  ARG  66          2HH1      ARG  66   5.755 -11.370   6.415
  439    H    ASN  67           H        ASN  67   8.434  -2.576   5.976
  440    HA   ASN  67           HA       ASN  67  10.387  -4.425   4.663
  441    HB2  ASN  67           HB2      ASN  67   9.512  -1.691   3.986
  442    HB3  ASN  67           HB1      ASN  67  11.263  -1.915   3.993
  443   HD21  ASN  67          1HD2      ASN  67   8.442  -3.924   2.939
  444   HD22  ASN  67          2HD2      ASN  67   9.104  -4.313   1.426
  445    H    GLY  68           H        GLY  68   9.730  -3.006   7.523
  446    HA2  GLY  68           HA2      GLY  68  12.610  -2.437   8.099
  447    HA3  GLY  68           HA1      GLY  68  11.272  -1.691   8.975
  448    H    LEU  69           H        LEU  69  11.009  -2.574  10.960
  449    HA   LEU  69           HA       LEU  69  11.539  -5.504  11.268
  450    HB2  LEU  69           HB2      LEU  69  11.927  -3.327  13.348
  451    HB3  LEU  69           HB1      LEU  69  12.291  -5.043  13.551
  452    HG   LEU  69           HG       LEU  69  13.798  -4.727  11.445
  453   HD11  LEU  69          1HD1      LEU  69  14.549  -2.070  12.125
  454   HD12  LEU  69          2HD1      LEU  69  12.803  -2.065  11.865
  455   HD13  LEU  69          3HD1      LEU  69  13.882  -2.646  10.597
  456   HD21  LEU  69          3HD2      LEU  69  15.559  -3.577  13.084
  457   HD22  LEU  69          1HD2      LEU  69  14.997  -5.226  13.364
  458   HD23  LEU  69          2HD2      LEU  69  14.296  -3.888  14.275
  459    H    TYR  70           H        TYR  70   9.019  -3.950  10.674
  460    HA   TYR  70           HA       TYR  70   7.443  -4.993  12.986
  461    HB2  TYR  70           HB2      TYR  70   6.730  -2.476  11.466
  462    HB3  TYR  70           HB1      TYR  70   6.026  -3.068  12.972
  463    HD1  TYR  70           HD2      TYR  70   7.505  -3.211  15.040
  464    HD2  TYR  70           HD1      TYR  70   8.666  -1.108  11.480
  465    HE1  TYR  70           HE2      TYR  70   9.221  -1.971  16.332
  466    HE2  TYR  70           HE1      TYR  70  10.381   0.132  12.771
  467    HH   TYR  70           HH       TYR  70  10.600   0.770  15.394
  468    H    GLY  71           H        GLY  71   6.548  -6.782  12.013
  469    HA2  GLY  71           HA2      GLY  71   4.491  -6.397  10.024
  470    HA3  GLY  71           HA1      GLY  71   5.914  -7.157   9.313
  Start of MODEL    8
    1    H    GLY   1           HT1      GLY   1 -14.704 -10.970  -3.621
    2    HA2  GLY   1           HA1      GLY   1 -15.585  -9.360  -5.306
    3    HA3  GLY   1           HA2      GLY   1 -17.187  -9.967  -4.887
    4    H    LYS   2           H        LYS   2 -14.788  -7.728  -4.051
    5    HA   LYS   2           HA       LYS   2 -15.401  -7.515  -1.212
    6    HB2  LYS   2           HB2      LYS   2 -14.240  -5.284  -2.871
    7    HB3  LYS   2           HB1      LYS   2 -13.904  -5.700  -1.190
    8    HG2  LYS   2           HG2      LYS   2 -12.136  -6.902  -1.889
    9    HG3  LYS   2           HG1      LYS   2 -13.254  -7.993  -2.710
   10    HD2  LYS   2           HD2      LYS   2 -13.258  -6.269  -4.623
   11    HD3  LYS   2           HD1      LYS   2 -11.840  -5.575  -3.837
   12    HE2  LYS   2           HE2      LYS   2 -11.690  -8.492  -4.099
   13    HE3  LYS   2           HE1      LYS   2 -11.799  -7.664  -5.652
   14    HZ1  LYS   2           HZ1      LYS   2  -9.611  -7.377  -5.384
   15    HZ2  LYS   2           HZ2      LYS   2  -9.663  -7.671  -3.710
   16    HZ3  LYS   2           HZ3      LYS   2 -10.045  -6.131  -4.317
   17    H    GLU   3           H        GLU   3 -16.299  -5.335  -0.365
   18    HA   GLU   3           HA       GLU   3 -18.476  -4.382  -2.174
   19    HB2  GLU   3           HB2      GLU   3 -19.143  -6.009  -0.248
   20    HB3  GLU   3           HB1      GLU   3 -18.874  -4.615   0.800
   21    HG2  GLU   3           HG2      GLU   3 -20.379  -3.621  -1.351
   22    HG3  GLU   3           HG1      GLU   3 -21.117  -5.173  -0.955
   23    H    CYS   4           H        CYS   4 -15.959  -3.559   0.036
   24    HA   CYS   4           HA       CYS   4 -16.457  -0.741  -0.561
   25    HB2  CYS   4           HB2      CYS   4 -17.875  -0.971   1.394
   26    HB3  CYS   4           HB1      CYS   4 -16.569  -1.747   2.291
   27    H    ASP   5           H        ASP   5 -14.422  -0.563  -1.452
   28    HA   ASP   5           HA       ASP   5 -12.069  -1.383   0.164
   29    HB2  ASP   5           HB2      ASP   5 -12.625  -0.999  -2.690
   30    HB3  ASP   5           HB1      ASP   5 -11.123  -0.226  -2.180
   31    H    CYS   6           H        CYS   6 -14.032   1.172   0.184
   32    HA   CYS   6           HA       CYS   6 -11.878   3.006   1.033
   33    HB2  CYS   6           HB2      CYS   6 -13.680   3.433  -1.324
   34    HB3  CYS   6           HB1      CYS   6 -13.215   4.826  -0.349
   35    H    SER   7           H        SER   7 -12.584   4.319   2.714
   36    HA   SER   7           HA       SER   7 -15.474   4.060   3.436
   37    HB2  SER   7           HB2      SER   7 -13.974   4.990   5.659
   38    HB3  SER   7           HB1      SER   7 -14.739   3.416   5.460
   39    HG   SER   7           HG       SER   7 -12.685   2.840   5.599
   40    H    SER   8           H        SER   8 -14.235   6.088   1.633
   41    HA   SER   8           HA       SER   8 -14.964   8.507   3.229
   42    HB2  SER   8           HB2      SER   8 -13.072   8.710   0.917
   43    HB3  SER   8           HB1      SER   8 -13.199   9.731   2.346
   44    HG   SER   8           HG       SER   8 -12.592   7.554   3.408
   45    HA   PRO   9           HA       PRO   9 -17.928   8.803  -0.096
   46    HB2  PRO   9           HB2      PRO   9 -19.202  11.026   0.898
   47    HB3  PRO   9           HB1      PRO   9 -19.484   9.385   1.505
   48    HG2  PRO   9           HG2      PRO   9 -17.945  11.611   2.760
   49    HG3  PRO   9           HG1      PRO   9 -18.779  10.250   3.528
   50    HD2  PRO   9           HD2      PRO   9 -15.990  10.452   3.097
   51    HD3  PRO   9           HD1      PRO   9 -16.872   8.977   3.547
   52    H    GLU  10           H        GLU  10 -15.439  10.986   0.728
   53    HA   GLU  10           HA       GLU  10 -16.083  12.768  -1.581
   54    HB2  GLU  10           HB2      GLU  10 -15.210  13.359   1.008
   55    HB3  GLU  10           HB1      GLU  10 -13.763  13.533   0.013
   56    HG2  GLU  10           HG2      GLU  10 -16.318  14.709  -1.004
   57    HG3  GLU  10           HG1      GLU  10 -15.476  15.549   0.299
   58    H    ASN  11           H        ASN  11 -14.915  10.009  -1.713
   59    HA   ASN  11           HA       ASN  11 -12.218  10.667  -2.797
   60    HB2  ASN  11           HB2      ASN  11 -12.754   8.767  -1.023
   61    HB3  ASN  11           HB1      ASN  11 -13.182   7.853  -2.470
   62   HD21  ASN  11          1HD2      ASN  11 -10.878   7.223  -0.811
   63   HD22  ASN  11          2HD2      ASN  11  -9.488   7.477  -1.751
   64    HA   PRO  12           HA       PRO  12 -14.249  10.110  -6.750
   65    HB2  PRO  12           HB2      PRO  12 -12.076  10.893  -8.241
   66    HB3  PRO  12           HB1      PRO  12 -13.182  12.033  -7.454
   67    HG2  PRO  12           HG2      PRO  12 -10.411  11.258  -6.664
   68    HG3  PRO  12           HG1      PRO  12 -11.289  12.763  -6.346
   69    HD2  PRO  12           HD2      PRO  12 -10.888  10.661  -4.498
   70    HD3  PRO  12           HD1      PRO  12 -12.036  12.004  -4.316
   71    H    CYS  13           H        CYS  13 -11.628   8.444  -5.384
   72    HA   CYS  13           HA       CYS  13 -10.970   6.775  -7.655
   73    HB2  CYS  13           HB2      CYS  13  -9.180   7.036  -6.138
   74    HB3  CYS  13           HB1      CYS  13 -10.223   6.878  -4.734
   75    H    CYS  14           H        CYS  14 -12.664   6.398  -4.568
   76    HA   CYS  14           HA       CYS  14 -13.854   3.888  -5.634
   77    HB2  CYS  14           HB2      CYS  14 -13.819   4.798  -2.764
   78    HB3  CYS  14           HB1      CYS  14 -14.058   3.173  -3.393
   79    H    ASP  15           H        ASP  15 -16.005   3.722  -5.875
   80    HA   ASP  15           HA       ASP  15 -17.686   6.057  -5.781
   81    HB2  ASP  15           HB2      ASP  15 -17.853   3.729  -7.103
   82    HB3  ASP  15           HB1      ASP  15 -18.863   3.313  -5.721
   83    H    ALA  16           H        ALA  16 -18.904   6.803  -4.075
   84    HA   ALA  16           HA       ALA  16 -18.520   5.716  -1.436
   85    HB1  ALA  16           HB1      ALA  16 -19.065   8.128  -1.985
   86    HB2  ALA  16           HB2      ALA  16 -20.044   7.430  -0.695
   87    HB3  ALA  16           HB3      ALA  16 -20.717   7.607  -2.316
   88    H    ALA  17           H        ALA  17 -21.412   5.806  -3.552
   89    HA   ALA  17           HA       ALA  17 -23.166   4.342  -1.933
   90    HB1  ALA  17           HB1      ALA  17 -24.091   3.458  -4.171
   91    HB2  ALA  17           HB2      ALA  17 -22.815   4.406  -4.934
   92    HB3  ALA  17           HB3      ALA  17 -24.048   5.209  -3.963
   93    H    THR  18           H        THR  18 -20.907   3.023  -4.376
   94    HA   THR  18           HA       THR  18 -21.374   0.285  -3.485
   95    HB   THR  18           HB       THR  18 -19.945  -0.350  -5.222
   96    HG1  THR  18           HG1      THR  18 -18.139   0.707  -5.705
   97   HG21  THR  18          3HG2      THR  18 -21.755   1.698  -5.740
   98   HG22  THR  18          1HG2      THR  18 -20.991   0.663  -6.946
   99   HG23  THR  18          2HG2      THR  18 -20.279   2.227  -6.549
  100    H    CYS  19           H        CYS  19 -19.153   2.866  -2.724
  101    HA   CYS  19           HA       CYS  19 -17.628   3.031  -0.935
  102    HB2  CYS  19           HB2      CYS  19 -19.406   1.247   0.020
  103    HB3  CYS  19           HB1      CYS  19 -18.009   0.185  -0.130
  104    H    LYS  20           H        LYS  20 -17.268   1.444  -3.675
  105    HA   LYS  20           HA       LYS  20 -14.539   0.469  -2.927
  106    HB2  LYS  20           HB2      LYS  20 -15.954  -0.862  -5.185
  107    HB3  LYS  20           HB1      LYS  20 -14.762  -1.516  -4.066
  108    HG2  LYS  20           HG2      LYS  20 -16.371  -1.810  -2.344
  109    HG3  LYS  20           HG1      LYS  20 -17.541  -0.761  -3.144
  110    HD2  LYS  20           HD2      LYS  20 -16.637  -3.508  -4.043
  111    HD3  LYS  20           HD1      LYS  20 -18.248  -3.041  -3.498
  112    HE2  LYS  20           HE2      LYS  20 -18.128  -1.314  -5.463
  113    HE3  LYS  20           HE1      LYS  20 -16.863  -2.374  -6.082
  114    HZ1  LYS  20           HZ1      LYS  20 -18.747  -4.143  -5.421
  115    HZ2  LYS  20           HZ2      LYS  20 -18.593  -3.463  -6.971
  116    HZ3  LYS  20           HZ3      LYS  20 -19.717  -2.824  -5.869
  117    H    LEU  21           H        LEU  21 -13.415  -0.086  -5.235
  118    HA   LEU  21           HA       LEU  21 -12.948   2.492  -6.446
  119    HB2  LEU  21           HB2      LEU  21 -12.034  -0.319  -7.059
  120    HB3  LEU  21           HB1      LEU  21 -11.577   1.049  -8.077
  121    HG   LEU  21           HG       LEU  21 -11.077   1.999  -5.532
  122   HD11  LEU  21          1HD1      LEU  21 -11.470  -0.363  -4.711
  123   HD12  LEU  21          2HD1      LEU  21  -9.877   0.290  -4.330
  124   HD13  LEU  21          3HD1      LEU  21 -10.066  -0.854  -5.659
  125   HD21  LEU  21          3HD2      LEU  21  -9.742   1.798  -7.840
  126   HD22  LEU  21          1HD2      LEU  21  -8.905   0.527  -6.951
  127   HD23  LEU  21          2HD2      LEU  21  -8.919   2.176  -6.326
  128    H    ARG  22           H        ARG  22 -14.225   3.405  -7.984
  129    HA   ARG  22           HA       ARG  22 -16.121   1.711  -9.478
  130    HB2  ARG  22           HB2      ARG  22 -16.222   4.310  -8.459
  131    HB3  ARG  22           HB1      ARG  22 -16.137   4.521 -10.210
  132    HG2  ARG  22           HG2      ARG  22 -18.107   2.750  -8.731
  133    HG3  ARG  22           HG1      ARG  22 -18.480   4.297  -9.493
  134    HD2  ARG  22           HD2      ARG  22 -18.243   3.446 -11.651
  135    HD3  ARG  22           HD1      ARG  22 -17.194   2.130 -11.125
  136    HE   ARG  22           HE       ARG  22 -19.727   1.718  -9.926
  137   HH11  ARG  22          1HH2      ARG  22 -17.883   0.264 -12.137
  138   HH12  ARG  22          2HH2      ARG  22 -19.135  -0.155 -13.259
  139   HH21  ARG  22          1HH1      ARG  22 -21.521   1.864 -11.756
  140   HH22  ARG  22          2HH1      ARG  22 -21.195   0.750 -13.043
  141    HA   PRO  23           HA       PRO  23 -13.660   3.631 -13.095
  142    HB2  PRO  23           HB2      PRO  23 -11.322   4.944 -12.493
  143    HB3  PRO  23           HB1      PRO  23 -12.901   5.739 -12.598
  144    HG2  PRO  23           HG2      PRO  23 -11.302   5.064 -10.181
  145    HG3  PRO  23           HG1      PRO  23 -12.533   6.319 -10.396
  146    HD2  PRO  23           HD2      PRO  23 -12.885   3.813  -9.107
  147    HD3  PRO  23           HD1      PRO  23 -14.170   4.958  -9.549
  148    H    GLY  24           H        GLY  24 -11.275   3.276 -14.085
  149    HA2  GLY  24           HA2      GLY  24 -10.539   0.536 -13.333
  150    HA3  GLY  24           HA1      GLY  24  -9.907   1.439 -14.709
  151    H    ALA  25           H        ALA  25  -9.800   1.466 -11.139
  152    HA   ALA  25           HA       ALA  25  -6.970   2.424 -11.321
  153    HB1  ALA  25           HB1      ALA  25  -9.017   3.608 -10.000
  154    HB2  ALA  25           HB2      ALA  25  -7.318   3.731  -9.544
  155    HB3  ALA  25           HB3      ALA  25  -8.355   2.557  -8.747
  156    H    GLN  26           H        GLN  26  -6.721   1.747  -8.394
  157    HA   GLN  26           HA       GLN  26  -6.893  -1.213  -8.435
  158    HB2  GLN  26           HB2      GLN  26  -4.514   0.066  -9.031
  159    HB3  GLN  26           HB1      GLN  26  -4.368  -0.250  -7.300
  160    HG2  GLN  26           HG2      GLN  26  -4.383  -2.529  -7.572
  161    HG3  GLN  26           HG1      GLN  26  -5.441  -2.457  -8.976
  162   HE21  GLN  26          1HE2      GLN  26  -2.938  -3.983  -8.864
  163   HE22  GLN  26          2HE2      GLN  26  -1.899  -3.316 -10.030
  164    H    CYS  27           H        CYS  27  -6.004   1.681  -6.532
  165    HA   CYS  27           HA       CYS  27  -7.599   0.606  -4.284
  166    HB2  CYS  27           HB2      CYS  27  -5.504  -0.271  -3.607
  167    HB3  CYS  27           HB1      CYS  27  -4.623   1.145  -4.170
  168    H    GLY  28           H        GLY  28  -8.256   2.296  -2.810
  169    HA2  GLY  28           HA2      GLY  28  -7.890   5.016  -3.972
  170    HA3  GLY  28           HA1      GLY  28  -9.334   4.506  -3.119
  171    H    GLU  29           H        GLU  29  -7.364   3.136  -1.156
  172    HA   GLU  29           HA       GLU  29  -6.270   5.567   0.110
  173    HB2  GLU  29           HB2      GLU  29  -7.437   5.051   2.221
  174    HB3  GLU  29           HB1      GLU  29  -8.562   5.429   0.923
  175    HG2  GLU  29           HG2      GLU  29  -9.584   3.479   1.420
  176    HG3  GLU  29           HG1      GLU  29  -8.194   2.690   0.673
  177    H    GLY  30           H        GLY  30  -4.268   5.079   0.732
  178    HA2  GLY  30           HA2      GLY  30  -3.388   3.137   2.477
  179    HA3  GLY  30           HA1      GLY  30  -3.343   2.321   0.911
  180    H    LEU  31           H        LEU  31  -0.966   2.913   2.412
  181    HA   LEU  31           HA       LEU  31   0.269   5.352   1.558
  182    HB2  LEU  31           HB2      LEU  31   1.102   2.889   2.903
  183    HB3  LEU  31           HB1      LEU  31   2.354   3.544   1.849
  184    HG   LEU  31           HG       LEU  31   2.300   5.668   2.959
  185   HD11  LEU  31          1HD1      LEU  31  -0.374   4.805   3.645
  186   HD12  LEU  31          2HD1      LEU  31   0.320   6.426   3.718
  187   HD13  LEU  31          3HD1      LEU  31   0.484   5.334   5.093
  188   HD21  LEU  31          3HD2      LEU  31   1.972   3.810   5.295
  189   HD22  LEU  31          1HD2      LEU  31   3.195   5.051   5.021
  190   HD23  LEU  31          2HD2      LEU  31   3.280   3.521   4.148
  191    H    CYS  32           H        CYS  32  -0.648   2.621  -0.205
  192    HA   CYS  32           HA       CYS  32   1.247   3.386  -2.378
  193    HB2  CYS  32           HB2      CYS  32   0.976   0.874  -1.123
  194    HB3  CYS  32           HB1      CYS  32   0.205   0.709  -2.701
  195    H    CYS  33           H        CYS  33  -1.355   4.547  -1.938
  196    HA   CYS  33           HA       CYS  33  -2.788   3.471  -4.337
  197    HB2  CYS  33           HB2      CYS  33  -4.112   4.847  -1.985
  198    HB3  CYS  33           HB1      CYS  33  -4.897   3.983  -3.306
  199    H    GLU  34           H        GLU  34  -1.921   4.968  -5.799
  200    HA   GLU  34           HA       GLU  34  -2.460   7.847  -5.192
  201    HB2  GLU  34           HB2      GLU  34  -0.527   6.853  -7.285
  202    HB3  GLU  34           HB1      GLU  34  -0.589   8.438  -6.516
  203    HG2  GLU  34           HG2      GLU  34   0.005   5.878  -5.011
  204    HG3  GLU  34           HG1      GLU  34   1.257   6.937  -5.661
  205    H    GLN  35           H        GLN  35  -3.957   8.826  -6.472
  206    HA   GLN  35           HA       GLN  35  -5.467   9.161  -8.235
  207    HB2  GLN  35           HB2      GLN  35  -3.193   8.949  -9.494
  208    HB3  GLN  35           HB1      GLN  35  -3.772   7.343  -9.938
  209    HG2  GLN  35           HG2      GLN  35  -4.413   8.909 -11.685
  210    HG3  GLN  35           HG1      GLN  35  -5.865   8.401 -10.820
  211   HE21  GLN  35          1HE2      GLN  35  -7.182  10.081 -10.094
  212   HE22  GLN  35          2HE2      GLN  35  -6.676  11.685  -9.869
  213    H    CYS  36           H        CYS  36  -5.663   6.828  -6.398
  214    HA   CYS  36           HA       CYS  36  -7.295   5.150  -6.156
  215    HB2  CYS  36           HB2      CYS  36  -8.460   6.474  -8.078
  216    HB3  CYS  36           HB1      CYS  36  -7.843   5.240  -9.108
  217    H    LYS  37           H        LYS  37  -4.507   5.064  -7.985
  218    HA   LYS  37           HA       LYS  37  -4.794   2.143  -8.540
  219    HB2  LYS  37           HB2      LYS  37  -3.444   4.360  -9.901
  220    HB3  LYS  37           HB1      LYS  37  -2.434   2.924  -9.725
  221    HG2  LYS  37           HG2      LYS  37  -3.694   1.711 -11.169
  222    HG3  LYS  37           HG1      LYS  37  -5.207   2.354 -10.533
  223    HD2  LYS  37           HD2      LYS  37  -5.291   4.027 -12.073
  224    HD3  LYS  37           HD1      LYS  37  -3.555   4.321 -11.986
  225    HE2  LYS  37           HE2      LYS  37  -3.177   3.066 -13.816
  226    HE3  LYS  37           HE1      LYS  37  -4.098   1.719 -13.146
  227    HZ1  LYS  37           HZ1      LYS  37  -5.816   3.843 -13.911
  228    HZ2  LYS  37           HZ2      LYS  37  -5.819   2.222 -14.422
  229    HZ3  LYS  37           HZ3      LYS  37  -4.848   3.366 -15.220
  230    H    PHE  38           H        PHE  38  -2.693   0.899  -8.321
  231    HA   PHE  38           HA       PHE  38  -1.677   1.206  -5.600
  232    HB2  PHE  38           HB2      PHE  38  -1.233  -0.723  -7.864
  233    HB3  PHE  38           HB1      PHE  38  -0.112  -0.713  -6.509
  234    HD1  PHE  38           HD1      PHE  38  -2.498   0.117  -4.492
  235    HD2  PHE  38           HD2      PHE  38  -1.885  -3.014  -7.374
  236    HE1  PHE  38           HE1      PHE  38  -4.047  -1.355  -3.238
  237    HE2  PHE  38           HE2      PHE  38  -3.437  -4.474  -6.115
  238    HZ   PHE  38           HZ       PHE  38  -4.518  -3.644  -4.047
  239    H    SER  39           H        SER  39   0.162   2.337  -5.060
  240    HA   SER  39           HA       SER  39   1.647   3.826  -6.999
  241    HB2  SER  39           HB2      SER  39   1.804   3.342  -4.122
  242    HB3  SER  39           HB1      SER  39   3.397   3.452  -4.859
  243    HG   SER  39           HG       SER  39   2.704   5.423  -5.815
  244    H    ARG  40           H        ARG  40   4.141   3.439  -7.251
  245    HA   ARG  40           HA       ARG  40   4.446   0.688  -8.239
  246    HB2  ARG  40           HB2      ARG  40   6.005   3.236  -8.480
  247    HB3  ARG  40           HB1      ARG  40   6.831   1.707  -8.784
  248    HG2  ARG  40           HG2      ARG  40   5.646   1.291 -10.696
  249    HG3  ARG  40           HG1      ARG  40   4.170   2.021 -10.063
  250    HD2  ARG  40           HD2      ARG  40   4.960   3.456 -11.827
  251    HD3  ARG  40           HD1      ARG  40   5.303   4.275 -10.303
  252    HE   ARG  40           HE       ARG  40   7.596   4.075 -10.792
  253   HH11  ARG  40          1HH1      ARG  40   5.697   1.861 -12.641
  254   HH12  ARG  40          2HH1      ARG  40   7.042   1.279 -13.563
  255   HH21  ARG  40          1HH2      ARG  40   9.360   3.305 -11.971
  256   HH22  ARG  40          2HH2      ARG  40   9.112   2.096 -13.185
  257    H    ALA  41           H        ALA  41   6.298  -0.647  -7.616
  258    HA   ALA  41           HA       ALA  41   6.673  -0.752  -4.755
  259    HB1  ALA  41           HB1      ALA  41   7.841  -2.743  -5.147
  260    HB2  ALA  41           HB2      ALA  41   8.482  -2.177  -6.689
  261    HB3  ALA  41           HB3      ALA  41   6.792  -2.667  -6.563
  262    H    GLY  42           H        GLY  42   8.955  -0.786  -3.798
  263    HA2  GLY  42           HA2      GLY  42  11.019   0.304  -3.446
  264    HA3  GLY  42           HA1      GLY  42  11.038   0.683  -5.169
  265    H    LYS  43           H        LYS  43   8.227   1.495  -3.302
  266    HA   LYS  43           HA       LYS  43   8.926   4.376  -3.696
  267    HB2  LYS  43           HB2      LYS  43   6.845   4.377  -4.575
  268    HB3  LYS  43           HB1      LYS  43   6.468   2.804  -3.888
  269    HG2  LYS  43           HG2      LYS  43   4.916   4.367  -2.928
  270    HG3  LYS  43           HG1      LYS  43   6.087   3.995  -1.665
  271    HD2  LYS  43           HD2      LYS  43   6.327   6.241  -1.482
  272    HD3  LYS  43           HD1      LYS  43   7.277   6.115  -2.962
  273    HE2  LYS  43           HE2      LYS  43   4.759   6.163  -3.992
  274    HE3  LYS  43           HE1      LYS  43   4.541   7.169  -2.560
  275    HZ1  LYS  43           HZ1      LYS  43   6.950   7.910  -3.736
  276    HZ2  LYS  43           HZ2      LYS  43   5.513   8.815  -3.647
  277    HZ3  LYS  43           HZ3      LYS  43   5.811   7.816  -4.988
  278    H    ILE  44           H        ILE  44   9.506   5.571  -1.964
  279    HA   ILE  44           HA       ILE  44   9.719   4.502   0.663
  280    HB   ILE  44           HB       ILE  44  11.078   6.395   0.062
  281   HG12  ILE  44          2HG1      ILE  44  10.379   8.089   1.823
  282   HG13  ILE  44          1HG1      ILE  44   8.930   7.118   2.075
  283   HG21  ILE  44          1HG2      ILE  44   8.946   8.399  -0.039
  284   HG22  ILE  44          2HG2      ILE  44   8.835   7.213  -1.339
  285   HG23  ILE  44          3HG2      ILE  44  10.310   8.157  -1.129
  286   HD11  ILE  44          3HD1      ILE  44  11.758   6.059   2.305
  287   HD12  ILE  44          1HD1      ILE  44  10.274   5.185   2.683
  288   HD13  ILE  44          2HD1      ILE  44  10.765   6.559   3.674
  289    H    CYS  45           H        CYS  45   7.626   3.583   1.099
  290    HA   CYS  45           HA       CYS  45   5.208   5.163   1.120
  291    HB2  CYS  45           HB2      CYS  45   4.385   3.261   2.641
  292    HB3  CYS  45           HB1      CYS  45   4.910   2.797   1.023
  293    H    ARG  46           H        ARG  46   7.688   4.428   3.522
  294    HA   ARG  46           HA       ARG  46   6.616   6.622   5.199
  295    HB2  ARG  46           HB2      ARG  46   5.657   4.325   5.913
  296    HB3  ARG  46           HB1      ARG  46   7.292   3.973   6.476
  297    HG2  ARG  46           HG2      ARG  46   7.259   5.853   7.983
  298    HG3  ARG  46           HG1      ARG  46   5.740   6.439   7.302
  299    HD2  ARG  46           HD2      ARG  46   4.538   5.085   8.642
  300    HD3  ARG  46           HD1      ARG  46   5.488   3.679   8.160
  301    HE   ARG  46           HE       ARG  46   7.063   4.209   9.972
  302   HH11  ARG  46          1HH1      ARG  46   3.826   4.884  10.410
  303   HH12  ARG  46          2HH1      ARG  46   4.034   5.904  11.794
  304   HH21  ARG  46          1HH2      ARG  46   7.488   6.027  11.515
  305   HH22  ARG  46          2HH2      ARG  46   6.107   6.552  12.419
  306    H    ILE  47           H        ILE  47   8.219   7.294   6.855
  307    HA   ILE  47           HA       ILE  47  10.962   6.954   5.810
  308    HB   ILE  47           HB       ILE  47  10.129   9.224   6.370
  309   HG12  ILE  47          2HG1      ILE  47  12.048   9.823   7.940
  310   HG13  ILE  47          1HG1      ILE  47  12.392   8.094   8.035
  311   HG21  ILE  47          1HG2      ILE  47   9.640   9.842   8.648
  312   HG22  ILE  47          2HG2      ILE  47  10.152   8.262   9.242
  313   HG23  ILE  47          3HG2      ILE  47   8.681   8.410   8.281
  314   HD11  ILE  47          3HD1      ILE  47  12.950   7.952   5.753
  315   HD12  ILE  47          1HD1      ILE  47  13.653   9.493   6.244
  316   HD13  ILE  47          2HD1      ILE  47  12.124   9.461   5.364
  317    H    ALA  48           H        ALA  48  12.705   6.222   7.149
  318    HA   ALA  48           HA       ALA  48  11.960   4.110   8.995
  319    HB1  ALA  48           HB1      ALA  48  14.455   3.943   9.338
  320    HB2  ALA  48           HB2      ALA  48  14.636   5.324   8.257
  321    HB3  ALA  48           HB3      ALA  48  13.949   3.817   7.653
  322    H    ARG  49           H        ARG  49  12.778   4.021  11.255
  323    HA   ARG  49           HA       ARG  49  12.319   6.609  12.602
  324    HB2  ARG  49           HB2      ARG  49  12.684   3.788  13.661
  325    HB3  ARG  49           HB1      ARG  49  12.391   5.197  14.682
  326    HG2  ARG  49           HG2      ARG  49  10.454   5.226  12.586
  327    HG3  ARG  49           HG1      ARG  49  10.472   3.605  13.282
  328    HD2  ARG  49           HD2      ARG  49   9.948   6.233  14.667
  329    HD3  ARG  49           HD1      ARG  49   8.940   4.786  14.641
  330    HE   ARG  49           HE       ARG  49  11.395   4.072  15.858
  331   HH11  ARG  49          1HH1      ARG  49   8.785   3.599  17.183
  332   HH12  ARG  49          2HH1      ARG  49   8.847   4.671  18.542
  333   HH21  ARG  49          1HH2      ARG  49  11.452   6.570  17.264
  334   HH22  ARG  49          2HH2      ARG  49  10.357   6.353  18.588
  335    H    GLY  50           H        GLY  50  14.428   7.425  11.685
  336    HA2  GLY  50           HA2      GLY  50  16.426   7.981  13.350
  337    HA3  GLY  50           HA1      GLY  50  16.837   6.304  13.001
  338    H    ASP  51           H        ASP  51  17.758   5.812  11.014
  339    HA   ASP  51           HA       ASP  51  17.667   7.472   8.695
  340    HB2  ASP  51           HB2      ASP  51  19.585   8.259  10.742
  341    HB3  ASP  51           HB1      ASP  51  20.384   7.862   9.221
  342    H    TRP  52           H        TRP  52  17.364   4.814   8.843
  343    HA   TRP  52           HA       TRP  52  19.916   3.773   7.696
  344    HB2  TRP  52           HB2      TRP  52  18.923   1.493   8.665
  345    HB3  TRP  52           HB1      TRP  52  19.925   2.552   9.651
  346    HD1  TRP  52           HD       TRP  52  16.142   2.626   8.764
  347    HE1  TRP  52           HE1      TRP  52  14.825   2.937  10.957
  348    HE3  TRP  52           HE3      TRP  52  20.003   2.711  12.110
  349    HZ2  TRP  52           HZ2      TRP  52  15.339   3.189  13.760
  350    HZ3  TRP  52           HZ3      TRP  52  19.559   2.991  14.532
  351    HH2  TRP  52           HH       TRP  52  17.235   3.229  15.360
  352    H    ASN  53           H        ASN  53  17.306   1.543   7.852
  353    HA   ASN  53           HA       ASN  53  16.954   1.834   4.929
  354    HB2  ASN  53           HB2      ASN  53  17.063  -0.367   6.685
  355    HB3  ASN  53           HB1      ASN  53  15.392  -0.290   6.126
  356   HD21  ASN  53          1HD2      ASN  53  16.602  -2.463   5.143
  357   HD22  ASN  53          2HD2      ASN  53  17.122  -2.257   3.540
  358    H    ASP  54           H        ASP  54  15.286   3.058   4.208
  359    HA   ASP  54           HA       ASP  54  13.149   3.930   5.970
  360    HB2  ASP  54           HB2      ASP  54  12.998   4.130   2.973
  361    HB3  ASP  54           HB1      ASP  54  12.455   5.282   4.194
  362    H    ASP  55           H        ASP  55  11.028   3.722   3.916
  363    HA   ASP  55           HA       ASP  55  10.493   0.785   4.058
  364    HB2  ASP  55           HB2      ASP  55   8.551   3.059   4.573
  365    HB3  ASP  55           HB1      ASP  55   8.100   1.357   4.467
  366    H    ARG  56           H        ARG  56  10.514   0.106   1.976
  367    HA   ARG  56           HA       ARG  56   9.683   1.948  -0.189
  368    HB2  ARG  56           HB2      ARG  56  10.758  -0.877  -0.378
  369    HB3  ARG  56           HB1      ARG  56  10.636   0.301  -1.682
  370    HG2  ARG  56           HG2      ARG  56  12.082   1.374   0.611
  371    HG3  ARG  56           HG1      ARG  56  12.845  -0.085  -0.025
  372    HD2  ARG  56           HD2      ARG  56  12.899   0.875  -2.269
  373    HD3  ARG  56           HD1      ARG  56  12.033   2.305  -1.706
  374    HE   ARG  56           HE       ARG  56  14.095   2.652  -0.185
  375   HH11  ARG  56          1HH1      ARG  56  14.719   0.139  -2.274
  376   HH12  ARG  56          2HH1      ARG  56  16.127   0.839  -2.999
  377   HH21  ARG  56          1HH2      ARG  56  15.671   3.942  -1.524
  378   HH22  ARG  56          2HH2      ARG  56  16.667   2.990  -2.574
  379    H    CYS  57           H        CYS  57   7.859   1.684  -1.397
  380    HA   CYS  57           HA       CYS  57   5.705   0.060  -0.369
  381    HB2  CYS  57           HB2      CYS  57   5.988   2.175  -2.225
  382    HB3  CYS  57           HB1      CYS  57   5.314   0.824  -3.129
  383    H    THR  58           H        THR  58   4.874  -1.865  -1.229
  384    HA   THR  58           HA       THR  58   6.755  -3.640  -2.496
  385    HB   THR  58           HB       THR  58   4.095  -4.635  -2.780
  386    HG1  THR  58           HG1      THR  58   4.108  -4.240  -0.176
  387   HG21  THR  58          3HG2      THR  58   5.535  -6.297  -2.188
  388   HG22  THR  58          1HG2      THR  58   5.105  -5.829  -0.543
  389   HG23  THR  58          2HG2      THR  58   6.578  -5.201  -1.282
  390    H    GLY  59           H        GLY  59   4.230  -1.522  -3.680
  391    HA2  GLY  59           HA2      GLY  59   4.330  -0.762  -6.008
  392    HA3  GLY  59           HA1      GLY  59   4.960  -2.346  -6.453
  393    H    GLN  60           H        GLN  60   3.072  -3.924  -4.973
  394    HA   GLN  60           HA       GLN  60   0.578  -3.291  -6.503
  395    HB2  GLN  60           HB2      GLN  60   0.248  -5.875  -6.237
  396    HB3  GLN  60           HB1      GLN  60   1.358  -5.274  -7.470
  397    HG2  GLN  60           HG2      GLN  60   3.261  -5.826  -6.210
  398    HG3  GLN  60           HG1      GLN  60   2.359  -5.878  -4.695
  399   HE21  GLN  60          1HE2      GLN  60   2.143  -7.997  -3.977
  400   HE22  GLN  60          2HE2      GLN  60   1.912  -9.350  -4.976
  401    H    SER  61           H        SER  61   1.836  -3.329  -3.437
  402    HA   SER  61           HA       SER  61  -0.737  -4.234  -2.223
  403    HB2  SER  61           HB2      SER  61   1.867  -4.864  -1.532
  404    HB3  SER  61           HB1      SER  61   1.457  -3.593  -0.383
  405    HG   SER  61           HG       SER  61  -0.257  -5.779  -0.940
  406    H    ALA  62           H        ALA  62  -2.108  -2.555  -1.870
  407    HA   ALA  62           HA       ALA  62  -1.369   0.190  -1.865
  408    HB1  ALA  62           HB1      ALA  62  -3.778  -1.371  -1.107
  409    HB2  ALA  62           HB2      ALA  62  -3.634   0.043  -2.148
  410    HB3  ALA  62           HB3      ALA  62  -3.643   0.236  -0.396
  411    H    ASP  63           H        ASP  63  -1.475  -2.201   0.707
  412    HA   ASP  63           HA       ASP  63  -0.907  -0.126   2.744
  413    HB2  ASP  63           HB2      ASP  63  -1.677  -3.020   2.795
  414    HB3  ASP  63           HB1      ASP  63  -0.791  -2.369   4.176
  415    H    CYS  64           H        CYS  64   1.207   0.532   2.507
  416    HA   CYS  64           HA       CYS  64   3.405  -0.952   1.596
  417    HB2  CYS  64           HB2      CYS  64   3.772   1.366   1.906
  418    HB3  CYS  64           HB1      CYS  64   3.173   1.328   3.562
  419    HA   PRO  65           HA       PRO  65   4.036  -3.926   4.726
  420    HB2  PRO  65           HB2      PRO  65   6.507  -4.707   3.852
  421    HB3  PRO  65           HB1      PRO  65   5.011  -5.208   3.068
  422    HG2  PRO  65           HG2      PRO  65   7.057  -3.246   2.171
  423    HG3  PRO  65           HG1      PRO  65   5.903  -4.185   1.208
  424    HD2  PRO  65           HD2      PRO  65   5.655  -1.457   1.911
  425    HD3  PRO  65           HD1      PRO  65   4.382  -2.484   1.218
  426    H    ARG  66           H        ARG  66   6.407  -4.550   5.954
  427    HA   ARG  66           HA       ARG  66   7.287  -1.933   7.108
  428    HB2  ARG  66           HB2      ARG  66   5.990  -3.582   8.599
  429    HB3  ARG  66           HB1      ARG  66   7.432  -4.595   8.530
  430    HG2  ARG  66           HG2      ARG  66   8.621  -3.213   9.889
  431    HG3  ARG  66           HG1      ARG  66   7.967  -1.759   9.137
  432    HD2  ARG  66           HD2      ARG  66   6.588  -3.506  11.194
  433    HD3  ARG  66           HD1      ARG  66   7.182  -1.863  11.434
  434    HE   ARG  66           HE       ARG  66   5.424  -1.518   9.377
  435   HH11  ARG  66          1HH2      ARG  66   4.816  -4.085  11.402
  436   HH12  ARG  66          2HH2      ARG  66   3.315  -3.487  12.025
  437   HH21  ARG  66          1HH1      ARG  66   3.670  -0.346  10.600
  438   HH22  ARG  66          2HH1      ARG  66   2.666  -1.369  11.571
  439    H    ASN  67           H        ASN  67   9.301  -1.457   6.378
  440    HA   ASN  67           HA       ASN  67  11.168  -3.702   5.795
  441    HB2  ASN  67           HB2      ASN  67  10.618  -1.191   4.531
  442    HB3  ASN  67           HB1      ASN  67  12.292  -1.179   5.087
  443   HD21  ASN  67          1HD2      ASN  67  10.169  -3.785   3.756
  444   HD22  ASN  67          2HD2      ASN  67  11.267  -4.264   2.555
  445    H    GLY  68           H        GLY  68  10.455  -1.494   8.231
  446    HA2  GLY  68           HA2      GLY  68  13.089  -0.766   9.114
  447    HA3  GLY  68           HA1      GLY  68  11.644  -0.778  10.125
  448    H    LEU  69           H        LEU  69  14.581  -1.947  10.251
  449    HA   LEU  69           HA       LEU  69  14.135  -4.803  10.592
  450    HB2  LEU  69           HB2      LEU  69  16.435  -4.695  11.673
  451    HB3  LEU  69           HB1      LEU  69  16.359  -4.100  10.015
  452    HG   LEU  69           HG       LEU  69  15.757  -1.992  11.928
  453   HD11  LEU  69          1HD1      LEU  69  18.038  -1.802  12.858
  454   HD12  LEU  69          2HD1      LEU  69  18.470  -3.338  12.105
  455   HD13  LEU  69          3HD1      LEU  69  17.259  -3.293  13.386
  456   HD21  LEU  69          3HD2      LEU  69  17.003  -0.739  10.441
  457   HD22  LEU  69          1HD2      LEU  69  16.621  -2.106   9.393
  458   HD23  LEU  69          2HD2      LEU  69  18.190  -2.020  10.196
  459    H    TYR  70           H        TYR  70  12.368  -4.876  12.114
  460    HA   TYR  70           HA       TYR  70  13.266  -4.724  14.906
  461    HB2  TYR  70           HB2      TYR  70  11.028  -2.979  13.843
  462    HB3  TYR  70           HB1      TYR  70  11.263  -3.322  15.558
  463    HD1  TYR  70           HD1      TYR  70  13.689  -2.894  16.487
  464    HD2  TYR  70           HD2      TYR  70  12.125  -1.148  12.886
  465    HE1  TYR  70           HE1      TYR  70  15.393  -1.097  16.617
  466    HE2  TYR  70           HE2      TYR  70  13.829   0.648  13.017
  467    HH   TYR  70           HH       TYR  70  15.900   1.015  15.823
  468    H    GLY  71           H        GLY  71  12.448  -6.885  13.188
  469    HA2  GLY  71           HA2      GLY  71  11.199  -8.861  13.599
  470    HA3  GLY  71           HA1      GLY  71  10.331  -8.009  14.876
  Start of MODEL    9
    1    H    GLY   1           HT1      GLY   1 -13.807  -8.412   5.840
    2    HA2  GLY   1           HA1      GLY   1 -12.748  -8.436   3.072
    3    HA3  GLY   1           HA2      GLY   1 -13.421  -9.865   3.858
    4    H    LYS   2           H        LYS   2 -14.617  -6.624   4.499
    5    HA   LYS   2           HA       LYS   2 -17.298  -7.455   3.648
    6    HB2  LYS   2           HB2      LYS   2 -16.447  -4.696   4.553
    7    HB3  LYS   2           HB1      LYS   2 -18.057  -5.412   4.629
    8    HG2  LYS   2           HG2      LYS   2 -16.058  -7.042   6.002
    9    HG3  LYS   2           HG1      LYS   2 -16.179  -5.418   6.680
   10    HD2  LYS   2           HD2      LYS   2 -18.274  -5.776   7.488
   11    HD3  LYS   2           HD1      LYS   2 -18.774  -6.679   6.058
   12    HE2  LYS   2           HE2      LYS   2 -16.927  -7.794   8.187
   13    HE3  LYS   2           HE1      LYS   2 -18.670  -8.064   8.165
   14    HZ1  LYS   2           HZ1      LYS   2 -18.466  -9.078   5.995
   15    HZ2  LYS   2           HZ2      LYS   2 -17.450  -9.872   7.102
   16    HZ3  LYS   2           HZ3      LYS   2 -16.796  -8.782   5.975
   17    H    GLU   3           H        GLU   3 -18.379  -5.158   2.579
   18    HA   GLU   3           HA       GLU   3 -17.010  -5.053  -0.064
   19    HB2  GLU   3           HB2      GLU   3 -19.831  -4.639   0.875
   20    HB3  GLU   3           HB1      GLU   3 -19.306  -3.869  -0.621
   21    HG2  GLU   3           HG2      GLU   3 -20.268  -6.061  -1.125
   22    HG3  GLU   3           HG1      GLU   3 -18.535  -6.086  -1.456
   23    H    CYS   4           H        CYS   4 -15.801  -3.539   1.973
   24    HA   CYS   4           HA       CYS   4 -16.380  -0.774   0.993
   25    HB2  CYS   4           HB2      CYS   4 -15.899  -1.692   3.838
   26    HB3  CYS   4           HB1      CYS   4 -15.722  -0.011   3.347
   27    H    ASP   5           H        ASP   5 -14.602  -0.934  -0.436
   28    HA   ASP   5           HA       ASP   5 -11.978  -1.802   0.404
   29    HB2  ASP   5           HB2      ASP   5 -12.992  -1.559  -2.007
   30    HB3  ASP   5           HB1      ASP   5 -12.420   0.105  -1.881
   31    H    CYS   6           H        CYS   6 -13.730   1.173   0.703
   32    HA   CYS   6           HA       CYS   6 -11.228   2.475   1.700
   33    HB2  CYS   6           HB2      CYS   6 -12.153   4.631   0.965
   34    HB3  CYS   6           HB1      CYS   6 -12.030   3.519  -0.399
   35    H    SER   7           H        SER   7 -11.420   3.631   3.643
   36    HA   SER   7           HA       SER   7 -13.853   2.999   5.217
   37    HB2  SER   7           HB2      SER   7 -11.600   2.504   6.170
   38    HB3  SER   7           HB1      SER   7 -11.223   4.224   6.107
   39    HG   SER   7           HG       SER   7 -13.246   4.444   7.388
   40    H    SER   8           H        SER   8 -13.101   5.368   3.156
   41    HA   SER   8           HA       SER   8 -14.343   7.479   4.872
   42    HB2  SER   8           HB2      SER   8 -12.540   7.970   2.493
   43    HB3  SER   8           HB1      SER   8 -13.100   9.150   3.675
   44    HG   SER   8           HG       SER   8 -11.549   6.866   4.330
   45    HA   PRO   9           HA       PRO   9 -17.515   7.126   1.754
   46    HB2  PRO   9           HB2      PRO   9 -19.211   8.957   2.907
   47    HB3  PRO   9           HB1      PRO   9 -19.051   7.283   3.467
   48    HG2  PRO   9           HG2      PRO   9 -18.006   9.786   4.708
   49    HG3  PRO   9           HG1      PRO   9 -18.433   8.247   5.475
   50    HD2  PRO   9           HD2      PRO   9 -15.811   9.127   4.878
   51    HD3  PRO   9           HD1      PRO   9 -16.279   7.474   5.328
   52    H    GLU  10           H        GLU  10 -15.832  10.023   2.721
   53    HA   GLU  10           HA       GLU  10 -16.995  11.700   0.618
   54    HB2  GLU  10           HB2      GLU  10 -16.088  12.567   2.833
   55    HB3  GLU  10           HB1      GLU  10 -14.474  12.221   2.211
   56    HG2  GLU  10           HG2      GLU  10 -14.483  14.059   0.899
   57    HG3  GLU  10           HG1      GLU  10 -16.094  13.692   0.280
   58    H    ASN  11           H        ASN  11 -14.751   9.216   0.674
   59    HA   ASN  11           HA       ASN  11 -12.850  10.262  -1.255
   60    HB2  ASN  11           HB2      ASN  11 -12.539   8.313   0.421
   61    HB3  ASN  11           HB1      ASN  11 -13.411   7.340  -0.762
   62   HD21  ASN  11          1HD2      ASN  11 -10.761   6.648  -0.249
   63   HD22  ASN  11          2HD2      ASN  11  -9.781   7.074  -1.568
   64    HA   PRO  12           HA       PRO  12 -15.721   9.590  -4.629
   65    HB2  PRO  12           HB2      PRO  12 -14.109  10.740  -6.541
   66    HB3  PRO  12           HB1      PRO  12 -15.128  11.670  -5.428
   67    HG2  PRO  12           HG2      PRO  12 -12.170  11.280  -5.384
   68    HG3  PRO  12           HG1      PRO  12 -13.134  12.628  -4.761
   69    HD2  PRO  12           HD2      PRO  12 -12.013  10.550  -3.209
   70    HD3  PRO  12           HD1      PRO  12 -13.262  11.694  -2.671
   71    H    CYS  13           H        CYS  13 -12.290   8.741  -4.626
   72    HA   CYS  13           HA       CYS  13 -12.103   7.156  -6.927
   73    HB2  CYS  13           HB2      CYS  13 -10.689   7.404  -4.381
   74    HB3  CYS  13           HB1      CYS  13 -10.644   5.759  -5.018
   75    H    CYS  14           H        CYS  14 -13.495   6.353  -3.767
   76    HA   CYS  14           HA       CYS  14 -14.285   3.695  -4.881
   77    HB2  CYS  14           HB2      CYS  14 -14.445   2.908  -2.604
   78    HB3  CYS  14           HB1      CYS  14 -12.893   3.731  -2.776
   79    H    ASP  15           H        ASP  15 -16.439   3.098  -4.853
   80    HA   ASP  15           HA       ASP  15 -18.435   5.159  -4.904
   81    HB2  ASP  15           HB2      ASP  15 -18.425   2.757  -5.964
   82    HB3  ASP  15           HB1      ASP  15 -19.079   2.264  -4.399
   83    H    ALA  16           H        ALA  16 -19.739   5.919  -3.254
   84    HA   ALA  16           HA       ALA  16 -19.033   5.264  -0.517
   85    HB1  ALA  16           HB1      ALA  16 -20.201   7.145   0.005
   86    HB2  ALA  16           HB2      ALA  16 -21.599   6.650  -0.950
   87    HB3  ALA  16           HB3      ALA  16 -20.222   7.421  -1.737
   88    H    ALA  17           H        ALA  17 -21.880   4.625  -2.574
   89    HA   ALA  17           HA       ALA  17 -23.448   3.268  -0.646
   90    HB1  ALA  17           HB1      ALA  17 -24.168   3.933  -2.980
   91    HB2  ALA  17           HB2      ALA  17 -24.642   2.302  -2.505
   92    HB3  ALA  17           HB3      ALA  17 -23.266   2.542  -3.581
   93    H    THR  18           H        THR  18 -20.942   2.005  -2.848
   94    HA   THR  18           HA       THR  18 -21.065  -0.582  -1.363
   95    HB   THR  18           HB       THR  18 -20.057  -1.610  -3.260
   96    HG1  THR  18           HG1      THR  18 -19.478  -0.006  -5.035
   97   HG21  THR  18          3HG2      THR  18 -22.402  -0.044  -3.517
   98   HG22  THR  18          1HG2      THR  18 -21.953  -1.469  -4.456
   99   HG23  THR  18          2HG2      THR  18 -21.505   0.141  -5.024
  100    H    CYS  19           H        CYS  19 -19.540   2.196  -0.962
  101    HA   CYS  19           HA       CYS  19 -17.338   2.877  -0.373
  102    HB2  CYS  19           HB2      CYS  19 -16.510   1.143   1.479
  103    HB3  CYS  19           HB1      CYS  19 -17.804   2.283   1.793
  104    H    LYS  20           H        LYS  20 -17.336   1.109  -2.741
  105    HA   LYS  20           HA       LYS  20 -14.616  -0.071  -2.308
  106    HB2  LYS  20           HB2      LYS  20 -16.884  -1.188  -3.981
  107    HB3  LYS  20           HB1      LYS  20 -15.230  -1.800  -4.015
  108    HG2  LYS  20           HG2      LYS  20 -15.427  -2.824  -1.984
  109    HG3  LYS  20           HG1      LYS  20 -16.434  -1.539  -1.319
  110    HD2  LYS  20           HD2      LYS  20 -17.721  -3.630  -1.565
  111    HD3  LYS  20           HD1      LYS  20 -18.358  -2.371  -2.623
  112    HE2  LYS  20           HE2      LYS  20 -18.227  -4.134  -4.124
  113    HE3  LYS  20           HE1      LYS  20 -16.632  -3.416  -4.347
  114    HZ1  LYS  20           HZ1      LYS  20 -17.207  -5.998  -3.550
  115    HZ2  LYS  20           HZ2      LYS  20 -16.607  -5.217  -2.166
  116    HZ3  LYS  20           HZ3      LYS  20 -15.684  -5.252  -3.592
  117    H    LEU  21           H        LEU  21 -13.503  -0.397  -4.545
  118    HA   LEU  21           HA       LEU  21 -13.222   2.150  -5.781
  119    HB2  LEU  21           HB2      LEU  21 -12.331  -0.633  -6.444
  120    HB3  LEU  21           HB1      LEU  21 -12.152   0.628  -7.665
  121    HG   LEU  21           HG       LEU  21 -11.284   1.683  -5.149
  122   HD11  LEU  21          1HD1      LEU  21 -10.954  -1.041  -5.096
  123   HD12  LEU  21          2HD1      LEU  21  -9.932   0.105  -4.227
  124   HD13  LEU  21          3HD1      LEU  21  -9.426  -0.511  -5.800
  125   HD21  LEU  21          3HD2      LEU  21 -10.625   2.225  -7.578
  126   HD22  LEU  21          1HD2      LEU  21  -9.551   0.831  -7.473
  127   HD23  LEU  21          2HD2      LEU  21  -9.323   2.204  -6.390
  128    H    ARG  22           H        ARG  22 -14.870   3.108  -6.864
  129    HA   ARG  22           HA       ARG  22 -16.826   1.521  -8.361
  130    HB2  ARG  22           HB2      ARG  22 -17.072   3.838  -7.022
  131    HB3  ARG  22           HB1      ARG  22 -16.751   4.484  -8.632
  132    HG2  ARG  22           HG2      ARG  22 -18.603   2.328  -8.912
  133    HG3  ARG  22           HG1      ARG  22 -19.193   3.385  -7.628
  134    HD2  ARG  22           HD2      ARG  22 -18.394   5.227  -9.476
  135    HD3  ARG  22           HD1      ARG  22 -18.920   3.911 -10.526
  136    HE   ARG  22           HE       ARG  22 -21.073   4.018  -9.009
  137   HH11  ARG  22          1HH1      ARG  22 -19.684   6.283 -11.034
  138   HH12  ARG  22          2HH1      ARG  22 -20.651   7.620 -10.507
  139   HH21  ARG  22          1HH2      ARG  22 -22.062   5.895  -7.853
  140   HH22  ARG  22          2HH2      ARG  22 -21.996   7.400  -8.707
  141    HA   PRO  23           HA       PRO  23 -14.747   3.810 -12.009
  142    HB2  PRO  23           HB2      PRO  23 -12.354   5.073 -11.514
  143    HB3  PRO  23           HB1      PRO  23 -13.932   5.869 -11.394
  144    HG2  PRO  23           HG2      PRO  23 -12.117   4.971  -9.212
  145    HG3  PRO  23           HG1      PRO  23 -13.344   6.247  -9.196
  146    HD2  PRO  23           HD2      PRO  23 -13.616   3.650  -8.099
  147    HD3  PRO  23           HD1      PRO  23 -14.928   4.824  -8.344
  148    H    GLY  24           H        GLY  24 -12.273   3.661 -13.094
  149    HA2  GLY  24           HA2      GLY  24 -11.612   0.811 -12.776
  150    HA3  GLY  24           HA1      GLY  24 -10.996   1.883 -14.031
  151    H    ALA  25           H        ALA  25 -10.828   3.008 -10.750
  152    HA   ALA  25           HA       ALA  25  -7.938   3.180 -10.901
  153    HB1  ALA  25           HB1      ALA  25  -8.219   3.809  -8.416
  154    HB2  ALA  25           HB2      ALA  25  -9.953   3.721  -8.716
  155    HB3  ALA  25           HB3      ALA  25  -8.962   4.879  -9.603
  156    H    GLN  26           H        GLN  26  -6.482   2.141  -9.241
  157    HA   GLN  26           HA       GLN  26  -7.259  -0.697  -8.922
  158    HB2  GLN  26           HB2      GLN  26  -4.904   0.458  -9.674
  159    HB3  GLN  26           HB1      GLN  26  -4.612   0.202  -7.953
  160    HG2  GLN  26           HG2      GLN  26  -4.639  -2.079  -8.148
  161    HG3  GLN  26           HG1      GLN  26  -5.869  -2.058  -9.411
  162   HE21  GLN  26          1HE2      GLN  26  -3.255  -3.521  -9.436
  163   HE22  GLN  26          2HE2      GLN  26  -2.422  -2.948 -10.799
  164    H    CYS  27           H        CYS  27  -6.378   2.115  -6.949
  165    HA   CYS  27           HA       CYS  27  -7.528   0.701  -4.602
  166    HB2  CYS  27           HB2      CYS  27  -5.328   0.307  -4.021
  167    HB3  CYS  27           HB1      CYS  27  -4.725   1.694  -4.917
  168    H    GLY  28           H        GLY  28  -8.770   2.050  -3.346
  169    HA2  GLY  28           HA2      GLY  28  -9.084   4.834  -4.270
  170    HA3  GLY  28           HA1      GLY  28 -10.143   4.000  -3.139
  171    H    GLU  29           H        GLU  29  -7.822   3.012  -1.595
  172    HA   GLU  29           HA       GLU  29  -6.633   5.501  -0.547
  173    HB2  GLU  29           HB2      GLU  29  -7.441   5.122   1.689
  174    HB3  GLU  29           HB1      GLU  29  -8.828   5.154   0.615
  175    HG2  GLU  29           HG2      GLU  29  -9.338   3.217   1.737
  176    HG3  GLU  29           HG1      GLU  29  -8.281   2.527   0.504
  177    H    GLY  30           H        GLY  30  -4.584   5.115   0.266
  178    HA2  GLY  30           HA2      GLY  30  -3.553   2.950   1.610
  179    HA3  GLY  30           HA1      GLY  30  -3.489   2.426  -0.073
  180    H    LEU  31           H        LEU  31  -1.219   2.985   1.701
  181    HA   LEU  31           HA       LEU  31  -0.052   5.535   1.117
  182    HB2  LEU  31           HB2      LEU  31   0.835   2.971   2.268
  183    HB3  LEU  31           HB1      LEU  31   2.108   3.870   1.446
  184    HG   LEU  31           HG       LEU  31   1.856   4.444   3.890
  185   HD11  LEU  31          1HD1      LEU  31   2.037   6.193   1.603
  186   HD12  LEU  31          2HD1      LEU  31   2.845   6.330   3.165
  187   HD13  LEU  31          3HD1      LEU  31   1.245   7.035   2.935
  188   HD21  LEU  31          3HD2      LEU  31  -0.426   6.199   3.452
  189   HD22  LEU  31          1HD2      LEU  31  -0.155   5.025   4.740
  190   HD23  LEU  31          2HD2      LEU  31  -0.861   4.508   3.208
  191    H    CYS  32           H        CYS  32  -0.075   2.462  -0.623
  192    HA   CYS  32           HA       CYS  32   1.731   3.617  -2.687
  193    HB2  CYS  32           HB2      CYS  32   0.610   0.862  -2.948
  194    HB3  CYS  32           HB1      CYS  32   2.215   1.460  -3.356
  195    H    CYS  33           H        CYS  33  -0.792   4.823  -2.539
  196    HA   CYS  33           HA       CYS  33  -2.092   3.748  -5.009
  197    HB2  CYS  33           HB2      CYS  33  -3.470   5.249  -2.765
  198    HB3  CYS  33           HB1      CYS  33  -4.238   4.486  -4.156
  199    H    GLU  34           H        GLU  34  -0.877   5.143  -6.367
  200    HA   GLU  34           HA       GLU  34  -1.179   8.069  -5.918
  201    HB2  GLU  34           HB2      GLU  34   1.089   6.990  -6.454
  202    HB3  GLU  34           HB1      GLU  34   0.452   6.705  -8.074
  203    HG2  GLU  34           HG2      GLU  34   1.176   8.789  -8.567
  204    HG3  GLU  34           HG1      GLU  34  -0.183   9.366  -7.602
  205    H    GLN  35           H        GLN  35  -2.710   9.147  -7.099
  206    HA   GLN  35           HA       GLN  35  -4.342   9.536  -8.741
  207    HB2  GLN  35           HB2      GLN  35  -2.202   8.023 -10.161
  208    HB3  GLN  35           HB1      GLN  35  -3.777   8.093 -10.952
  209    HG2  GLN  35           HG2      GLN  35  -3.142  10.699  -9.928
  210    HG3  GLN  35           HG1      GLN  35  -1.779  10.113 -10.883
  211   HE21  GLN  35          1HE2      GLN  35  -2.170   9.615 -13.171
  212   HE22  GLN  35          2HE2      GLN  35  -3.554  10.192 -13.966
  213    H    CYS  36           H        CYS  36  -4.427   7.258  -6.814
  214    HA   CYS  36           HA       CYS  36  -5.955   5.554  -6.314
  215    HB2  CYS  36           HB2      CYS  36  -7.301   7.108  -8.190
  216    HB3  CYS  36           HB1      CYS  36  -7.364   5.484  -8.867
  217    H    LYS  37           H        LYS  37  -3.496   5.392  -8.259
  218    HA   LYS  37           HA       LYS  37  -4.130   2.690  -9.365
  219    HB2  LYS  37           HB2      LYS  37  -2.678   4.969 -10.403
  220    HB3  LYS  37           HB1      LYS  37  -1.623   3.558 -10.328
  221    HG2  LYS  37           HG2      LYS  37  -2.812   2.417 -11.908
  222    HG3  LYS  37           HG1      LYS  37  -4.359   3.058 -11.351
  223    HD2  LYS  37           HD2      LYS  37  -3.948   5.176 -12.453
  224    HD3  LYS  37           HD1      LYS  37  -2.308   4.685 -12.878
  225    HE2  LYS  37           HE2      LYS  37  -4.195   2.700 -13.792
  226    HE3  LYS  37           HE1      LYS  37  -4.655   4.289 -14.399
  227    HZ1  LYS  37           HZ1      LYS  37  -2.675   4.540 -15.510
  228    HZ2  LYS  37           HZ2      LYS  37  -2.945   2.872 -15.695
  229    HZ3  LYS  37           HZ3      LYS  37  -1.844   3.435 -14.529
  230    H    PHE  38           H        PHE  38  -2.182   1.163  -9.286
  231    HA   PHE  38           HA       PHE  38  -1.204   1.057  -6.535
  232    HB2  PHE  38           HB2      PHE  38  -1.114  -0.705  -8.928
  233    HB3  PHE  38           HB1      PHE  38   0.194  -0.895  -7.769
  234    HD1  PHE  38           HD1      PHE  38  -2.940   0.345  -6.437
  235    HD2  PHE  38           HD2      PHE  38  -0.724  -3.214  -7.370
  236    HE1  PHE  38           HE1      PHE  38  -4.426  -0.974  -4.956
  237    HE2  PHE  38           HE2      PHE  38  -2.213  -4.529  -5.888
  238    HZ   PHE  38           HZ       PHE  38  -4.065  -3.409  -4.680
  239    H    SER  39           H        SER  39   0.558   2.246  -5.921
  240    HA   SER  39           HA       SER  39   2.366   3.481  -7.757
  241    HB2  SER  39           HB2      SER  39   2.574   2.788  -4.819
  242    HB3  SER  39           HB1      SER  39   3.897   3.570  -5.679
  243    HG   SER  39           HG       SER  39   2.733   5.252  -5.004
  244    H    ARG  40           H        ARG  40   4.885   2.815  -7.529
  245    HA   ARG  40           HA       ARG  40   4.930  -0.046  -8.311
  246    HB2  ARG  40           HB2      ARG  40   6.772   2.295  -8.735
  247    HB3  ARG  40           HB1      ARG  40   7.408   0.656  -8.871
  248    HG2  ARG  40           HG2      ARG  40   6.720   1.056 -11.062
  249    HG3  ARG  40           HG1      ARG  40   5.290   0.272 -10.388
  250    HD2  ARG  40           HD2      ARG  40   4.256   2.121 -11.277
  251    HD3  ARG  40           HD1      ARG  40   4.722   2.816  -9.725
  252    HE   ARG  40           HE       ARG  40   6.075   3.328 -12.319
  253   HH11  ARG  40          1HH1      ARG  40   4.769   5.208 -10.149
  254   HH12  ARG  40          2HH1      ARG  40   6.197   5.998  -9.568
  255   HH21  ARG  40          1HH2      ARG  40   8.369   3.732 -11.043
  256   HH22  ARG  40          2HH2      ARG  40   8.236   5.162 -10.075
  257    H    ALA  41           H        ALA  41   6.939  -1.299  -7.521
  258    HA   ALA  41           HA       ALA  41   6.964  -1.252  -4.626
  259    HB1  ALA  41           HB1      ALA  41   7.630  -3.113  -6.579
  260    HB2  ALA  41           HB2      ALA  41   7.911  -3.301  -4.848
  261    HB3  ALA  41           HB3      ALA  41   9.193  -2.680  -5.887
  262    H    GLY  42           H        GLY  42   9.082  -1.105  -3.391
  263    HA2  GLY  42           HA2      GLY  42  11.030   0.094  -2.826
  264    HA3  GLY  42           HA1      GLY  42  11.262   0.408  -4.545
  265    H    LYS  43           H        LYS  43   8.187   1.185  -3.130
  266    HA   LYS  43           HA       LYS  43   8.774   4.056  -3.625
  267    HB2  LYS  43           HB2      LYS  43   6.672   4.021  -4.436
  268    HB3  LYS  43           HB1      LYS  43   6.446   2.373  -3.871
  269    HG2  LYS  43           HG2      LYS  43   4.733   3.674  -2.809
  270    HG3  LYS  43           HG1      LYS  43   5.932   3.376  -1.569
  271    HD2  LYS  43           HD2      LYS  43   5.095   5.767  -1.707
  272    HD3  LYS  43           HD1      LYS  43   6.844   5.585  -1.798
  273    HE2  LYS  43           HE2      LYS  43   6.927   6.144  -4.037
  274    HE3  LYS  43           HE1      LYS  43   5.304   5.534  -4.357
  275    HZ1  LYS  43           HZ1      LYS  43   5.592   8.026  -4.355
  276    HZ2  LYS  43           HZ2      LYS  43   5.794   7.917  -2.672
  277    HZ3  LYS  43           HZ3      LYS  43   4.337   7.419  -3.390
  278    H    ILE  44           H        ILE  44   9.213   5.429  -1.971
  279    HA   ILE  44           HA       ILE  44   9.387   4.522   0.736
  280    HB   ILE  44           HB       ILE  44   9.673   7.113  -0.688
  281   HG12  ILE  44          2HG1      ILE  44  11.559   5.616  -0.099
  282   HG13  ILE  44          1HG1      ILE  44  11.706   7.182   0.702
  283   HG21  ILE  44          1HG2      ILE  44   8.084   7.791   1.056
  284   HG22  ILE  44          2HG2      ILE  44   9.695   8.390   1.451
  285   HG23  ILE  44          3HG2      ILE  44   9.054   6.973   2.281
  286   HD11  ILE  44          3HD1      ILE  44  10.155   5.659   2.457
  287   HD12  ILE  44          1HD1      ILE  44  11.863   6.050   2.650
  288   HD13  ILE  44          2HD1      ILE  44  11.386   4.536   1.881
  289    H    CYS  45           H        CYS  45   7.672   3.928   1.890
  290    HA   CYS  45           HA       CYS  45   5.122   5.452   1.565
  291    HB2  CYS  45           HB2      CYS  45   4.198   3.309   2.753
  292    HB3  CYS  45           HB1      CYS  45   4.568   3.250   1.035
  293    H    ARG  46           H        ARG  46   7.651   4.551   3.678
  294    HA   ARG  46           HA       ARG  46   6.500   6.231   5.790
  295    HB2  ARG  46           HB2      ARG  46   5.801   3.640   5.967
  296    HB3  ARG  46           HB1      ARG  46   7.372   3.557   6.765
  297    HG2  ARG  46           HG2      ARG  46   6.692   4.833   8.547
  298    HG3  ARG  46           HG1      ARG  46   5.591   5.801   7.567
  299    HD2  ARG  46           HD2      ARG  46   4.368   3.397   7.378
  300    HD3  ARG  46           HD1      ARG  46   5.112   3.226   8.967
  301    HE   ARG  46           HE       ARG  46   3.597   5.719   8.501
  302   HH11  ARG  46          1HH1      ARG  46   4.367   4.304  11.148
  303   HH12  ARG  46          2HH1      ARG  46   2.810   3.749  11.664
  304   HH21  ARG  46          1HH2      ARG  46   1.315   4.243   8.574
  305   HH22  ARG  46          2HH2      ARG  46   1.081   3.715  10.207
  306    H    ILE  47           H        ILE  47   8.085   6.965   7.268
  307    HA   ILE  47           HA       ILE  47  10.822   6.845   6.267
  308    HB   ILE  47           HB       ILE  47   9.786   8.892   7.306
  309   HG12  ILE  47          2HG1      ILE  47  11.843   9.095   9.027
  310   HG13  ILE  47          1HG1      ILE  47  12.366   7.655   8.151
  311   HG21  ILE  47          1HG2      ILE  47   9.812   8.889   9.851
  312   HG22  ILE  47          2HG2      ILE  47   9.960   7.134   9.766
  313   HG23  ILE  47          3HG2      ILE  47   8.530   7.930   9.111
  314   HD11  ILE  47          3HD1      ILE  47  12.975   8.894   6.376
  315   HD12  ILE  47          1HD1      ILE  47  12.608  10.343   7.314
  316   HD13  ILE  47          2HD1      ILE  47  11.370   9.621   6.287
  317    H    ALA  48           H        ALA  48  12.582   5.810   7.281
  318    HA   ALA  48           HA       ALA  48  11.970   3.409   8.760
  319    HB1  ALA  48           HB1      ALA  48  14.336   4.681   7.600
  320    HB2  ALA  48           HB2      ALA  48  13.967   2.968   7.796
  321    HB3  ALA  48           HB3      ALA  48  14.684   3.874   9.129
  322    H    ARG  49           H        ARG  49  12.430   2.942  10.965
  323    HA   ARG  49           HA       ARG  49  12.237   5.279  12.745
  324    HB2  ARG  49           HB2      ARG  49  12.445   2.360  13.528
  325    HB3  ARG  49           HB1      ARG  49  11.800   3.688  14.493
  326    HG2  ARG  49           HG2      ARG  49  10.538   3.249  11.835
  327    HG3  ARG  49           HG1      ARG  49  10.218   2.031  13.070
  328    HD2  ARG  49           HD2      ARG  49   9.125   3.530  14.465
  329    HD3  ARG  49           HD1      ARG  49   9.987   4.924  13.815
  330    HE   ARG  49           HE       ARG  49   8.249   3.683  11.841
  331   HH11  ARG  49          1HH2      ARG  49   7.586   5.011  14.846
  332   HH12  ARG  49          2HH2      ARG  49   6.587   6.296  14.257
  333   HH21  ARG  49          1HH1      ARG  49   7.321   5.696  10.922
  334   HH22  ARG  49          2HH1      ARG  49   6.436   6.685  12.035
  335    H    GLY  50           H        GLY  50  14.462   6.021  12.082
  336    HA2  GLY  50           HA2      GLY  50  16.409   6.029  13.891
  337    HA3  GLY  50           HA1      GLY  50  16.667   4.410  13.239
  338    H    ASP  51           H        ASP  51  17.953   4.251  11.448
  339    HA   ASP  51           HA       ASP  51  18.121   6.470   9.526
  340    HB2  ASP  51           HB2      ASP  51  20.132   6.021  11.612
  341    HB3  ASP  51           HB1      ASP  51  20.814   6.024   9.985
  342    H    TRP  52           H        TRP  52  17.198   3.837   9.179
  343    HA   TRP  52           HA       TRP  52  19.381   2.705   7.477
  344    HB2  TRP  52           HB2      TRP  52  18.090   0.469   7.966
  345    HB3  TRP  52           HB1      TRP  52  19.235   1.089   9.155
  346    HD1  TRP  52           HD       TRP  52  15.500   1.802   8.400
  347    HE1  TRP  52           HE1      TRP  52  14.213   1.772  10.634
  348    HE3  TRP  52           HE3      TRP  52  19.336   0.777  11.603
  349    HZ2  TRP  52           HZ2      TRP  52  14.747   1.372  13.417
  350    HZ3  TRP  52           HZ3      TRP  52  18.924   0.581  14.038
  351    HH2  TRP  52           HH       TRP  52  16.637   0.876  14.949
  352    H    ASN  53           H        ASN  53  17.943   0.782   6.136
  353    HA   ASN  53           HA       ASN  53  16.704   2.125   4.041
  354    HB2  ASN  53           HB2      ASN  53  16.138  -0.647   5.124
  355    HB3  ASN  53           HB1      ASN  53  15.492  -0.052   3.594
  356   HD21  ASN  53          1HD2      ASN  53  18.484  -0.986   5.264
  357   HD22  ASN  53          2HD2      ASN  53  19.445  -1.061   3.867
  358    H    ASP  54           H        ASP  54  14.697   3.009   3.687
  359    HA   ASP  54           HA       ASP  54  12.888   3.201   6.015
  360    HB2  ASP  54           HB2      ASP  54  12.993   4.580   3.324
  361    HB3  ASP  54           HB1      ASP  54  11.644   4.793   4.440
  362    H    ASP  55           H        ASP  55  10.442   3.085   5.398
  363    HA   ASP  55           HA       ASP  55   9.887   0.419   4.475
  364    HB2  ASP  55           HB2      ASP  55   8.189   2.823   5.120
  365    HB3  ASP  55           HB1      ASP  55   7.462   1.384   4.406
  366    H    ARG  56           H        ARG  56   9.280  -0.301   2.444
  367    HA   ARG  56           HA       ARG  56   9.014   1.772   0.301
  368    HB2  ARG  56           HB2      ARG  56  10.529  -0.850   0.210
  369    HB3  ARG  56           HB1      ARG  56  10.180   0.139  -1.206
  370    HG2  ARG  56           HG2      ARG  56  11.446   1.490   1.135
  371    HG3  ARG  56           HG1      ARG  56  12.459   0.420   0.164
  372    HD2  ARG  56           HD2      ARG  56  11.829   1.660  -1.872
  373    HD3  ARG  56           HD1      ARG  56  10.808   2.728  -0.908
  374    HE   ARG  56           HE       ARG  56  12.841   3.623   0.133
  375   HH11  ARG  56          1HH1      ARG  56  13.031   2.927  -3.064
  376   HH12  ARG  56          2HH1      ARG  56  14.752   2.749  -3.142
  377   HH21  ARG  56          1HH2      ARG  56  15.176   2.747   0.299
  378   HH22  ARG  56          2HH2      ARG  56  15.966   2.646  -1.240
  379    H    CYS  57           H        CYS  57   7.166   1.553  -0.862
  380    HA   CYS  57           HA       CYS  57   5.211  -0.432  -0.266
  381    HB2  CYS  57           HB2      CYS  57   5.579   1.577  -2.453
  382    HB3  CYS  57           HB1      CYS  57   4.347   0.335  -2.650
  383    H    THR  58           H        THR  58   4.492  -2.211  -1.591
  384    HA   THR  58           HA       THR  58   6.695  -3.698  -2.797
  385    HB   THR  58           HB       THR  58   4.260  -5.026  -3.308
  386    HG1  THR  58           HG1      THR  58   3.139  -3.737  -1.942
  387   HG21  THR  58          3HG2      THR  58   6.717  -5.439  -1.972
  388   HG22  THR  58          1HG2      THR  58   5.496  -6.649  -2.366
  389   HG23  THR  58          2HG2      THR  58   5.449  -5.827  -0.807
  390    H    GLY  59           H        GLY  59   4.301  -1.530  -3.909
  391    HA2  GLY  59           HA2      GLY  59   4.183  -0.675  -6.139
  392    HA3  GLY  59           HA1      GLY  59   5.117  -2.063  -6.697
  393    H    GLN  60           H        GLN  60   3.579  -4.134  -5.569
  394    HA   GLN  60           HA       GLN  60   1.151  -3.961  -7.277
  395    HB2  GLN  60           HB2      GLN  60   2.830  -6.207  -6.207
  396    HB3  GLN  60           HB1      GLN  60   1.143  -6.521  -6.613
  397    HG2  GLN  60           HG2      GLN  60   1.567  -6.449  -8.831
  398    HG3  GLN  60           HG1      GLN  60   2.503  -4.962  -8.676
  399   HE21  GLN  60          1HE2      GLN  60   3.213  -8.046  -7.006
  400   HE22  GLN  60          2HE2      GLN  60   4.704  -8.303  -7.774
  401    H    SER  61           H        SER  61   1.840  -3.152  -4.239
  402    HA   SER  61           HA       SER  61  -0.792  -4.155  -3.227
  403    HB2  SER  61           HB2      SER  61   1.384  -3.634  -1.262
  404    HB3  SER  61           HB1      SER  61   0.100  -4.839  -1.222
  405    HG   SER  61           HG       SER  61   1.951  -5.943  -1.658
  406    H    ALA  62           H        ALA  62  -2.111  -2.458  -2.778
  407    HA   ALA  62           HA       ALA  62  -1.253   0.263  -2.897
  408    HB1  ALA  62           HB1      ALA  62  -3.582   0.296  -1.374
  409    HB2  ALA  62           HB2      ALA  62  -3.739  -1.176  -2.333
  410    HB3  ALA  62           HB3      ALA  62  -3.502   0.377  -3.135
  411    H    ASP  63           H        ASP  63  -1.828  -1.920  -0.149
  412    HA   ASP  63           HA       ASP  63  -1.163   0.148   1.809
  413    HB2  ASP  63           HB2      ASP  63  -1.859  -2.762   1.893
  414    HB3  ASP  63           HB1      ASP  63  -1.016  -2.067   3.278
  415    H    CYS  64           H        CYS  64   0.862   0.583   2.596
  416    HA   CYS  64           HA       CYS  64   3.157  -0.649   1.326
  417    HB2  CYS  64           HB2      CYS  64   3.423   1.633   1.923
  418    HB3  CYS  64           HB1      CYS  64   2.840   1.363   3.561
  419    HA   PRO  65           HA       PRO  65   3.455  -3.998   4.171
  420    HB2  PRO  65           HB2      PRO  65   5.640  -5.092   2.940
  421    HB3  PRO  65           HB1      PRO  65   3.994  -5.299   2.342
  422    HG2  PRO  65           HG2      PRO  65   6.207  -3.630   1.267
  423    HG3  PRO  65           HG1      PRO  65   4.793  -4.294   0.430
  424    HD2  PRO  65           HD2      PRO  65   5.118  -1.620   1.311
  425    HD3  PRO  65           HD1      PRO  65   3.615  -2.363   0.726
  426    H    ARG  66           H        ARG  66   5.485  -5.013   5.375
  427    HA   ARG  66           HA       ARG  66   6.996  -2.740   6.532
  428    HB2  ARG  66           HB2      ARG  66   6.220  -5.468   7.424
  429    HB3  ARG  66           HB1      ARG  66   7.780  -4.877   7.999
  430    HG2  ARG  66           HG2      ARG  66   5.960  -2.717   8.242
  431    HG3  ARG  66           HG1      ARG  66   5.145  -4.139   8.892
  432    HD2  ARG  66           HD2      ARG  66   7.853  -4.203   9.790
  433    HD3  ARG  66           HD1      ARG  66   7.222  -2.587  10.100
  434    HE   ARG  66           HE       ARG  66   5.330  -4.605  10.929
  435   HH11  ARG  66          1HH1      ARG  66   8.482  -3.488  11.695
  436   HH12  ARG  66          2HH1      ARG  66   8.229  -3.516  13.408
  437   HH21  ARG  66          1HH2      ARG  66   4.895  -4.441  13.167
  438   HH22  ARG  66          2HH2      ARG  66   6.198  -4.056  14.241
  439    H    ASN  67           H        ASN  67   8.939  -2.302   5.599
  440    HA   ASN  67           HA       ASN  67  10.526  -4.619   4.562
  441    HB2  ASN  67           HB2      ASN  67   9.722  -2.154   3.294
  442    HB3  ASN  67           HB1      ASN  67  11.483  -2.231   3.389
  443   HD21  ASN  67          1HD2      ASN  67   8.640  -3.689   1.918
  444   HD22  ASN  67          2HD2      ASN  67   9.482  -4.763   0.907
  445    H    GLY  68           H        GLY  68  10.464  -3.118   7.263
  446    HA2  GLY  68           HA2      GLY  68  12.939  -1.665   7.470
  447    HA3  GLY  68           HA1      GLY  68  12.044  -2.354   8.825
  448    H    LEU  69           H        LEU  69  14.186  -2.989   9.682
  449    HA   LEU  69           HA       LEU  69  15.535  -5.179   8.196
  450    HB2  LEU  69           HB2      LEU  69  16.310  -3.752  10.761
  451    HB3  LEU  69           HB1      LEU  69  17.291  -4.957   9.925
  452    HG   LEU  69           HG       LEU  69  16.385  -2.812   8.150
  453   HD11  LEU  69          1HD1      LEU  69  17.084  -1.971  10.722
  454   HD12  LEU  69          2HD1      LEU  69  17.071  -0.974   9.266
  455   HD13  LEU  69          3HD1      LEU  69  18.562  -1.764   9.782
  456   HD21  LEU  69          3HD2      LEU  69  18.698  -2.900   7.436
  457   HD22  LEU  69          1HD2      LEU  69  18.159  -4.558   7.714
  458   HD23  LEU  69          2HD2      LEU  69  19.169  -3.747   8.911
  459    H    TYR  70           H        TYR  70  13.209  -4.724  10.634
  460    HA   TYR  70           HA       TYR  70  13.455  -7.600  11.383
  461    HB2  TYR  70           HB2      TYR  70  12.543  -6.616  13.716
  462    HB3  TYR  70           HB1      TYR  70  14.265  -6.806  13.385
  463    HD1  TYR  70           HD2      TYR  70  15.477  -4.796  12.272
  464    HD2  TYR  70           HD1      TYR  70  11.673  -4.497  14.242
  465    HE1  TYR  70           HE2      TYR  70  15.800  -2.350  12.523
  466    HE2  TYR  70           HE1      TYR  70  11.994  -2.051  14.494
  467    HH   TYR  70           HH       TYR  70  14.733  -0.535  14.369
  468    H    GLY  71           H        GLY  71  11.379  -8.455  12.273
  469    HA2  GLY  71           HA2      GLY  71   9.131  -7.468  10.703
  470    HA3  GLY  71           HA1      GLY  71   9.093  -8.834  11.820
  Start of MODEL   10
    1    H    GLY   1           HT1      GLY   1 -15.767  -6.580   8.221
    2    HA2  GLY   1           HA1      GLY   1 -15.106  -7.615   6.342
    3    HA3  GLY   1           HA2      GLY   1 -16.637  -6.959   5.764
    4    H    LYS   2           H        LYS   2 -14.876  -7.369   3.809
    5    HA   LYS   2           HA       LYS   2 -13.276  -4.913   3.388
    6    HB2  LYS   2           HB2      LYS   2 -13.060  -7.625   2.549
    7    HB3  LYS   2           HB1      LYS   2 -13.289  -6.646   1.100
    8    HG2  LYS   2           HG2      LYS   2 -11.513  -5.098   2.455
    9    HG3  LYS   2           HG1      LYS   2 -11.020  -6.701   3.002
   10    HD2  LYS   2           HD2      LYS   2 -11.262  -7.264   0.407
   11    HD3  LYS   2           HD1      LYS   2 -10.953  -5.534   0.252
   12    HE2  LYS   2           HE2      LYS   2  -8.760  -6.056   0.431
   13    HE3  LYS   2           HE1      LYS   2  -9.088  -6.343   2.140
   14    HZ1  LYS   2           HZ1      LYS   2  -9.264  -8.604   1.818
   15    HZ2  LYS   2           HZ2      LYS   2  -8.021  -8.200   0.733
   16    HZ3  LYS   2           HZ3      LYS   2  -9.599  -8.464   0.161
   17    H    GLU   3           H        GLU   3 -15.988  -4.343   3.472
   18    HA   GLU   3           HA       GLU   3 -16.910  -4.213   0.655
   19    HB2  GLU   3           HB2      GLU   3 -18.229  -3.513   3.292
   20    HB3  GLU   3           HB1      GLU   3 -18.980  -3.207   1.725
   21    HG2  GLU   3           HG2      GLU   3 -18.100  -5.906   2.792
   22    HG3  GLU   3           HG1      GLU   3 -19.765  -5.351   2.605
   23    H    CYS   4           H        CYS   4 -15.258  -2.324   2.964
   24    HA   CYS   4           HA       CYS   4 -15.750   0.130   1.315
   25    HB2  CYS   4           HB2      CYS   4 -15.251  -0.174   4.289
   26    HB3  CYS   4           HB1      CYS   4 -15.094   1.369   3.458
   27    H    ASP   5           H        ASP   5 -13.977  -0.243  -0.057
   28    HA   ASP   5           HA       ASP   5 -11.343  -0.930   0.924
   29    HB2  ASP   5           HB2      ASP   5 -11.958  -1.424  -1.386
   30    HB3  ASP   5           HB1      ASP   5 -12.255   0.285  -1.704
   31    H    CYS   6           H        CYS   6 -13.127   2.030   0.603
   32    HA   CYS   6           HA       CYS   6 -10.697   3.521   1.499
   33    HB2  CYS   6           HB2      CYS   6 -11.331   5.411   0.131
   34    HB3  CYS   6           HB1      CYS   6 -11.296   3.986  -0.908
   35    H    SER   7           H        SER   7 -11.451   5.725   2.491
   36    HA   SER   7           HA       SER   7 -13.949   5.235   4.062
   37    HB2  SER   7           HB2      SER   7 -12.500   5.128   5.814
   38    HB3  SER   7           HB1      SER   7 -11.204   5.906   4.911
   39    HG   SER   7           HG       SER   7 -13.318   7.038   6.378
   40    H    SER   8           H        SER   8 -12.389   7.262   1.862
   41    HA   SER   8           HA       SER   8 -13.836   9.685   2.782
   42    HB2  SER   8           HB2      SER   8 -11.364   9.278   1.502
   43    HB3  SER   8           HB1      SER   8 -12.405  10.007   0.285
   44    HG   SER   8           HG       SER   8 -12.431  11.037   2.889
   45    HA   PRO   9           HA       PRO   9 -16.978   8.648  -0.212
   46    HB2  PRO   9           HB2      PRO   9 -18.605  10.783   0.377
   47    HB3  PRO   9           HB1      PRO   9 -18.527   9.313   1.365
   48    HG2  PRO   9           HG2      PRO   9 -17.401  12.014   1.929
   49    HG3  PRO   9           HG1      PRO   9 -17.887  10.742   3.062
   50    HD2  PRO   9           HD2      PRO   9 -15.229  11.357   2.284
   51    HD3  PRO   9           HD1      PRO   9 -15.754   9.911   3.172
   52    H    GLU  10           H        GLU  10 -15.462  11.833   0.107
   53    HA   GLU  10           HA       GLU  10 -16.402  12.821  -2.460
   54    HB2  GLU  10           HB2      GLU  10 -15.478  14.146  -0.389
   55    HB3  GLU  10           HB1      GLU  10 -13.904  13.825  -1.117
   56    HG2  GLU  10           HG2      GLU  10 -15.586  14.667  -3.227
   57    HG3  GLU  10           HG1      GLU  10 -15.882  15.778  -1.889
   58    H    ASN  11           H        ASN  11 -14.007  10.602  -1.490
   59    HA   ASN  11           HA       ASN  11 -12.101  11.052  -3.619
   60    HB2  ASN  11           HB2      ASN  11 -11.659   9.792  -1.464
   61    HB3  ASN  11           HB1      ASN  11 -12.614   8.466  -2.128
   62   HD21  ASN  11          1HD2      ASN  11  -9.876   8.051  -1.549
   63   HD22  ASN  11          2HD2      ASN  11  -9.019   7.875  -3.004
   64    HA   PRO  12           HA       PRO  12 -14.763   9.172  -6.688
   65    HB2  PRO  12           HB2      PRO  12 -13.117   9.739  -8.814
   66    HB3  PRO  12           HB1      PRO  12 -14.213  10.923  -8.082
   67    HG2  PRO  12           HG2      PRO  12 -11.249  10.719  -7.848
   68    HG3  PRO  12           HG1      PRO  12 -12.292  12.140  -7.683
   69    HD2  PRO  12           HD2      PRO  12 -11.139  10.662  -5.555
   70    HD3  PRO  12           HD1      PRO  12 -12.416  11.889  -5.409
   71    H    CYS  13           H        CYS  13 -11.525   8.333  -5.835
   72    HA   CYS  13           HA       CYS  13 -10.941   6.272  -7.696
   73    HB2  CYS  13           HB2      CYS  13 -10.256   6.367  -4.739
   74    HB3  CYS  13           HB1      CYS  13  -9.454   5.368  -5.946
   75    H    CYS  14           H        CYS  14 -13.007   6.290  -4.832
   76    HA   CYS  14           HA       CYS  14 -13.805   3.487  -5.514
   77    HB2  CYS  14           HB2      CYS  14 -14.365   3.294  -3.043
   78    HB3  CYS  14           HB1      CYS  14 -12.644   3.411  -3.413
   79    H    ASP  15           H        ASP  15 -16.045   2.985  -4.631
   80    HA   ASP  15           HA       ASP  15 -17.893   5.137  -5.439
   81    HB2  ASP  15           HB2      ASP  15 -18.152   2.742  -6.213
   82    HB3  ASP  15           HB1      ASP  15 -18.516   2.309  -4.540
   83    H    ALA  16           H        ALA  16 -19.136   6.268  -3.978
   84    HA   ALA  16           HA       ALA  16 -18.517   6.101  -1.162
   85    HB1  ALA  16           HB1      ALA  16 -19.178   8.245  -1.791
   86    HB2  ALA  16           HB2      ALA  16 -20.670   7.626  -1.083
   87    HB3  ALA  16           HB3      ALA  16 -20.469   7.651  -2.835
   88    H    ALA  17           H        ALA  17 -21.048   4.763  -3.206
   89    HA   ALA  17           HA       ALA  17 -22.799   3.986  -1.036
   90    HB1  ALA  17           HB1      ALA  17 -22.620   2.609  -3.721
   91    HB2  ALA  17           HB2      ALA  17 -23.392   4.183  -3.532
   92    HB3  ALA  17           HB3      ALA  17 -24.030   2.779  -2.676
   93    H    THR  18           H        THR  18 -20.420   2.172  -3.004
   94    HA   THR  18           HA       THR  18 -20.540  -0.006  -0.979
   95    HB   THR  18           HB       THR  18 -19.260  -1.316  -2.681
   96    HG1  THR  18           HG1      THR  18 -18.684  -0.405  -4.528
   97   HG21  THR  18          3HG2      THR  18 -21.135  -1.777  -4.017
   98   HG22  THR  18          1HG2      THR  18 -21.660  -0.092  -4.024
   99   HG23  THR  18          2HG2      THR  18 -21.846  -1.068  -2.567
  100    H    CYS  19           H        CYS  19 -18.982   2.753  -1.128
  101    HA   CYS  19           HA       CYS  19 -16.771   3.512  -0.700
  102    HB2  CYS  19           HB2      CYS  19 -15.900   2.135   1.404
  103    HB3  CYS  19           HB1      CYS  19 -17.207   3.291   1.549
  104    H    LYS  20           H        LYS  20 -16.701   1.604  -2.814
  105    HA   LYS  20           HA       LYS  20 -14.038   0.396  -2.209
  106    HB2  LYS  20           HB2      LYS  20 -16.359  -0.991  -3.569
  107    HB3  LYS  20           HB1      LYS  20 -14.708  -1.615  -3.548
  108    HG2  LYS  20           HG2      LYS  20 -15.626  -0.841  -0.885
  109    HG3  LYS  20           HG1      LYS  20 -16.648  -2.084  -1.607
  110    HD2  LYS  20           HD2      LYS  20 -13.664  -2.359  -1.770
  111    HD3  LYS  20           HD1      LYS  20 -14.492  -2.786  -0.273
  112    HE2  LYS  20           HE2      LYS  20 -14.387  -4.795  -1.570
  113    HE3  LYS  20           HE1      LYS  20 -16.050  -4.220  -1.688
  114    HZ1  LYS  20           HZ1      LYS  20 -14.839  -4.906  -3.821
  115    HZ2  LYS  20           HZ2      LYS  20 -14.031  -3.418  -3.682
  116    HZ3  LYS  20           HZ3      LYS  20 -15.723  -3.457  -3.831
  117    H    LEU  21           H        LEU  21 -13.059  -0.423  -4.438
  118    HA   LEU  21           HA       LEU  21 -12.689   1.879  -6.064
  119    HB2  LEU  21           HB2      LEU  21 -12.082  -1.047  -6.449
  120    HB3  LEU  21           HB1      LEU  21 -11.761   0.117  -7.736
  121    HG   LEU  21           HG       LEU  21 -10.732   1.345  -5.456
  122   HD11  LEU  21          1HD1      LEU  21 -11.039  -0.992  -4.411
  123   HD12  LEU  21          2HD1      LEU  21  -9.439  -0.261  -4.281
  124   HD13  LEU  21          3HD1      LEU  21  -9.742  -1.509  -5.489
  125   HD21  LEU  21          3HD2      LEU  21  -9.912   0.649  -7.998
  126   HD22  LEU  21          1HD2      LEU  21  -8.813  -0.284  -6.982
  127   HD23  LEU  21          2HD2      LEU  21  -8.905   1.469  -6.804
  128    H    ARG  22           H        ARG  22 -14.229   2.793  -7.324
  129    HA   ARG  22           HA       ARG  22 -16.380   1.117  -8.449
  130    HB2  ARG  22           HB2      ARG  22 -16.351   3.695  -7.510
  131    HB3  ARG  22           HB1      ARG  22 -16.276   3.950  -9.253
  132    HG2  ARG  22           HG2      ARG  22 -18.281   2.095  -7.953
  133    HG3  ARG  22           HG1      ARG  22 -18.621   3.792  -8.299
  134    HD2  ARG  22           HD2      ARG  22 -17.843   3.247 -10.708
  135    HD3  ARG  22           HD1      ARG  22 -18.056   1.559 -10.243
  136    HE   ARG  22           HE       ARG  22 -20.406   3.084  -9.575
  137   HH11  ARG  22          1HH2      ARG  22 -19.380   3.642 -12.506
  138   HH12  ARG  22          2HH2      ARG  22 -20.426   2.568 -13.375
  139   HH21  ARG  22          1HH1      ARG  22 -21.444   0.844 -10.546
  140   HH22  ARG  22          2HH1      ARG  22 -21.594   0.984 -12.265
  141    HA   PRO  23           HA       PRO  23 -14.354   2.671 -12.467
  142    HB2  PRO  23           HB2      PRO  23 -12.068   4.181 -12.265
  143    HB3  PRO  23           HB1      PRO  23 -13.699   4.874 -12.257
  144    HG2  PRO  23           HG2      PRO  23 -11.791   4.563 -10.002
  145    HG3  PRO  23           HG1      PRO  23 -13.148   5.688 -10.174
  146    HD2  PRO  23           HD2      PRO  23 -13.106   3.270  -8.653
  147    HD3  PRO  23           HD1      PRO  23 -14.513   4.307  -8.966
  148    H    GLY  24           H        GLY  24 -12.349   2.006 -13.767
  149    HA2  GLY  24           HA2      GLY  24 -11.265  -0.450 -12.738
  150    HA3  GLY  24           HA1      GLY  24 -10.728   0.362 -14.210
  151    H    ALA  25           H        ALA  25 -10.519   0.704 -10.654
  152    HA   ALA  25           HA       ALA  25  -7.777   1.834 -11.048
  153    HB1  ALA  25           HB1      ALA  25  -9.994   2.472  -9.186
  154    HB2  ALA  25           HB2      ALA  25  -8.726   3.518  -9.826
  155    HB3  ALA  25           HB3      ALA  25  -8.384   2.446  -8.468
  156    H    GLN  26           H        GLN  26  -6.273   1.288  -9.165
  157    HA   GLN  26           HA       GLN  26  -6.643  -1.592  -8.478
  158    HB2  GLN  26           HB2      GLN  26  -4.378   0.015  -9.328
  159    HB3  GLN  26           HB1      GLN  26  -4.031  -0.808  -7.806
  160    HG2  GLN  26           HG2      GLN  26  -3.524  -2.575  -9.152
  161    HG3  GLN  26           HG1      GLN  26  -5.273  -2.800  -9.197
  162   HE21  GLN  26          1HE2      GLN  26  -4.918  -3.731 -11.426
  163   HE22  GLN  26          2HE2      GLN  26  -4.724  -2.673 -12.738
  164    H    CYS  27           H        CYS  27  -7.036   1.416  -7.120
  165    HA   CYS  27           HA       CYS  27  -7.283   0.361  -4.441
  166    HB2  CYS  27           HB2      CYS  27  -5.504   1.883  -3.466
  167    HB3  CYS  27           HB1      CYS  27  -4.892   0.490  -4.354
  168    H    GLY  28           H        GLY  28  -8.009   2.064  -2.930
  169    HA2  GLY  28           HA2      GLY  28  -9.217   4.361  -4.400
  170    HA3  GLY  28           HA1      GLY  28  -9.895   3.651  -2.940
  171    H    GLU  29           H        GLU  29  -7.665   3.462  -1.345
  172    HA   GLU  29           HA       GLU  29  -6.375   6.112  -1.320
  173    HB2  GLU  29           HB2      GLU  29  -7.113   6.532   1.004
  174    HB3  GLU  29           HB1      GLU  29  -8.462   6.502  -0.119
  175    HG2  GLU  29           HG2      GLU  29  -9.285   4.515   0.697
  176    HG3  GLU  29           HG1      GLU  29  -7.691   3.927   1.173
  177    H    GLY  30           H        GLY  30  -4.529   6.159   0.152
  178    HA2  GLY  30           HA2      GLY  30  -3.648   4.297   1.966
  179    HA3  GLY  30           HA1      GLY  30  -3.287   3.524   0.422
  180    H    LEU  31           H        LEU  31  -1.059   3.932   1.692
  181    HA   LEU  31           HA       LEU  31   0.000   6.646   1.296
  182    HB2  LEU  31           HB2      LEU  31   1.765   4.308   1.916
  183    HB3  LEU  31           HB1      LEU  31   1.833   5.954   2.539
  184    HG   LEU  31           HG       LEU  31  -0.133   3.787   3.298
  185   HD11  LEU  31          1HD1      LEU  31   0.853   4.763   5.606
  186   HD12  LEU  31          2HD1      LEU  31   2.225   5.103   4.549
  187   HD13  LEU  31          3HD1      LEU  31   1.633   3.450   4.724
  188   HD21  LEU  31          3HD2      LEU  31  -1.541   5.636   3.331
  189   HD22  LEU  31          1HD2      LEU  31  -0.218   6.765   3.618
  190   HD23  LEU  31          2HD2      LEU  31  -0.823   5.763   4.936
  191    H    CYS  32           H        CYS  32   0.136   3.502  -0.278
  192    HA   CYS  32           HA       CYS  32   2.079   4.578  -2.259
  193    HB2  CYS  32           HB2      CYS  32   2.567   2.364  -1.262
  194    HB3  CYS  32           HB1      CYS  32   1.035   1.756  -1.889
  195    H    CYS  33           H        CYS  33  -1.189   4.592  -1.906
  196    HA   CYS  33           HA       CYS  33  -1.792   3.806  -4.693
  197    HB2  CYS  33           HB2      CYS  33  -3.386   3.145  -2.940
  198    HB3  CYS  33           HB1      CYS  33  -3.631   4.837  -2.513
  199    H    GLU  34           H        GLU  34  -1.548   5.279  -6.266
  200    HA   GLU  34           HA       GLU  34  -2.135   8.143  -5.631
  201    HB2  GLU  34           HB2      GLU  34   0.332   7.631  -5.923
  202    HB3  GLU  34           HB1      GLU  34  -0.031   7.174  -7.587
  203    HG2  GLU  34           HG2      GLU  34   0.597   9.441  -7.764
  204    HG3  GLU  34           HG1      GLU  34  -1.166   9.500  -7.757
  205    H    GLN  35           H        GLN  35  -3.677   8.998  -6.967
  206    HA   GLN  35           HA       GLN  35  -5.084   9.249  -8.838
  207    HB2  GLN  35           HB2      GLN  35  -2.649   8.517  -9.918
  208    HB3  GLN  35           HB1      GLN  35  -3.729   7.269 -10.539
  209    HG2  GLN  35           HG2      GLN  35  -5.198   8.911 -11.509
  210    HG3  GLN  35           HG1      GLN  35  -4.350  10.229 -10.696
  211   HE21  GLN  35          1HE2      GLN  35  -2.383  11.003 -11.642
  212   HE22  GLN  35          2HE2      GLN  35  -1.784  10.428 -13.122
  213    H    CYS  36           H        CYS  36  -5.272   7.051  -6.792
  214    HA   CYS  36           HA       CYS  36  -6.828   5.335  -6.381
  215    HB2  CYS  36           HB2      CYS  36  -7.688   5.414  -9.265
  216    HB3  CYS  36           HB1      CYS  36  -8.648   5.041  -7.829
  217    H    LYS  37           H        LYS  37  -4.149   5.173  -8.170
  218    HA   LYS  37           HA       LYS  37  -4.520   2.257  -8.736
  219    HB2  LYS  37           HB2      LYS  37  -3.414   4.436 -10.393
  220    HB3  LYS  37           HB1      LYS  37  -2.426   2.975 -10.345
  221    HG2  LYS  37           HG2      LYS  37  -3.947   1.761 -11.517
  222    HG3  LYS  37           HG1      LYS  37  -5.312   2.465 -10.650
  223    HD2  LYS  37           HD2      LYS  37  -4.669   4.629 -12.021
  224    HD3  LYS  37           HD1      LYS  37  -3.911   3.463 -13.106
  225    HE2  LYS  37           HE2      LYS  37  -6.021   3.427 -14.014
  226    HE3  LYS  37           HE1      LYS  37  -6.270   2.224 -12.750
  227    HZ1  LYS  37           HZ1      LYS  37  -6.988   4.094 -11.292
  228    HZ2  LYS  37           HZ2      LYS  37  -8.024   3.786 -12.602
  229    HZ3  LYS  37           HZ3      LYS  37  -6.955   5.106 -12.652
  230    H    PHE  38           H        PHE  38  -2.360   1.064  -8.694
  231    HA   PHE  38           HA       PHE  38  -1.004   1.708  -6.188
  232    HB2  PHE  38           HB2      PHE  38  -0.599  -0.467  -8.259
  233    HB3  PHE  38           HB1      PHE  38   0.378  -0.333  -6.797
  234    HD1  PHE  38           HD1      PHE  38  -1.671   0.600  -4.846
  235    HD2  PHE  38           HD2      PHE  38  -1.876  -2.424  -7.889
  236    HE1  PHE  38           HE1      PHE  38  -3.431  -0.579  -3.558
  237    HE2  PHE  38           HE2      PHE  38  -3.637  -3.602  -6.600
  238    HZ   PHE  38           HZ       PHE  38  -4.413  -2.679  -4.433
  239    H    SER  39           H        SER  39   0.814   2.942  -6.024
  240    HA   SER  39           HA       SER  39   1.994   4.226  -8.286
  241    HB2  SER  39           HB2      SER  39   3.263   3.772  -5.565
  242    HB3  SER  39           HB1      SER  39   3.704   5.011  -6.736
  243    HG   SER  39           HG       SER  39   2.329   6.007  -5.367
  244    H    ARG  40           H        ARG  40   4.742   3.202  -6.762
  245    HA   ARG  40           HA       ARG  40   5.026   0.800  -8.506
  246    HB2  ARG  40           HB2      ARG  40   6.646   3.303  -8.460
  247    HB3  ARG  40           HB1      ARG  40   7.525   1.784  -8.631
  248    HG2  ARG  40           HG2      ARG  40   5.160   1.823 -10.320
  249    HG3  ARG  40           HG1      ARG  40   6.221   3.187 -10.674
  250    HD2  ARG  40           HD2      ARG  40   8.115   1.357 -10.568
  251    HD3  ARG  40           HD1      ARG  40   6.781   0.248 -10.889
  252    HE   ARG  40           HE       ARG  40   6.373   1.487 -12.993
  253   HH11  ARG  40          1HH1      ARG  40   8.094   3.855 -11.841
  254   HH12  ARG  40          2HH1      ARG  40   9.440   3.781 -12.930
  255   HH21  ARG  40          1HH2      ARG  40   8.620   0.642 -14.151
  256   HH22  ARG  40          2HH2      ARG  40   9.737   1.963 -14.237
  257    H    ALA  41           H        ALA  41   6.619  -0.726  -7.710
  258    HA   ALA  41           HA       ALA  41   6.702  -0.908  -4.829
  259    HB1  ALA  41           HB1      ALA  41   7.418  -3.040  -5.204
  260    HB2  ALA  41           HB2      ALA  41   8.661  -2.520  -6.342
  261    HB3  ALA  41           HB3      ALA  41   6.993  -2.708  -6.883
  262    H    GLY  42           H        GLY  42   8.783  -1.069  -3.596
  263    HA2  GLY  42           HA2      GLY  42  10.876  -0.181  -2.974
  264    HA3  GLY  42           HA1      GLY  42  11.184   0.128  -4.685
  265    H    LYS  43           H        LYS  43   8.295   1.263  -3.072
  266    HA   LYS  43           HA       LYS  43   9.319   4.068  -3.437
  267    HB2  LYS  43           HB2      LYS  43   7.408   3.653  -4.842
  268    HB3  LYS  43           HB1      LYS  43   6.515   2.925  -3.511
  269    HG2  LYS  43           HG2      LYS  43   5.610   5.081  -3.590
  270    HG3  LYS  43           HG1      LYS  43   6.851   5.251  -2.354
  271    HD2  LYS  43           HD2      LYS  43   8.431   6.054  -4.136
  272    HD3  LYS  43           HD1      LYS  43   7.082   6.031  -5.274
  273    HE2  LYS  43           HE2      LYS  43   5.861   7.503  -3.510
  274    HE3  LYS  43           HE1      LYS  43   7.474   7.789  -2.859
  275    HZ1  LYS  43           HZ1      LYS  43   6.459   9.299  -4.737
  276    HZ2  LYS  43           HZ2      LYS  43   7.095   8.086  -5.743
  277    HZ3  LYS  43           HZ3      LYS  43   8.115   8.943  -4.688
  278    H    ILE  44           H        ILE  44   9.791   5.106  -1.538
  279    HA   ILE  44           HA       ILE  44   9.177   4.036   1.036
  280    HB   ILE  44           HB       ILE  44  10.965   5.636   0.873
  281   HG12  ILE  44          2HG1      ILE  44  10.170   7.453   2.454
  282   HG13  ILE  44          1HG1      ILE  44   8.542   6.795   2.282
  283   HG21  ILE  44          1HG2      ILE  44  10.134   8.100   0.338
  284   HG22  ILE  44          2HG2      ILE  44   8.871   7.235  -0.537
  285   HG23  ILE  44          3HG2      ILE  44  10.565   6.986  -0.959
  286   HD11  ILE  44          3HD1      ILE  44  10.580   4.762   2.876
  287   HD12  ILE  44          1HD1      ILE  44   8.998   5.017   3.611
  288   HD13  ILE  44          2HD1      ILE  44  10.383   5.964   4.152
  289    H    CYS  45           H        CYS  45   7.010   3.549   1.208
  290    HA   CYS  45           HA       CYS  45   5.116   5.853   1.089
  291    HB2  CYS  45           HB2      CYS  45   3.433   3.761   1.085
  292    HB3  CYS  45           HB1      CYS  45   4.104   4.428  -0.399
  293    H    ARG  46           H        ARG  46   6.939   4.651   3.288
  294    HA   ARG  46           HA       ARG  46   4.983   5.068   5.402
  295    HB2  ARG  46           HB2      ARG  46   5.625   2.384   4.574
  296    HB3  ARG  46           HB1      ARG  46   6.191   2.653   6.223
  297    HG2  ARG  46           HG2      ARG  46   3.869   3.710   6.641
  298    HG3  ARG  46           HG1      ARG  46   3.387   2.921   5.140
  299    HD2  ARG  46           HD2      ARG  46   3.776   0.760   6.012
  300    HD3  ARG  46           HD1      ARG  46   4.759   1.378   7.338
  301    HE   ARG  46           HE       ARG  46   1.899   2.157   7.283
  302   HH11  ARG  46          1HH2      ARG  46   3.913   2.322   9.616
  303   HH12  ARG  46          2HH2      ARG  46   3.338   1.032  10.619
  304   HH21  ARG  46          1HH1      ARG  46   1.392  -0.394   8.128
  305   HH22  ARG  46          2HH1      ARG  46   1.911  -0.505   9.777
  306    H    ILE  47           H        ILE  47   5.995   6.140   7.001
  307    HA   ILE  47           HA       ILE  47   8.922   6.354   6.947
  308    HB   ILE  47           HB       ILE  47   7.401   8.317   7.377
  309   HG12  ILE  47          2HG1      ILE  47   8.832   8.447   9.849
  310   HG13  ILE  47          1HG1      ILE  47   9.822   7.552   8.694
  311   HG21  ILE  47          1HG2      ILE  47   7.095   7.229  10.167
  312   HG22  ILE  47          2HG2      ILE  47   5.922   6.814   8.918
  313   HG23  ILE  47          3HG2      ILE  47   6.171   8.501   9.369
  314   HD11  ILE  47          3HD1      ILE  47   8.829  10.377   8.544
  315   HD12  ILE  47          1HD1      ILE  47   9.107   9.488   7.046
  316   HD13  ILE  47          2HD1      ILE  47  10.432   9.737   8.184
  317    H    ALA  48           H        ALA  48  10.304   5.615   8.582
  318    HA   ALA  48           HA       ALA  48   9.452   3.252  10.009
  319    HB1  ALA  48           HB1      ALA  48  11.909   4.492  10.997
  320    HB2  ALA  48           HB2      ALA  48  11.886   4.348   9.238
  321    HB3  ALA  48           HB3      ALA  48  11.674   2.915  10.244
  322    H    ARG  49           H        ARG  49   8.848   3.038  12.146
  323    HA   ARG  49           HA       ARG  49   7.950   5.398  13.561
  324    HB2  ARG  49           HB2      ARG  49   8.324   2.623  14.716
  325    HB3  ARG  49           HB1      ARG  49   7.209   3.876  15.264
  326    HG2  ARG  49           HG2      ARG  49   6.779   3.341  12.459
  327    HG3  ARG  49           HG1      ARG  49   6.689   1.837  13.379
  328    HD2  ARG  49           HD2      ARG  49   4.506   3.163  13.169
  329    HD3  ARG  49           HD1      ARG  49   4.977   2.690  14.802
  330    HE   ARG  49           HE       ARG  49   5.960   5.333  14.051
  331   HH11  ARG  49          1HH2      ARG  49   2.927   3.897  14.509
  332   HH12  ARG  49          2HH2      ARG  49   2.398   5.019  15.718
  333   HH21  ARG  49          1HH1      ARG  49   5.466   6.618  15.956
  334   HH22  ARG  49          2HH1      ARG  49   3.836   6.558  16.538
  335    H    GLY  50           H        GLY  50  10.222   6.391  13.434
  336    HA2  GLY  50           HA2      GLY  50  11.446   6.952  15.731
  337    HA3  GLY  50           HA1      GLY  50  12.078   5.325  15.486
  338    H    ASP  51           H        ASP  51  13.750   5.046  14.033
  339    HA   ASP  51           HA       ASP  51  14.333   6.836  11.867
  340    HB2  ASP  51           HB2      ASP  51  15.235   7.686  14.459
  341    HB3  ASP  51           HB1      ASP  51  16.638   7.272  13.472
  342    H    TRP  52           H        TRP  52  14.222   4.192  11.692
  343    HA   TRP  52           HA       TRP  52  17.086   3.354  11.621
  344    HB2  TRP  52           HB2      TRP  52  15.889   0.958  11.846
  345    HB3  TRP  52           HB1      TRP  52  16.406   1.891  13.245
  346    HD1  TRP  52           HD       TRP  52  13.227   2.007  11.005
  347    HE1  TRP  52           HE1      TRP  52  11.176   2.094  12.559
  348    HE3  TRP  52           HE3      TRP  52  15.553   1.895  15.553
  349    HZ2  TRP  52           HZ2      TRP  52  10.594   2.116  15.358
  350    HZ3  TRP  52           HZ3      TRP  52  14.225   1.959  17.643
  351    HH2  TRP  52           HH       TRP  52  11.752   2.071  17.553
  352    H    ASN  53           H        ASN  53  14.720   1.122  10.464
  353    HA   ASN  53           HA       ASN  53  15.724   1.541   7.727
  354    HB2  ASN  53           HB2      ASN  53  14.036  -0.568   9.067
  355    HB3  ASN  53           HB1      ASN  53  14.172  -0.495   7.310
  356   HD21  ASN  53          1HD2      ASN  53  15.859  -1.354  10.254
  357   HD22  ASN  53          2HD2      ASN  53  17.286  -1.895   9.511
  358    H    ASP  54           H        ASP  54  14.035   1.454   5.917
  359    HA   ASP  54           HA       ASP  54  11.714   3.188   6.675
  360    HB2  ASP  54           HB2      ASP  54  11.913   3.599   4.020
  361    HB3  ASP  54           HB1      ASP  54  12.814   4.558   5.193
  362    H    ASP  55           H        ASP  55  10.155   2.957   4.442
  363    HA   ASP  55           HA       ASP  55   9.716   0.026   4.078
  364    HB2  ASP  55           HB2      ASP  55   7.413   1.925   4.502
  365    HB3  ASP  55           HB1      ASP  55   7.428   0.166   4.639
  366    H    ARG  56           H        ARG  56   9.698  -0.365   1.922
  367    HA   ARG  56           HA       ARG  56   8.985   1.872   0.085
  368    HB2  ARG  56           HB2      ARG  56  10.237  -0.746  -0.725
  369    HB3  ARG  56           HB1      ARG  56  10.298   0.808  -1.551
  370    HG2  ARG  56           HG2      ARG  56  11.345   1.151   1.089
  371    HG3  ARG  56           HG1      ARG  56  12.151  -0.227   0.339
  372    HD2  ARG  56           HD2      ARG  56  12.218   1.449  -1.749
  373    HD3  ARG  56           HD1      ARG  56  12.178   2.647  -0.457
  374    HE   ARG  56           HE       ARG  56  14.528   1.487  -1.169
  375   HH11  ARG  56          1HH2      ARG  56  12.872   2.125   1.692
  376   HH12  ARG  56          2HH2      ARG  56  13.964   1.259   2.719
  377   HH21  ARG  56          1HH1      ARG  56  15.778  -0.094   0.093
  378   HH22  ARG  56          2HH1      ARG  56  15.613   0.002   1.813
  379    H    CYS  57           H        CYS  57   7.368   1.657  -1.431
  380    HA   CYS  57           HA       CYS  57   5.136   0.022  -0.924
  381    HB2  CYS  57           HB2      CYS  57   5.240   2.044  -2.472
  382    HB3  CYS  57           HB1      CYS  57   5.979   0.987  -3.665
  383    H    THR  58           H        THR  58   4.552  -2.020  -1.643
  384    HA   THR  58           HA       THR  58   6.707  -3.785  -2.493
  385    HB   THR  58           HB       THR  58   4.337  -5.218  -2.694
  386    HG1  THR  58           HG1      THR  58   3.395  -4.496  -0.603
  387   HG21  THR  58          3HG2      THR  58   6.508  -4.833  -0.713
  388   HG22  THR  58          1HG2      THR  58   5.923  -6.316  -1.469
  389   HG23  THR  58          2HG2      THR  58   5.047  -5.615  -0.109
  390    H    GLY  59           H        GLY  59   4.449  -1.820  -4.099
  391    HA2  GLY  59           HA2      GLY  59   4.451  -1.499  -6.482
  392    HA3  GLY  59           HA1      GLY  59   5.166  -3.099  -6.671
  393    H    GLN  60           H        GLN  60   3.005  -3.957  -4.578
  394    HA   GLN  60           HA       GLN  60   0.730  -4.074  -6.515
  395    HB2  GLN  60           HB2      GLN  60   1.478  -6.330  -4.648
  396    HB3  GLN  60           HB1      GLN  60   0.375  -6.378  -6.024
  397    HG2  GLN  60           HG2      GLN  60   2.415  -5.745  -7.461
  398    HG3  GLN  60           HG1      GLN  60   3.387  -6.171  -6.052
  399   HE21  GLN  60          1HE2      GLN  60   3.478  -8.430  -5.417
  400   HE22  GLN  60          2HE2      GLN  60   2.879  -9.665  -6.416
  401    H    SER  61           H        SER  61   1.757  -3.164  -3.436
  402    HA   SER  61           HA       SER  61  -1.042  -3.401  -2.383
  403    HB2  SER  61           HB2      SER  61   0.496  -4.635  -0.982
  404    HB3  SER  61           HB1      SER  61   1.611  -3.274  -0.924
  405    HG   SER  61           HG       SER  61  -0.194  -3.751   0.804
  406    H    ALA  62           H        ALA  62  -2.065  -1.534  -1.688
  407    HA   ALA  62           HA       ALA  62  -0.867   1.018  -2.485
  408    HB1  ALA  62           HB1      ALA  62  -3.532   0.061  -1.608
  409    HB2  ALA  62           HB2      ALA  62  -3.112   1.247  -2.844
  410    HB3  ALA  62           HB3      ALA  62  -3.135   1.714  -1.144
  411    H    ASP  63           H        ASP  63  -1.823  -0.560   0.568
  412    HA   ASP  63           HA       ASP  63  -0.771   1.659   2.172
  413    HB2  ASP  63           HB2      ASP  63  -2.408  -0.642   2.635
  414    HB3  ASP  63           HB1      ASP  63  -1.005  -0.760   3.697
  415    H    CYS  64           H        CYS  64   1.404   1.923   2.371
  416    HA   CYS  64           HA       CYS  64   3.376   0.163   1.473
  417    HB2  CYS  64           HB2      CYS  64   3.432   2.636   2.557
  418    HB3  CYS  64           HB1      CYS  64   4.065   1.708   3.907
  419    HA   PRO  65           HA       PRO  65   3.120  -3.112   4.383
  420    HB2  PRO  65           HB2      PRO  65   5.189  -4.524   3.278
  421    HB3  PRO  65           HB1      PRO  65   3.559  -4.518   2.607
  422    HG2  PRO  65           HG2      PRO  65   6.023  -3.183   1.615
  423    HG3  PRO  65           HG1      PRO  65   4.578  -3.683   0.719
  424    HD2  PRO  65           HD2      PRO  65   5.197  -1.051   1.542
  425    HD3  PRO  65           HD1      PRO  65   3.629  -1.619   0.932
  426    H    ARG  66           H        ARG  66   4.243  -3.631   6.290
  427    HA   ARG  66           HA       ARG  66   6.485  -1.901   7.024
  428    HB2  ARG  66           HB2      ARG  66   4.656  -2.574   8.621
  429    HB3  ARG  66           HB1      ARG  66   5.293  -4.218   8.575
  430    HG2  ARG  66           HG2      ARG  66   7.470  -2.411   9.051
  431    HG3  ARG  66           HG1      ARG  66   6.177  -2.050  10.195
  432    HD2  ARG  66           HD2      ARG  66   6.543  -4.921   9.872
  433    HD3  ARG  66           HD1      ARG  66   8.030  -4.132  10.403
  434    HE   ARG  66           HE       ARG  66   6.983  -4.036  12.503
  435   HH11  ARG  66          1HH1      ARG  66   4.509  -5.034  10.587
  436   HH12  ARG  66          2HH1      ARG  66   3.259  -4.120  11.363
  437   HH21  ARG  66          1HH2      ARG  66   5.459  -2.217  13.254
  438   HH22  ARG  66          2HH2      ARG  66   3.796  -2.524  12.874
  439    H    ASN  67           H        ASN  67   8.426  -2.457   6.085
  440    HA   ASN  67           HA       ASN  67   9.276  -5.314   6.365
  441    HB2  ASN  67           HB2      ASN  67   8.861  -4.837   4.008
  442    HB3  ASN  67           HB1      ASN  67   9.869  -3.391   4.097
  443   HD21  ASN  67          1HD2      ASN  67  11.251  -4.438   2.388
  444   HD22  ASN  67          2HD2      ASN  67  12.380  -5.619   2.847
  445    H    GLY  68           H        GLY  68   9.874  -2.112   7.222
  446    HA2  GLY  68           HA2      GLY  68  12.764  -2.705   7.720
  447    HA3  GLY  68           HA1      GLY  68  12.117  -1.077   7.527
  448    H    LEU  69           H        LEU  69   9.839  -2.722   9.250
  449    HA   LEU  69           HA       LEU  69  11.057  -1.869  11.847
  450    HB2  LEU  69           HB2      LEU  69   8.377  -1.466  10.660
  451    HB3  LEU  69           HB1      LEU  69   8.373  -1.962  12.353
  452    HG   LEU  69           HG       LEU  69   8.463   0.540  11.991
  453   HD11  LEU  69          1HD1      LEU  69   9.431  -0.847  13.994
  454   HD12  LEU  69          2HD1      LEU  69   9.855   0.859  13.848
  455   HD13  LEU  69          3HD1      LEU  69  10.996  -0.381  13.328
  456   HD21  LEU  69          3HD2      LEU  69  11.364   0.326  11.394
  457   HD22  LEU  69          1HD2      LEU  69  10.193   1.530  10.859
  458   HD23  LEU  69          2HD2      LEU  69  10.275  -0.037  10.056
  459    H    TYR  70           H        TYR  70   9.662  -3.082  13.701
  460    HA   TYR  70           HA       TYR  70   9.710  -5.980  12.958
  461    HB2  TYR  70           HB2      TYR  70   9.953  -6.054  15.647
  462    HB3  TYR  70           HB1      TYR  70  11.344  -5.959  14.568
  463    HD1  TYR  70           HD2      TYR  70  12.112  -3.556  13.873
  464    HD2  TYR  70           HD1      TYR  70   9.634  -4.401  17.280
  465    HE1  TYR  70           HE2      TYR  70  12.737  -1.374  14.871
  466    HE2  TYR  70           HE1      TYR  70  10.260  -2.217  18.275
  467    HH   TYR  70           HH       TYR  70  12.007  -0.568  18.135
  468    H    GLY  71           H        GLY  71   7.608  -6.593  12.695
  469    HA2  GLY  71           HA2      GLY  71   5.608  -5.571  14.667
  470    HA3  GLY  71           HA1      GLY  71   5.205  -6.099  13.033
  Start of MODEL   11
    1    H    GLY   1           HT1      GLY   1 -11.020  -5.259  -0.020
    2    HA2  GLY   1           HA1      GLY   1 -12.207  -6.585   1.441
    3    HA3  GLY   1           HA2      GLY   1 -13.085  -5.055   1.450
    4    H    LYS   2           H        LYS   2 -14.511  -7.255   2.176
    5    HA   LYS   2           HA       LYS   2 -15.810  -8.537  -0.085
    6    HB2  LYS   2           HB2      LYS   2 -16.020  -8.612   2.858
    7    HB3  LYS   2           HB1      LYS   2 -17.542  -8.887   2.007
    8    HG2  LYS   2           HG2      LYS   2 -16.890 -10.935   1.323
    9    HG3  LYS   2           HG1      LYS   2 -15.336 -10.322   0.756
   10    HD2  LYS   2           HD2      LYS   2 -14.358 -10.517   2.928
   11    HD3  LYS   2           HD1      LYS   2 -15.929 -10.785   3.686
   12    HE2  LYS   2           HE2      LYS   2 -15.263 -12.695   1.536
   13    HE3  LYS   2           HE1      LYS   2 -14.218 -12.790   2.954
   14    HZ1  LYS   2           HZ1      LYS   2 -17.135 -13.168   2.780
   15    HZ2  LYS   2           HZ2      LYS   2 -16.413 -12.718   4.250
   16    HZ3  LYS   2           HZ3      LYS   2 -15.971 -14.173   3.493
   17    H    GLU   3           H        GLU   3 -16.010  -5.452   1.188
   18    HA   GLU   3           HA       GLU   3 -18.234  -4.726  -0.477
   19    HB2  GLU   3           HB2      GLU   3 -18.812  -5.545   2.291
   20    HB3  GLU   3           HB1      GLU   3 -19.454  -3.957   1.868
   21    HG2  GLU   3           HG2      GLU   3 -20.126  -5.342  -0.364
   22    HG3  GLU   3           HG1      GLU   3 -20.199  -6.636   0.832
   23    H    CYS   4           H        CYS   4 -15.491  -3.878   0.350
   24    HA   CYS   4           HA       CYS   4 -15.863  -1.074   0.196
   25    HB2  CYS   4           HB2      CYS   4 -16.691  -1.221   2.501
   26    HB3  CYS   4           HB1      CYS   4 -15.229  -2.078   2.986
   27    H    ASP   5           H        ASP   5 -13.951  -0.237  -0.532
   28    HA   ASP   5           HA       ASP   5 -11.475  -1.830   0.006
   29    HB2  ASP   5           HB2      ASP   5 -12.414  -1.777  -2.403
   30    HB3  ASP   5           HB1      ASP   5 -11.886  -0.094  -2.429
   31    H    CYS   6           H        CYS   6 -13.046   1.100   0.511
   32    HA   CYS   6           HA       CYS   6 -10.493   2.343   1.371
   33    HB2  CYS   6           HB2      CYS   6 -10.971   4.441   0.292
   34    HB3  CYS   6           HB1      CYS   6 -11.106   3.189  -0.942
   35    H    SER   7           H        SER   7 -10.752   3.633   3.216
   36    HA   SER   7           HA       SER   7 -13.384   3.381   4.543
   37    HB2  SER   7           HB2      SER   7 -12.048   4.437   6.482
   38    HB3  SER   7           HB1      SER   7 -11.596   2.809   5.987
   39    HG   SER   7           HG       SER   7  -9.721   3.945   6.059
   40    H    SER   8           H        SER   8 -12.147   5.505   2.402
   41    HA   SER   8           HA       SER   8 -13.194   7.909   3.815
   42    HB2  SER   8           HB2      SER   8 -12.122   8.689   1.342
   43    HB3  SER   8           HB1      SER   8 -11.369   8.873   2.923
   44    HG   SER   8           HG       SER   8 -11.024   6.877   0.976
   45    HA   PRO   9           HA       PRO   9 -16.745   7.323   1.146
   46    HB2  PRO   9           HB2      PRO   9 -18.256   9.288   2.335
   47    HB3  PRO   9           HB1      PRO   9 -18.075   7.655   3.000
   48    HG2  PRO   9           HG2      PRO   9 -16.839  10.205   3.927
   49    HG3  PRO   9           HG1      PRO   9 -17.210   8.738   4.848
   50    HD2  PRO   9           HD2      PRO   9 -14.654   9.496   3.898
   51    HD3  PRO   9           HD1      PRO   9 -15.104   7.894   4.522
   52    H    GLU  10           H        GLU  10 -15.065  10.355   1.794
   53    HA   GLU  10           HA       GLU  10 -16.308  11.659  -0.553
   54    HB2  GLU  10           HB2      GLU  10 -15.655  12.777   1.739
   55    HB3  GLU  10           HB1      GLU  10 -14.045  12.850   1.023
   56    HG2  GLU  10           HG2      GLU  10 -15.424  13.795  -1.061
   57    HG3  GLU  10           HG1      GLU  10 -16.544  14.272   0.217
   58    H    ASN  11           H        ASN  11 -14.501   9.278  -0.777
   59    HA   ASN  11           HA       ASN  11 -12.169  10.469  -2.181
   60    HB2  ASN  11           HB2      ASN  11 -11.860   8.591  -0.521
   61    HB3  ASN  11           HB1      ASN  11 -12.749   7.547  -1.630
   62   HD21  ASN  11          1HD2      ASN  11  -9.792   7.579  -0.780
   63   HD22  ASN  11          2HD2      ASN  11  -8.942   7.588  -2.248
   64    HA   PRO  12           HA       PRO  12 -14.423   9.723  -5.956
   65    HB2  PRO  12           HB2      PRO  12 -12.459  10.677  -7.628
   66    HB3  PRO  12           HB1      PRO  12 -13.567  11.724  -6.723
   67    HG2  PRO  12           HG2      PRO  12 -10.687  11.144  -6.204
   68    HG3  PRO  12           HG1      PRO  12 -11.637  12.579  -5.784
   69    HD2  PRO  12           HD2      PRO  12 -10.916  10.496  -4.011
   70    HD3  PRO  12           HD1      PRO  12 -12.138  11.749  -3.706
   71    H    CYS  13           H        CYS  13 -11.658   8.171  -4.820
   72    HA   CYS  13           HA       CYS  13 -11.094   6.611  -7.244
   73    HB2  CYS  13           HB2      CYS  13 -10.095   6.422  -4.388
   74    HB3  CYS  13           HB1      CYS  13  -9.565   5.344  -5.676
   75    H    CYS  14           H        CYS  14 -13.195   6.405  -4.495
   76    HA   CYS  14           HA       CYS  14 -14.046   3.708  -5.431
   77    HB2  CYS  14           HB2      CYS  14 -14.424   3.168  -2.944
   78    HB3  CYS  14           HB1      CYS  14 -12.760   3.136  -3.528
   79    H    ASP  15           H        ASP  15 -16.219   3.132  -4.664
   80    HA   ASP  15           HA       ASP  15 -17.978   5.516  -4.663
   81    HB2  ASP  15           HB2      ASP  15 -18.184   3.361  -6.175
   82    HB3  ASP  15           HB1      ASP  15 -18.962   2.683  -4.747
   83    H    ALA  16           H        ALA  16 -19.202   6.057  -2.885
   84    HA   ALA  16           HA       ALA  16 -18.610   4.756  -0.348
   85    HB1  ALA  16           HB1      ALA  16 -19.037   7.225  -0.608
   86    HB2  ALA  16           HB2      ALA  16 -20.030   6.458   0.631
   87    HB3  ALA  16           HB3      ALA  16 -20.726   6.844  -0.943
   88    H    ALA  17           H        ALA  17 -21.322   4.795  -2.622
   89    HA   ALA  17           HA       ALA  17 -23.335   3.610  -1.073
   90    HB1  ALA  17           HB1      ALA  17 -22.679   3.752  -3.929
   91    HB2  ALA  17           HB2      ALA  17 -24.248   3.866  -3.132
   92    HB3  ALA  17           HB3      ALA  17 -23.558   2.285  -3.498
   93    H    THR  18           H        THR  18 -20.469   2.145  -2.509
   94    HA   THR  18           HA       THR  18 -21.193  -0.415  -1.138
   95    HB   THR  18           HB       THR  18 -20.077  -1.627  -2.853
   96    HG1  THR  18           HG1      THR  18 -19.229   0.623  -4.235
   97   HG21  THR  18          3HG2      THR  18 -21.468   0.722  -4.173
   98   HG22  THR  18          1HG2      THR  18 -22.261  -0.730  -3.563
   99   HG23  THR  18          2HG2      THR  18 -21.151  -0.839  -4.930
  100    H    CYS  19           H        CYS  19 -18.972   2.188  -1.374
  101    HA   CYS  19           HA       CYS  19 -17.104   2.660  -0.001
  102    HB2  CYS  19           HB2      CYS  19 -18.438   1.080   1.617
  103    HB3  CYS  19           HB1      CYS  19 -17.249  -0.126   1.129
  104    H    LYS  20           H        LYS  20 -17.288   0.774  -2.540
  105    HA   LYS  20           HA       LYS  20 -14.480  -0.253  -2.320
  106    HB2  LYS  20           HB2      LYS  20 -16.543  -1.203  -4.313
  107    HB3  LYS  20           HB1      LYS  20 -15.047  -2.001  -3.828
  108    HG2  LYS  20           HG2      LYS  20 -15.948  -2.343  -1.561
  109    HG3  LYS  20           HG1      LYS  20 -17.441  -1.525  -2.025
  110    HD2  LYS  20           HD2      LYS  20 -18.032  -3.758  -2.341
  111    HD3  LYS  20           HD1      LYS  20 -17.478  -3.315  -3.957
  112    HE2  LYS  20           HE2      LYS  20 -15.123  -4.067  -2.824
  113    HE3  LYS  20           HE1      LYS  20 -16.241  -5.130  -1.969
  114    HZ1  LYS  20           HZ1      LYS  20 -15.279  -5.401  -4.565
  115    HZ2  LYS  20           HZ2      LYS  20 -16.935  -5.048  -4.692
  116    HZ3  LYS  20           HZ3      LYS  20 -16.414  -6.378  -3.771
  117    H    LEU  21           H        LEU  21 -13.589  -0.505  -4.749
  118    HA   LEU  21           HA       LEU  21 -13.164   2.134  -5.733
  119    HB2  LEU  21           HB2      LEU  21 -12.612  -0.626  -6.749
  120    HB3  LEU  21           HB1      LEU  21 -12.456   0.727  -7.871
  121    HG   LEU  21           HG       LEU  21 -11.155   1.751  -5.729
  122   HD11  LEU  21          1HD1      LEU  21 -11.335  -1.135  -5.309
  123   HD12  LEU  21          2HD1      LEU  21 -10.786   0.125  -4.203
  124   HD13  LEU  21          3HD1      LEU  21  -9.665  -0.574  -5.372
  125   HD21  LEU  21          3HD2      LEU  21 -10.518   1.031  -8.278
  126   HD22  LEU  21          1HD2      LEU  21  -9.490  -0.075  -7.365
  127   HD23  LEU  21          2HD2      LEU  21  -9.348   1.665  -7.122
  128    H    ARG  22           H        ARG  22 -14.296   3.351  -7.231
  129    HA   ARG  22           HA       ARG  22 -16.871   2.247  -8.138
  130    HB2  ARG  22           HB2      ARG  22 -17.318   4.384  -7.463
  131    HB3  ARG  22           HB1      ARG  22 -15.702   4.964  -7.839
  132    HG2  ARG  22           HG2      ARG  22 -16.289   4.870 -10.273
  133    HG3  ARG  22           HG1      ARG  22 -17.931   4.410  -9.823
  134    HD2  ARG  22           HD2      ARG  22 -16.532   7.038  -9.462
  135    HD3  ARG  22           HD1      ARG  22 -18.167   6.712 -10.035
  136    HE   ARG  22           HE       ARG  22 -17.500   6.215  -7.172
  137   HH11  ARG  22          1HH2      ARG  22 -20.239   6.183  -8.713
  138   HH12  ARG  22          2HH2      ARG  22 -20.943   7.627  -8.066
  139   HH21  ARG  22          1HH1      ARG  22 -17.962   8.802  -6.739
  140   HH22  ARG  22          2HH1      ARG  22 -19.654   9.110  -6.948
  141    HA   PRO  23           HA       PRO  23 -15.011   3.156 -12.421
  142    HB2  PRO  23           HB2      PRO  23 -12.492   4.246 -12.563
  143    HB3  PRO  23           HB1      PRO  23 -13.974   5.217 -12.496
  144    HG2  PRO  23           HG2      PRO  23 -11.973   4.690 -10.340
  145    HG3  PRO  23           HG1      PRO  23 -13.015   6.103 -10.584
  146    HD2  PRO  23           HD2      PRO  23 -13.486   4.050  -8.724
  147    HD3  PRO  23           HD1      PRO  23 -14.691   5.219  -9.303
  148    H    GLY  24           H        GLY  24 -12.555   2.545 -13.567
  149    HA2  GLY  24           HA2      GLY  24 -12.102  -0.180 -12.518
  150    HA3  GLY  24           HA1      GLY  24 -11.515   0.443 -14.061
  151    H    ALA  25           H        ALA  25 -11.164   1.794 -10.784
  152    HA   ALA  25           HA       ALA  25  -8.327   2.289 -11.256
  153    HB1  ALA  25           HB1      ALA  25  -8.927   3.924  -9.807
  154    HB2  ALA  25           HB2      ALA  25  -8.767   2.697  -8.553
  155    HB3  ALA  25           HB3      ALA  25 -10.346   3.030  -9.262
  156    H    GLN  26           H        GLN  26  -6.772   1.591  -9.387
  157    HA   GLN  26           HA       GLN  26  -7.202  -1.331  -8.937
  158    HB2  GLN  26           HB2      GLN  26  -4.963   0.214  -9.870
  159    HB3  GLN  26           HB1      GLN  26  -4.519  -0.591  -8.365
  160    HG2  GLN  26           HG2      GLN  26  -4.213  -2.474  -9.565
  161    HG3  GLN  26           HG1      GLN  26  -5.958  -2.514  -9.815
  162   HE21  GLN  26          1HE2      GLN  26  -2.889  -1.913 -11.365
  163   HE22  GLN  26          2HE2      GLN  26  -3.510  -1.528 -12.897
  164    H    CYS  27           H        CYS  27  -7.495   1.536  -7.323
  165    HA   CYS  27           HA       CYS  27  -7.540   0.279  -4.723
  166    HB2  CYS  27           HB2      CYS  27  -5.680   1.595  -3.730
  167    HB3  CYS  27           HB1      CYS  27  -5.111   0.448  -4.942
  168    H    GLY  28           H        GLY  28  -8.365   1.734  -3.102
  169    HA2  GLY  28           HA2      GLY  28  -9.588   4.183  -4.264
  170    HA3  GLY  28           HA1      GLY  28 -10.154   3.362  -2.814
  171    H    GLU  29           H        GLU  29  -7.734   3.020  -1.501
  172    HA   GLU  29           HA       GLU  29  -6.475   5.680  -1.296
  173    HB2  GLU  29           HB2      GLU  29  -6.978   5.857   1.087
  174    HB3  GLU  29           HB1      GLU  29  -8.471   5.770   0.168
  175    HG2  GLU  29           HG2      GLU  29  -9.072   4.019   1.443
  176    HG3  GLU  29           HG1      GLU  29  -7.772   3.102   0.680
  177    H    GLY  30           H        GLY  30  -4.967   5.314   0.968
  178    HA2  GLY  30           HA2      GLY  30  -3.710   3.368   2.028
  179    HA3  GLY  30           HA1      GLY  30  -3.535   2.747   0.386
  180    H    LEU  31           H        LEU  31  -1.240   3.125   1.803
  181    HA   LEU  31           HA       LEU  31  -0.112   5.783   1.354
  182    HB2  LEU  31           HB2      LEU  31   1.101   3.134   2.190
  183    HB3  LEU  31           HB1      LEU  31   2.041   4.614   2.016
  184    HG   LEU  31           HG       LEU  31   0.027   5.537   3.560
  185   HD11  LEU  31          1HD1      LEU  31  -1.121   3.913   4.620
  186   HD12  LEU  31          2HD1      LEU  31   0.381   3.156   5.151
  187   HD13  LEU  31          3HD1      LEU  31  -0.319   2.729   3.588
  188   HD21  LEU  31          3HD2      LEU  31   2.161   5.985   4.343
  189   HD22  LEU  31          1HD2      LEU  31   2.694   4.316   4.144
  190   HD23  LEU  31          2HD2      LEU  31   1.671   4.757   5.510
  191    H    CYS  32           H        CYS  32  -0.519   2.917  -0.500
  192    HA   CYS  32           HA       CYS  32   1.561   3.856  -2.427
  193    HB2  CYS  32           HB2      CYS  32   1.215   1.352  -1.318
  194    HB3  CYS  32           HB1      CYS  32   0.434   1.191  -2.893
  195    H    CYS  33           H        CYS  33  -1.665   4.141  -1.951
  196    HA   CYS  33           HA       CYS  33  -2.472   3.530  -4.724
  197    HB2  CYS  33           HB2      CYS  33  -4.036   3.063  -2.854
  198    HB3  CYS  33           HB1      CYS  33  -4.082   4.783  -2.477
  199    H    GLU  34           H        GLU  34  -2.121   4.999  -6.290
  200    HA   GLU  34           HA       GLU  34  -2.243   7.898  -5.553
  201    HB2  GLU  34           HB2      GLU  34   0.086   7.206  -5.987
  202    HB3  GLU  34           HB1      GLU  34  -0.394   6.574  -7.561
  203    HG2  GLU  34           HG2      GLU  34  -0.393   8.630  -8.500
  204    HG3  GLU  34           HG1      GLU  34  -1.278   9.332  -7.145
  205    H    GLN  35           H        GLN  35  -3.890   8.879  -6.619
  206    HA   GLN  35           HA       GLN  35  -5.458   9.366  -8.297
  207    HB2  GLN  35           HB2      GLN  35  -3.049   8.488  -9.667
  208    HB3  GLN  35           HB1      GLN  35  -4.494   8.036 -10.572
  209    HG2  GLN  35           HG2      GLN  35  -3.750  10.809  -9.598
  210    HG3  GLN  35           HG1      GLN  35  -3.842  10.260 -11.272
  211   HE21  GLN  35          1HE2      GLN  35  -6.026   9.758 -12.142
  212   HE22  GLN  35          2HE2      GLN  35  -7.404  10.432 -11.417
  213    H    CYS  36           H        CYS  36  -5.742   6.971  -6.662
  214    HA   CYS  36           HA       CYS  36  -7.211   5.141  -6.566
  215    HB2  CYS  36           HB2      CYS  36  -8.021   5.647  -9.419
  216    HB3  CYS  36           HB1      CYS  36  -9.003   5.059  -8.073
  217    H    LYS  37           H        LYS  37  -4.431   5.124  -7.866
  218    HA   LYS  37           HA       LYS  37  -4.743   2.441  -9.142
  219    HB2  LYS  37           HB2      LYS  37  -3.011   4.753 -10.057
  220    HB3  LYS  37           HB1      LYS  37  -2.783   3.096 -10.620
  221    HG2  LYS  37           HG2      LYS  37  -5.519   3.515 -10.916
  222    HG3  LYS  37           HG1      LYS  37  -4.807   5.054 -11.403
  223    HD2  LYS  37           HD2      LYS  37  -3.478   2.597 -12.427
  224    HD3  LYS  37           HD1      LYS  37  -5.064   2.978 -13.103
  225    HE2  LYS  37           HE2      LYS  37  -4.304   5.212 -13.726
  226    HE3  LYS  37           HE1      LYS  37  -2.744   4.927 -12.955
  227    HZ1  LYS  37           HZ1      LYS  37  -2.225   3.257 -14.529
  228    HZ2  LYS  37           HZ2      LYS  37  -2.789   4.592 -15.415
  229    HZ3  LYS  37           HZ3      LYS  37  -3.799   3.250 -15.161
  230    H    PHE  38           H        PHE  38  -2.660   1.176  -9.042
  231    HA   PHE  38           HA       PHE  38  -1.520   1.426  -6.354
  232    HB2  PHE  38           HB2      PHE  38  -1.213  -0.545  -8.616
  233    HB3  PHE  38           HB1      PHE  38  -0.134  -0.593  -7.223
  234    HD1  PHE  38           HD1      PHE  38  -1.902   0.178  -5.013
  235    HD2  PHE  38           HD2      PHE  38  -2.654  -2.391  -8.371
  236    HE1  PHE  38           HE1      PHE  38  -3.626  -1.030  -3.705
  237    HE2  PHE  38           HE2      PHE  38  -4.380  -3.599  -7.061
  238    HZ   PHE  38           HZ       PHE  38  -4.865  -2.918  -4.727
  239    H    SER  39           H        SER  39   0.330   2.533  -5.903
  240    HA   SER  39           HA       SER  39   1.808   3.926  -7.919
  241    HB2  SER  39           HB2      SER  39   2.817   3.174  -5.160
  242    HB3  SER  39           HB1      SER  39   3.339   4.531  -6.154
  243    HG   SER  39           HG       SER  39   1.763   5.015  -4.463
  244    H    ARG  40           H        ARG  40   4.486   3.001  -6.644
  245    HA   ARG  40           HA       ARG  40   4.712   0.458  -8.203
  246    HB2  ARG  40           HB2      ARG  40   7.031   1.219  -8.811
  247    HB3  ARG  40           HB1      ARG  40   5.755   2.223  -9.502
  248    HG2  ARG  40           HG2      ARG  40   6.133   3.974  -7.976
  249    HG3  ARG  40           HG1      ARG  40   6.988   2.925  -6.844
  250    HD2  ARG  40           HD2      ARG  40   8.644   2.629  -8.900
  251    HD3  ARG  40           HD1      ARG  40   7.972   4.190  -9.372
  252    HE   ARG  40           HE       ARG  40   8.796   4.170  -6.590
  253   HH11  ARG  40          1HH2      ARG  40  10.808   3.289  -8.991
  254   HH12  ARG  40          2HH2      ARG  40  11.787   4.717  -9.003
  255   HH21  ARG  40          1HH1      ARG  40   9.637   6.528  -6.973
  256   HH22  ARG  40          2HH1      ARG  40  11.124   6.552  -7.860
  257    H    ALA  41           H        ALA  41   6.530  -0.924  -7.463
  258    HA   ALA  41           HA       ALA  41   6.656  -1.002  -4.555
  259    HB1  ALA  41           HB1      ALA  41   7.377  -3.148  -4.840
  260    HB2  ALA  41           HB2      ALA  41   8.543  -2.692  -6.081
  261    HB3  ALA  41           HB3      ALA  41   6.846  -2.916  -6.505
  262    H    GLY  42           H        GLY  42   8.806  -1.141  -3.422
  263    HA2  GLY  42           HA2      GLY  42  10.926  -0.232  -2.942
  264    HA3  GLY  42           HA1      GLY  42  11.144   0.012  -4.678
  265    H    LYS  43           H        LYS  43   8.280   1.222  -3.140
  266    HA   LYS  43           HA       LYS  43   9.307   3.998  -3.603
  267    HB2  LYS  43           HB2      LYS  43   7.360   4.164  -4.741
  268    HB3  LYS  43           HB1      LYS  43   6.766   2.652  -4.081
  269    HG2  LYS  43           HG2      LYS  43   5.204   3.953  -3.078
  270    HG3  LYS  43           HG1      LYS  43   6.458   4.350  -1.922
  271    HD2  LYS  43           HD2      LYS  43   6.100   5.888  -4.496
  272    HD3  LYS  43           HD1      LYS  43   5.254   6.327  -3.012
  273    HE2  LYS  43           HE2      LYS  43   7.804   6.046  -2.091
  274    HE3  LYS  43           HE1      LYS  43   8.103   6.647  -3.721
  275    HZ1  LYS  43           HZ1      LYS  43   7.832   8.426  -2.058
  276    HZ2  LYS  43           HZ2      LYS  43   6.239   7.903  -1.781
  277    HZ3  LYS  43           HZ3      LYS  43   6.684   8.511  -3.304
  278    H    ILE  44           H        ILE  44   9.825   5.189  -1.837
  279    HA   ILE  44           HA       ILE  44   9.632   4.184   0.805
  280    HB   ILE  44           HB       ILE  44  11.224   5.924   0.305
  281   HG12  ILE  44          2HG1      ILE  44  10.425   7.730   1.993
  282   HG13  ILE  44          1HG1      ILE  44   9.009   6.702   2.204
  283   HG21  ILE  44          1HG2      ILE  44  10.663   7.544  -1.139
  284   HG22  ILE  44          2HG2      ILE  44   9.588   8.233   0.080
  285   HG23  ILE  44          3HG2      ILE  44   8.975   7.043  -1.067
  286   HD11  ILE  44          3HD1      ILE  44  10.292   4.902   3.035
  287   HD12  ILE  44          1HD1      ILE  44  11.012   6.320   3.797
  288   HD13  ILE  44          2HD1      ILE  44  11.798   5.572   2.407
  289    H    CYS  45           H        CYS  45   7.628   3.572   1.459
  290    HA   CYS  45           HA       CYS  45   5.337   5.435   1.183
  291    HB2  CYS  45           HB2      CYS  45   4.111   3.475   2.319
  292    HB3  CYS  45           HB1      CYS  45   4.680   3.226   0.670
  293    H    ARG  46           H        ARG  46   7.702   4.492   3.473
  294    HA   ARG  46           HA       ARG  46   6.483   6.281   5.467
  295    HB2  ARG  46           HB2      ARG  46   6.548   3.321   5.745
  296    HB3  ARG  46           HB1      ARG  46   7.047   4.248   7.160
  297    HG2  ARG  46           HG2      ARG  46   4.926   4.892   7.592
  298    HG3  ARG  46           HG1      ARG  46   4.664   5.377   5.917
  299    HD2  ARG  46           HD2      ARG  46   3.804   3.328   5.309
  300    HD3  ARG  46           HD1      ARG  46   4.769   2.452   6.497
  301    HE   ARG  46           HE       ARG  46   2.094   3.323   6.914
  302   HH11  ARG  46          1HH1      ARG  46   5.178   3.001   8.411
  303   HH12  ARG  46          2HH1      ARG  46   4.562   3.163  10.021
  304   HH21  ARG  46          1HH2      ARG  46   1.288   3.682   9.007
  305   HH22  ARG  46          2HH2      ARG  46   2.362   3.547  10.359
  306    H    ILE  47           H        ILE  47   8.008   6.524   7.376
  307    HA   ILE  47           HA       ILE  47  10.799   6.438   6.337
  308    HB   ILE  47           HB       ILE  47  10.326   7.947   8.815
  309   HG12  ILE  47          2HG1      ILE  47   8.137   8.341   7.728
  310   HG13  ILE  47          1HG1      ILE  47   9.123   9.803   7.704
  311   HG21  ILE  47          1HG2      ILE  47  11.787   8.145   6.247
  312   HG22  ILE  47          2HG2      ILE  47  12.317   8.543   7.881
  313   HG23  ILE  47          3HG2      ILE  47  11.314   9.678   6.977
  314   HD11  ILE  47          3HD1      ILE  47   7.898   8.766   5.499
  315   HD12  ILE  47          1HD1      ILE  47   9.489   8.015   5.378
  316   HD13  ILE  47          2HD1      ILE  47   9.346   9.772   5.437
  317    H    ALA  48           H        ALA  48  12.464   5.554   7.620
  318    HA   ALA  48           HA       ALA  48  11.820   3.319   9.244
  319    HB1  ALA  48           HB1      ALA  48  14.372   4.808   9.734
  320    HB2  ALA  48           HB2      ALA  48  14.098   4.137   8.126
  321    HB3  ALA  48           HB3      ALA  48  14.108   3.076   9.534
  322    H    ARG  49           H        ARG  49  13.351   3.684  11.615
  323    HA   ARG  49           HA       ARG  49  12.091   5.988  12.974
  324    HB2  ARG  49           HB2      ARG  49  11.712   3.143  13.955
  325    HB3  ARG  49           HB1      ARG  49  11.170   4.603  14.776
  326    HG2  ARG  49           HG2      ARG  49  10.308   3.932  11.957
  327    HG3  ARG  49           HG1      ARG  49   9.408   3.393  13.375
  328    HD2  ARG  49           HD2      ARG  49   9.517   5.908  14.087
  329    HD3  ARG  49           HD1      ARG  49   9.862   6.197  12.381
  330    HE   ARG  49           HE       ARG  49   7.487   4.538  12.931
  331   HH11  ARG  49          1HH2      ARG  49   7.949   6.131  10.413
  332   HH12  ARG  49          2HH2      ARG  49   6.876   7.471  10.639
  333   HH21  ARG  49          1HH1      ARG  49   6.476   6.923  14.038
  334   HH22  ARG  49          2HH1      ARG  49   6.042   7.919  12.688
  335    H    GLY  50           H        GLY  50  14.881   4.387  12.400
  336    HA2  GLY  50           HA2      GLY  50  16.589   5.632  14.008
  337    HA3  GLY  50           HA1      GLY  50  15.848   4.582  15.198
  338    H    ASP  51           H        ASP  51  18.090   4.785  12.594
  339    HA   ASP  51           HA       ASP  51  19.978   3.428  12.247
  340    HB2  ASP  51           HB2      ASP  51  19.043   2.480  14.674
  341    HB3  ASP  51           HB1      ASP  51  19.107   1.038  13.661
  342    H    TRP  52           H        TRP  52  16.745   2.169  11.813
  343    HA   TRP  52           HA       TRP  52  17.853   0.229   9.844
  344    HB2  TRP  52           HB2      TRP  52  15.266  -0.395   9.786
  345    HB3  TRP  52           HB1      TRP  52  16.335  -1.008  11.047
  346    HD1  TRP  52           HD       TRP  52  13.525   1.449  10.424
  347    HE1  TRP  52           HE1      TRP  52  12.635   2.300  12.677
  348    HE3  TRP  52           HE3      TRP  52  17.047  -0.507  13.547
  349    HZ2  TRP  52           HZ2      TRP  52  13.334   2.192  15.449
  350    HZ3  TRP  52           HZ3      TRP  52  16.923  -0.097  15.986
  351    HH2  TRP  52           HH       TRP  52  15.071   1.239  16.943
  352    H    ASN  53           H        ASN  53  16.710   0.045   7.741
  353    HA   ASN  53           HA       ASN  53  16.643   2.547   6.375
  354    HB2  ASN  53           HB2      ASN  53  15.748  -0.241   5.663
  355    HB3  ASN  53           HB1      ASN  53  15.477   1.106   4.557
  356   HD21  ASN  53          1HD2      ASN  53  17.232  -0.985   3.798
  357   HD22  ASN  53          2HD2      ASN  53  18.823  -0.393   3.779
  358    H    ASP  54           H        ASP  54  14.608   3.099   4.958
  359    HA   ASP  54           HA       ASP  54  12.440   3.685   6.835
  360    HB2  ASP  54           HB2      ASP  54  12.528   4.270   3.866
  361    HB3  ASP  54           HB1      ASP  54  11.560   5.087   5.094
  362    H    ASP  55           H        ASP  55  10.528   3.543   4.382
  363    HA   ASP  55           HA       ASP  55  10.071   0.588   4.481
  364    HB2  ASP  55           HB2      ASP  55   8.030   2.815   4.741
  365    HB3  ASP  55           HB1      ASP  55   7.614   1.116   4.514
  366    H    ARG  56           H        ARG  56   9.940  -0.275   2.461
  367    HA   ARG  56           HA       ARG  56   9.663   1.572   0.144
  368    HB2  ARG  56           HB2      ARG  56  10.430  -1.361   0.304
  369    HB3  ARG  56           HB1      ARG  56  10.388  -0.404  -1.177
  370    HG2  ARG  56           HG2      ARG  56  12.005   0.494   1.200
  371    HG3  ARG  56           HG1      ARG  56  12.665  -0.653   0.035
  372    HD2  ARG  56           HD2      ARG  56  11.740   1.168  -1.697
  373    HD3  ARG  56           HD1      ARG  56  12.002   2.234  -0.316
  374    HE   ARG  56           HE       ARG  56  14.096   0.835  -1.842
  375   HH11  ARG  56          1HH2      ARG  56  13.709   1.228   1.416
  376   HH12  ARG  56          2HH2      ARG  56  15.058   2.286   1.653
  377   HH21  ARG  56          1HH1      ARG  56  15.609   2.779  -1.734
  378   HH22  ARG  56          2HH1      ARG  56  16.135   3.165  -0.130
  379    H    CYS  57           H        CYS  57   7.999   1.442  -1.285
  380    HA   CYS  57           HA       CYS  57   5.521   0.225  -0.402
  381    HB2  CYS  57           HB2      CYS  57   6.334   2.190  -2.266
  382    HB3  CYS  57           HB1      CYS  57   5.485   0.955  -3.184
  383    H    THR  58           H        THR  58   4.424  -1.510  -1.420
  384    HA   THR  58           HA       THR  58   6.152  -3.590  -2.506
  385    HB   THR  58           HB       THR  58   3.400  -4.248  -2.846
  386    HG1  THR  58           HG1      THR  58   3.759  -3.499  -0.205
  387   HG21  THR  58          3HG2      THR  58   4.264  -6.110  -1.933
  388   HG22  THR  58          1HG2      THR  58   4.475  -5.272  -0.396
  389   HG23  THR  58          2HG2      THR  58   5.761  -5.238  -1.603
  390    H    GLY  59           H        GLY  59   3.984  -1.173  -3.790
  391    HA2  GLY  59           HA2      GLY  59   3.919  -0.455  -6.061
  392    HA3  GLY  59           HA1      GLY  59   4.833  -1.891  -6.517
  393    H    GLN  60           H        GLN  60   2.794  -3.490  -4.824
  394    HA   GLN  60           HA       GLN  60   0.600  -3.429  -6.859
  395    HB2  GLN  60           HB2      GLN  60   1.999  -5.779  -5.572
  396    HB3  GLN  60           HB1      GLN  60   0.422  -5.937  -6.349
  397    HG2  GLN  60           HG2      GLN  60   1.321  -5.838  -8.421
  398    HG3  GLN  60           HG1      GLN  60   2.337  -4.460  -7.996
  399   HE21  GLN  60          1HE2      GLN  60   3.691  -6.184  -9.534
  400   HE22  GLN  60          2HE2      GLN  60   4.725  -7.187  -8.637
  401    H    SER  61           H        SER  61   1.310  -2.864  -3.674
  402    HA   SER  61           HA       SER  61  -1.431  -3.704  -2.810
  403    HB2  SER  61           HB2      SER  61   1.158  -4.037  -1.569
  404    HB3  SER  61           HB1      SER  61   0.115  -3.066  -0.533
  405    HG   SER  61           HG       SER  61   0.069  -5.598  -0.647
  406    H    ALA  62           H        ALA  62  -2.803  -2.088  -2.161
  407    HA   ALA  62           HA       ALA  62  -2.158   0.657  -2.635
  408    HB1  ALA  62           HB1      ALA  62  -4.289   0.411  -0.709
  409    HB2  ALA  62           HB2      ALA  62  -4.470  -0.831  -1.948
  410    HB3  ALA  62           HB3      ALA  62  -4.388   0.869  -2.409
  411    H    ASP  63           H        ASP  63  -2.354  -1.235   0.378
  412    HA   ASP  63           HA       ASP  63  -1.484   1.056   1.985
  413    HB2  ASP  63           HB2      ASP  63  -1.469  -0.591   3.848
  414    HB3  ASP  63           HB1      ASP  63  -2.998  -0.607   2.968
  415    H    CYS  64           H        CYS  64   0.513   0.798   3.397
  416    HA   CYS  64           HA       CYS  64   2.705  -0.353   1.738
  417    HB2  CYS  64           HB2      CYS  64   3.182   1.920   2.046
  418    HB3  CYS  64           HB1      CYS  64   2.566   1.939   3.691
  419    HA   PRO  65           HA       PRO  65   3.326  -3.426   4.776
  420    HB2  PRO  65           HB2      PRO  65   5.737  -4.267   3.801
  421    HB3  PRO  65           HB1      PRO  65   4.198  -4.701   3.063
  422    HG2  PRO  65           HG2      PRO  65   6.274  -2.782   2.136
  423    HG3  PRO  65           HG1      PRO  65   5.061  -3.664   1.193
  424    HD2  PRO  65           HD2      PRO  65   4.919  -0.947   1.951
  425    HD3  PRO  65           HD1      PRO  65   3.590  -1.926   1.298
  426    H    ARG  66           H        ARG  66   5.683  -4.196   5.895
  427    HA   ARG  66           HA       ARG  66   6.906  -1.688   6.970
  428    HB2  ARG  66           HB2      ARG  66   5.223  -3.002   8.492
  429    HB3  ARG  66           HB1      ARG  66   6.556  -4.142   8.675
  430    HG2  ARG  66           HG2      ARG  66   6.659  -2.498  10.476
  431    HG3  ARG  66           HG1      ARG  66   8.025  -2.252   9.387
  432    HD2  ARG  66           HD2      ARG  66   7.362  -0.109   9.177
  433    HD3  ARG  66           HD1      ARG  66   5.951  -0.703   8.303
  434    HE   ARG  66           HE       ARG  66   5.922   0.391  10.965
  435   HH11  ARG  66          1HH1      ARG  66   3.743  -0.232   8.745
  436   HH12  ARG  66          2HH1      ARG  66   2.638  -1.157   9.706
  437   HH21  ARG  66          1HH2      ARG  66   4.873  -1.611  12.317
  438   HH22  ARG  66          2HH2      ARG  66   3.277  -1.937  11.728
  439    H    ASN  67           H        ASN  67   8.893  -1.796   5.959
  440    HA   ASN  67           HA       ASN  67  10.416  -4.355   6.268
  441    HB2  ASN  67           HB2      ASN  67   9.826  -2.963   3.924
  442    HB3  ASN  67           HB1      ASN  67  11.485  -2.490   4.291
  443   HD21  ASN  67          1HD2      ASN  67   9.513  -5.046   3.059
  444   HD22  ASN  67          2HD2      ASN  67  10.732  -6.221   2.937
  445    H    GLY  68           H        GLY  68  10.279  -0.988   6.981
  446    HA2  GLY  68           HA2      GLY  68  13.154  -0.788   7.575
  447    HA3  GLY  68           HA1      GLY  68  11.964   0.493   7.793
  448    H    LEU  69           H        LEU  69  10.197  -1.538   9.218
  449    HA   LEU  69           HA       LEU  69  11.563  -1.294  11.857
  450    HB2  LEU  69           HB2      LEU  69   8.829  -0.934  10.945
  451    HB3  LEU  69           HB1      LEU  69   8.901  -2.102  12.264
  452    HG   LEU  69           HG       LEU  69   8.640   0.199  13.127
  453   HD11  LEU  69          1HD1      LEU  69   9.752  -1.016  14.741
  454   HD12  LEU  69          2HD1      LEU  69  10.999   0.181  14.386
  455   HD13  LEU  69          3HD1      LEU  69  11.087  -1.425  13.663
  456   HD21  LEU  69          3HD2      LEU  69  11.008   0.618  11.348
  457   HD22  LEU  69          1HD2      LEU  69  10.924   1.550  12.843
  458   HD23  LEU  69          2HD2      LEU  69   9.631   1.678  11.650
  459    H    TYR  70           H        TYR  70  10.436  -3.189  13.371
  460    HA   TYR  70           HA       TYR  70  11.058  -5.735  11.926
  461    HB2  TYR  70           HB2      TYR  70  11.351  -6.367  14.577
  462    HB3  TYR  70           HB1      TYR  70  12.676  -5.887  13.519
  463    HD1  TYR  70           HD1      TYR  70  10.051  -4.440  15.772
  464    HD2  TYR  70           HD2      TYR  70  13.952  -3.988  14.027
  465    HE1  TYR  70           HE1      TYR  70  10.442  -2.422  17.161
  466    HE2  TYR  70           HE2      TYR  70  14.340  -1.971  15.417
  467    HH   TYR  70           HH       TYR  70  13.340  -1.140  17.768
  468    H    GLY  71           H        GLY  71   9.890  -7.664  12.833
  469    HA2  GLY  71           HA2      GLY  71   7.853  -8.728  13.307
  470    HA3  GLY  71           HA1      GLY  71   7.658  -7.503  14.559
  Start of MODEL   12
    1    H    GLY   1           HT1      GLY   1 -11.019  -4.490   1.523
    2    HA2  GLY   1           HA1      GLY   1 -10.787  -6.734   3.414
    3    HA3  GLY   1           HA2      GLY   1 -11.925  -5.387   3.423
    4    H    LYS   2           H        LYS   2 -13.944  -6.122   2.975
    5    HA   LYS   2           HA       LYS   2 -14.241  -8.430   1.124
    6    HB2  LYS   2           HB2      LYS   2 -16.006  -7.230   3.245
    7    HB3  LYS   2           HB1      LYS   2 -16.667  -8.315   2.021
    8    HG2  LYS   2           HG2      LYS   2 -14.185  -9.171   3.449
    9    HG3  LYS   2           HG1      LYS   2 -15.712  -9.251   4.329
   10    HD2  LYS   2           HD2      LYS   2 -15.825 -10.303   1.573
   11    HD3  LYS   2           HD1      LYS   2 -14.799 -11.225   2.671
   12    HE2  LYS   2           HE2      LYS   2 -16.641 -12.165   3.554
   13    HE3  LYS   2           HE1      LYS   2 -17.155 -10.572   4.110
   14    HZ1  LYS   2           HZ1      LYS   2 -17.591 -11.270   1.299
   15    HZ2  LYS   2           HZ2      LYS   2 -18.512 -10.277   2.324
   16    HZ3  LYS   2           HZ3      LYS   2 -18.612 -11.968   2.460
   17    H    GLU   3           H        GLU   3 -16.966  -6.386   1.553
   18    HA   GLU   3           HA       GLU   3 -16.912  -5.728  -1.316
   19    HB2  GLU   3           HB2      GLU   3 -18.956  -6.444   0.263
   20    HB3  GLU   3           HB1      GLU   3 -19.058  -4.696   0.480
   21    HG2  GLU   3           HG2      GLU   3 -19.177  -4.371  -1.943
   22    HG3  GLU   3           HG1      GLU   3 -18.992  -6.106  -2.205
   23    H    CYS   4           H        CYS   4 -15.240  -4.389   0.997
   24    HA   CYS   4           HA       CYS   4 -15.840  -1.622   0.056
   25    HB2  CYS   4           HB2      CYS   4 -16.503  -1.993   2.457
   26    HB3  CYS   4           HB1      CYS   4 -14.810  -2.334   2.814
   27    H    ASP   5           H        ASP   5 -14.101  -0.590  -0.822
   28    HA   ASP   5           HA       ASP   5 -11.455  -1.948  -0.578
   29    HB2  ASP   5           HB2      ASP   5 -12.812  -1.251  -2.846
   30    HB3  ASP   5           HB1      ASP   5 -11.798   0.173  -2.614
   31    H    CYS   6           H        CYS   6 -13.180   0.957   0.163
   32    HA   CYS   6           HA       CYS   6 -10.612   2.170   1.093
   33    HB2  CYS   6           HB2      CYS   6 -11.256   4.294   0.338
   34    HB3  CYS   6           HB1      CYS   6 -11.877   3.252  -0.936
   35    H    SER   7           H        SER   7 -11.746   4.271   2.598
   36    HA   SER   7           HA       SER   7 -13.525   2.833   4.515
   37    HB2  SER   7           HB2      SER   7 -12.202   3.775   6.383
   38    HB3  SER   7           HB1      SER   7 -11.219   2.727   5.364
   39    HG   SER   7           HG       SER   7 -10.000   4.386   4.992
   40    H    SER   8           H        SER   8 -12.476   5.868   3.080
   41    HA   SER   8           HA       SER   8 -14.337   7.445   4.712
   42    HB2  SER   8           HB2      SER   8 -12.073   7.985   3.039
   43    HB3  SER   8           HB1      SER   8 -13.443   8.918   2.446
   44    HG   SER   8           HG       SER   8 -12.621   8.785   5.163
   45    HA   PRO   9           HA       PRO   9 -17.643   6.726   1.820
   46    HB2  PRO   9           HB2      PRO   9 -19.470   8.331   3.100
   47    HB3  PRO   9           HB1      PRO   9 -19.056   6.697   3.646
   48    HG2  PRO   9           HG2      PRO   9 -18.264   9.323   4.814
   49    HG3  PRO   9           HG1      PRO   9 -18.413   7.743   5.602
   50    HD2  PRO   9           HD2      PRO   9 -15.994   8.982   4.791
   51    HD3  PRO   9           HD1      PRO   9 -16.188   7.291   5.297
   52    H    GLU  10           H        GLU  10 -16.183   9.768   2.598
   53    HA   GLU  10           HA       GLU  10 -17.709  11.225   0.521
   54    HB2  GLU  10           HB2      GLU  10 -16.358  13.179   1.269
   55    HB3  GLU  10           HB1      GLU  10 -17.218  12.417   2.607
   56    HG2  GLU  10           HG2      GLU  10 -14.577  11.240   2.133
   57    HG3  GLU  10           HG1      GLU  10 -14.502  12.953   2.546
   58    H    ASN  11           H        ASN  11 -15.416   9.023   0.300
   59    HA   ASN  11           HA       ASN  11 -13.562  10.513  -1.463
   60    HB2  ASN  11           HB2      ASN  11 -12.659   8.857   0.156
   61    HB3  ASN  11           HB1      ASN  11 -13.583   7.589  -0.650
   62   HD21  ASN  11          1HD2      ASN  11 -10.615   7.808  -0.446
   63   HD22  ASN  11          2HD2      ASN  11 -10.043   7.858  -2.043
   64    HA   PRO  12           HA       PRO  12 -16.026   9.203  -4.936
   65    HB2  PRO  12           HB2      PRO  12 -14.391  10.302  -6.858
   66    HB3  PRO  12           HB1      PRO  12 -15.548  11.245  -5.901
   67    HG2  PRO  12           HG2      PRO  12 -12.577  11.108  -5.656
   68    HG3  PRO  12           HG1      PRO  12 -13.681  12.423  -5.219
   69    HD2  PRO  12           HD2      PRO  12 -12.499  10.595  -3.415
   70    HD3  PRO  12           HD1      PRO  12 -13.862  11.676  -3.057
   71    H    CYS  13           H        CYS  13 -12.517   8.722  -4.757
   72    HA   CYS  13           HA       CYS  13 -12.115   6.905  -6.843
   73    HB2  CYS  13           HB2      CYS  13 -10.800   7.564  -4.306
   74    HB3  CYS  13           HB1      CYS  13 -10.555   5.886  -4.798
   75    H    CYS  14           H        CYS  14 -13.853   6.451  -3.851
   76    HA   CYS  14           HA       CYS  14 -14.320   3.615  -4.665
   77    HB2  CYS  14           HB2      CYS  14 -14.342   2.953  -2.309
   78    HB3  CYS  14           HB1      CYS  14 -12.798   3.704  -2.707
   79    H    ASP  15           H        ASP  15 -16.408   3.457  -5.237
   80    HA   ASP  15           HA       ASP  15 -18.450   5.317  -4.651
   81    HB2  ASP  15           HB2      ASP  15 -18.316   3.138  -6.236
   82    HB3  ASP  15           HB1      ASP  15 -19.221   2.451  -4.889
   83    H    ALA  16           H        ALA  16 -19.373   5.787  -2.712
   84    HA   ALA  16           HA       ALA  16 -18.841   4.237  -0.341
   85    HB1  ALA  16           HB1      ALA  16 -19.280   6.410   0.263
   86    HB2  ALA  16           HB2      ALA  16 -20.918   5.773   0.427
   87    HB3  ALA  16           HB3      ALA  16 -20.451   6.643  -1.035
   88    H    ALA  17           H        ALA  17 -21.596   4.450  -2.560
   89    HA   ALA  17           HA       ALA  17 -23.537   3.034  -1.117
   90    HB1  ALA  17           HB1      ALA  17 -24.173   2.107  -3.468
   91    HB2  ALA  17           HB2      ALA  17 -22.860   3.131  -4.052
   92    HB3  ALA  17           HB3      ALA  17 -24.234   3.852  -3.213
   93    H    THR  18           H        THR  18 -20.753   1.782  -2.924
   94    HA   THR  18           HA       THR  18 -21.409  -0.943  -1.892
   95    HB   THR  18           HB       THR  18 -20.430  -1.855  -3.767
   96    HG1  THR  18           HG1      THR  18 -18.910   0.337  -4.502
   97   HG21  THR  18          3HG2      THR  18 -22.193  -0.035  -4.386
   98   HG22  THR  18          1HG2      THR  18 -21.195  -0.718  -5.670
   99   HG23  THR  18          2HG2      THR  18 -20.804   0.864  -4.997
  100    H    CYS  19           H        CYS  19 -19.234   1.701  -1.622
  101    HA   CYS  19           HA       CYS  19 -17.490   2.005  -0.059
  102    HB2  CYS  19           HB2      CYS  19 -18.886   0.015   1.091
  103    HB3  CYS  19           HB1      CYS  19 -17.426  -0.882   0.681
  104    H    LYS  20           H        LYS  20 -17.415   0.525  -2.877
  105    HA   LYS  20           HA       LYS  20 -14.552  -0.317  -2.600
  106    HB2  LYS  20           HB2      LYS  20 -16.631  -1.302  -4.573
  107    HB3  LYS  20           HB1      LYS  20 -14.934  -1.784  -4.557
  108    HG2  LYS  20           HG2      LYS  20 -15.841  -2.156  -1.916
  109    HG3  LYS  20           HG1      LYS  20 -17.124  -2.790  -2.949
  110    HD2  LYS  20           HD2      LYS  20 -14.210  -3.489  -3.364
  111    HD3  LYS  20           HD1      LYS  20 -15.280  -4.443  -2.336
  112    HE2  LYS  20           HE2      LYS  20 -16.640  -3.951  -4.799
  113    HE3  LYS  20           HE1      LYS  20 -15.022  -4.539  -5.182
  114    HZ1  LYS  20           HZ1      LYS  20 -17.238  -5.952  -4.099
  115    HZ2  LYS  20           HZ2      LYS  20 -15.886  -6.084  -3.079
  116    HZ3  LYS  20           HZ3      LYS  20 -15.775  -6.556  -4.707
  117    H    LEU  21           H        LEU  21 -13.602  -0.292  -5.049
  118    HA   LEU  21           HA       LEU  21 -13.381   2.490  -5.735
  119    HB2  LEU  21           HB2      LEU  21 -12.487  -0.061  -7.077
  120    HB3  LEU  21           HB1      LEU  21 -12.203   1.522  -7.805
  121    HG   LEU  21           HG       LEU  21 -11.477   1.243  -4.937
  122   HD11  LEU  21          1HD1      LEU  21 -10.719  -0.858  -6.390
  123   HD12  LEU  21          2HD1      LEU  21  -9.630  -0.113  -5.220
  124   HD13  LEU  21          3HD1      LEU  21  -9.478   0.269  -6.935
  125   HD21  LEU  21          3HD2      LEU  21 -10.282   3.093  -5.442
  126   HD22  LEU  21          1HD2      LEU  21 -11.079   3.072  -7.014
  127   HD23  LEU  21          2HD2      LEU  21  -9.509   2.294  -6.811
  128    H    ARG  22           H        ARG  22 -14.787   3.677  -6.922
  129    HA   ARG  22           HA       ARG  22 -17.000   2.393  -8.314
  130    HB2  ARG  22           HB2      ARG  22 -17.787   4.381  -7.514
  131    HB3  ARG  22           HB1      ARG  22 -16.210   5.155  -7.578
  132    HG2  ARG  22           HG2      ARG  22 -16.434   5.421 -10.021
  133    HG3  ARG  22           HG1      ARG  22 -18.005   4.621  -9.967
  134    HD2  ARG  22           HD2      ARG  22 -17.586   6.957  -8.156
  135    HD3  ARG  22           HD1      ARG  22 -17.787   7.286  -9.877
  136    HE   ARG  22           HE       ARG  22 -19.864   5.545  -9.271
  137   HH11  ARG  22          1HH1      ARG  22 -18.981   8.800  -8.963
  138   HH12  ARG  22          2HH1      ARG  22 -20.393   9.267  -8.075
  139   HH21  ARG  22          1HH2      ARG  22 -21.576   6.027  -7.737
  140   HH22  ARG  22          2HH2      ARG  22 -21.862   7.698  -7.381
  141    HA   PRO  23           HA       PRO  23 -14.741   4.067 -12.184
  142    HB2  PRO  23           HB2      PRO  23 -12.233   5.133 -11.829
  143    HB3  PRO  23           HB1      PRO  23 -13.724   6.090 -11.776
  144    HG2  PRO  23           HG2      PRO  23 -11.979   5.203  -9.524
  145    HG3  PRO  23           HG1      PRO  23 -13.040   6.617  -9.631
  146    HD2  PRO  23           HD2      PRO  23 -13.624   4.223  -8.257
  147    HD3  PRO  23           HD1      PRO  23 -14.794   5.489  -8.685
  148    H    GLY  24           H        GLY  24 -12.067   3.712 -13.036
  149    HA2  GLY  24           HA2      GLY  24 -11.739   0.812 -12.496
  150    HA3  GLY  24           HA1      GLY  24 -11.053   1.682 -13.865
  151    H    ALA  25           H        ALA  25 -10.832   2.983 -10.619
  152    HA   ALA  25           HA       ALA  25  -7.926   3.040 -10.807
  153    HB1  ALA  25           HB1      ALA  25  -8.138   3.916  -8.415
  154    HB2  ALA  25           HB2      ALA  25  -9.886   3.812  -8.630
  155    HB3  ALA  25           HB3      ALA  25  -8.931   4.881  -9.658
  156    H    GLN  26           H        GLN  26  -6.467   1.902  -9.364
  157    HA   GLN  26           HA       GLN  26  -7.397  -0.803  -8.741
  158    HB2  GLN  26           HB2      GLN  26  -4.860   0.521  -9.173
  159    HB3  GLN  26           HB1      GLN  26  -4.805  -0.448  -7.699
  160    HG2  GLN  26           HG2      GLN  26  -4.284  -2.084  -9.246
  161    HG3  GLN  26           HG1      GLN  26  -6.042  -2.226  -9.252
  162   HE21  GLN  26          1HE2      GLN  26  -3.668  -0.005 -10.844
  163   HE22  GLN  26          2HE2      GLN  26  -4.352  -0.153 -12.389
  164    H    CYS  27           H        CYS  27  -6.408   2.078  -6.920
  165    HA   CYS  27           HA       CYS  27  -7.719   0.920  -4.532
  166    HB2  CYS  27           HB2      CYS  27  -5.617   1.938  -3.245
  167    HB3  CYS  27           HB1      CYS  27  -5.614   0.278  -3.837
  168    H    GLY  28           H        GLY  28  -8.490   2.526  -3.085
  169    HA2  GLY  28           HA2      GLY  28  -8.609   5.233  -4.291
  170    HA3  GLY  28           HA1      GLY  28  -9.710   4.614  -3.067
  171    H    GLU  29           H        GLU  29  -7.418   3.542  -1.468
  172    HA   GLU  29           HA       GLU  29  -6.016   6.030  -0.702
  173    HB2  GLU  29           HB2      GLU  29  -6.817   6.042   1.527
  174    HB3  GLU  29           HB1      GLU  29  -8.248   5.855   0.527
  175    HG2  GLU  29           HG2      GLU  29  -8.695   4.099   1.904
  176    HG3  GLU  29           HG1      GLU  29  -7.534   3.248   0.887
  177    H    GLY  30           H        GLY  30  -4.093   5.638   0.463
  178    HA2  GLY  30           HA2      GLY  30  -3.142   3.509   1.849
  179    HA3  GLY  30           HA1      GLY  30  -3.052   2.899   0.196
  180    H    LEU  31           H        LEU  31  -0.716   3.265   1.720
  181    HA   LEU  31           HA       LEU  31   0.472   5.846   0.950
  182    HB2  LEU  31           HB2      LEU  31   1.126   3.673   2.777
  183    HB3  LEU  31           HB1      LEU  31   2.523   4.173   1.830
  184    HG   LEU  31           HG       LEU  31   2.226   6.483   2.505
  185   HD11  LEU  31          1HD1      LEU  31  -0.224   5.475   3.988
  186   HD12  LEU  31          2HD1      LEU  31  -0.244   6.484   2.542
  187   HD13  LEU  31          3HD1      LEU  31   0.406   7.121   4.051
  188   HD21  LEU  31          3HD2      LEU  31   3.509   5.179   4.068
  189   HD22  LEU  31          1HD2      LEU  31   2.049   4.484   4.774
  190   HD23  LEU  31          2HD2      LEU  31   2.422   6.191   5.020
  191    H    CYS  32           H        CYS  32  -0.339   3.409  -0.901
  192    HA   CYS  32           HA       CYS  32   2.093   3.695  -2.586
  193    HB2  CYS  32           HB2      CYS  32   0.697   1.037  -2.294
  194    HB3  CYS  32           HB1      CYS  32   2.290   1.369  -2.974
  195    H    CYS  33           H        CYS  33  -0.708   4.788  -2.601
  196    HA   CYS  33           HA       CYS  33  -1.517   3.679  -5.261
  197    HB2  CYS  33           HB2      CYS  33  -3.087   3.424  -3.167
  198    HB3  CYS  33           HB1      CYS  33  -3.459   5.119  -3.479
  199    H    GLU  34           H        GLU  34  -0.845   5.111  -6.768
  200    HA   GLU  34           HA       GLU  34  -1.102   8.028  -6.175
  201    HB2  GLU  34           HB2      GLU  34   1.170   7.454  -6.750
  202    HB3  GLU  34           HB1      GLU  34   0.637   6.509  -8.140
  203    HG2  GLU  34           HG2      GLU  34   1.388   8.599  -9.023
  204    HG3  GLU  34           HG1      GLU  34  -0.375   8.668  -9.054
  205    H    GLN  35           H        GLN  35  -2.727   9.076  -7.237
  206    HA   GLN  35           HA       GLN  35  -4.345   9.547  -8.880
  207    HB2  GLN  35           HB2      GLN  35  -2.214   8.647 -10.330
  208    HB3  GLN  35           HB1      GLN  35  -3.427   7.435 -10.742
  209    HG2  GLN  35           HG2      GLN  35  -4.889   9.750 -10.915
  210    HG3  GLN  35           HG1      GLN  35  -3.303  10.288 -11.471
  211   HE21  GLN  35          1HE2      GLN  35  -6.140   9.103 -12.670
  212   HE22  GLN  35          2HE2      GLN  35  -5.560   8.276 -14.035
  213    H    CYS  36           H        CYS  36  -4.366   7.248  -6.886
  214    HA   CYS  36           HA       CYS  36  -6.080   5.783  -6.211
  215    HB2  CYS  36           HB2      CYS  36  -7.388   7.233  -8.122
  216    HB3  CYS  36           HB1      CYS  36  -7.422   5.624  -8.830
  217    H    LYS  37           H        LYS  37  -3.849   5.394  -8.641
  218    HA   LYS  37           HA       LYS  37  -4.544   2.532  -9.076
  219    HB2  LYS  37           HB2      LYS  37  -3.066   4.578 -10.603
  220    HB3  LYS  37           HB1      LYS  37  -2.296   2.990 -10.577
  221    HG2  LYS  37           HG2      LYS  37  -4.364   1.942 -11.361
  222    HG3  LYS  37           HG1      LYS  37  -5.191   3.498 -11.317
  223    HD2  LYS  37           HD2      LYS  37  -3.011   4.109 -12.847
  224    HD3  LYS  37           HD1      LYS  37  -3.297   2.432 -13.313
  225    HE2  LYS  37           HE2      LYS  37  -5.809   3.841 -13.149
  226    HE3  LYS  37           HE1      LYS  37  -4.701   4.712 -14.208
  227    HZ1  LYS  37           HZ1      LYS  37  -6.162   2.508 -14.874
  228    HZ2  LYS  37           HZ2      LYS  37  -4.601   1.886 -14.616
  229    HZ3  LYS  37           HZ3      LYS  37  -4.846   3.133 -15.744
  230    H    PHE  38           H        PHE  38  -2.518   1.052  -9.058
  231    HA   PHE  38           HA       PHE  38  -1.258   1.350  -6.444
  232    HB2  PHE  38           HB2      PHE  38  -1.078  -0.701  -8.649
  233    HB3  PHE  38           HB1      PHE  38  -0.004  -0.762  -7.254
  234    HD1  PHE  38           HD1      PHE  38  -1.716   0.157  -5.066
  235    HD2  PHE  38           HD2      PHE  38  -2.626  -2.452  -8.354
  236    HE1  PHE  38           HE1      PHE  38  -3.503  -0.913  -3.722
  237    HE2  PHE  38           HE2      PHE  38  -4.413  -3.523  -7.009
  238    HZ   PHE  38           HZ       PHE  38  -4.853  -2.753  -4.693
  239    H    SER  39           H        SER  39   0.556   2.545  -6.123
  240    HA   SER  39           HA       SER  39   2.109   3.672  -8.239
  241    HB2  SER  39           HB2      SER  39   3.380   3.163  -5.573
  242    HB3  SER  39           HB1      SER  39   3.416   4.614  -6.571
  243    HG   SER  39           HG       SER  39   2.064   4.662  -4.611
  244    H    ARG  40           H        ARG  40   4.797   2.979  -7.328
  245    HA   ARG  40           HA       ARG  40   4.912   0.219  -8.468
  246    HB2  ARG  40           HB2      ARG  40   6.653   2.632  -8.717
  247    HB3  ARG  40           HB1      ARG  40   7.450   1.058  -8.721
  248    HG2  ARG  40           HG2      ARG  40   5.281   0.664 -10.402
  249    HG3  ARG  40           HG1      ARG  40   5.794   2.307 -10.788
  250    HD2  ARG  40           HD2      ARG  40   7.165   1.060 -12.201
  251    HD3  ARG  40           HD1      ARG  40   8.203   1.248 -10.787
  252    HE   ARG  40           HE       ARG  40   6.819  -1.106 -10.297
  253   HH11  ARG  40          1HH1      ARG  40   7.356  -0.556 -13.469
  254   HH12  ARG  40          2HH1      ARG  40   8.568  -1.772 -13.702
  255   HH21  ARG  40          1HH2      ARG  40   8.991  -2.376 -10.313
  256   HH22  ARG  40          2HH2      ARG  40   9.493  -2.802 -11.915
  257    H    ALA  41           H        ALA  41   6.695  -1.166  -7.578
  258    HA   ALA  41           HA       ALA  41   6.640  -1.165  -4.683
  259    HB1  ALA  41           HB1      ALA  41   7.703  -3.218  -4.838
  260    HB2  ALA  41           HB2      ALA  41   8.717  -2.708  -6.188
  261    HB3  ALA  41           HB3      ALA  41   7.025  -3.121  -6.463
  262    H    GLY  42           H        GLY  42   8.830  -1.318  -3.457
  263    HA2  GLY  42           HA2      GLY  42  10.866  -0.294  -2.849
  264    HA3  GLY  42           HA1      GLY  42  11.071   0.161  -4.540
  265    H    LYS  43           H        LYS  43   8.092   1.007  -2.943
  266    HA   LYS  43           HA       LYS  43   8.763   3.869  -3.317
  267    HB2  LYS  43           HB2      LYS  43   6.477   2.855  -3.841
  268    HB3  LYS  43           HB1      LYS  43   6.247   2.750  -2.098
  269    HG2  LYS  43           HG2      LYS  43   6.949   5.328  -3.504
  270    HG3  LYS  43           HG1      LYS  43   5.297   4.830  -3.150
  271    HD2  LYS  43           HD2      LYS  43   6.121   4.544  -0.714
  272    HD3  LYS  43           HD1      LYS  43   7.487   5.541  -1.219
  273    HE2  LYS  43           HE2      LYS  43   5.869   7.067  -0.357
  274    HE3  LYS  43           HE1      LYS  43   5.769   7.205  -2.111
  275    HZ1  LYS  43           HZ1      LYS  43   3.668   6.559  -2.047
  276    HZ2  LYS  43           HZ2      LYS  43   3.729   6.561  -0.350
  277    HZ3  LYS  43           HZ3      LYS  43   4.071   5.138  -1.212
  278    H    ILE  44           H        ILE  44   9.780   4.952  -1.721
  279    HA   ILE  44           HA       ILE  44  10.054   3.975   0.959
  280    HB   ILE  44           HB       ILE  44  11.502   5.664  -0.369
  281   HG12  ILE  44          2HG1      ILE  44  12.202   5.181   1.830
  282   HG13  ILE  44          1HG1      ILE  44  12.029   6.935   1.820
  283   HG21  ILE  44          1HG2      ILE  44  10.854   7.836  -0.547
  284   HG22  ILE  44          2HG2      ILE  44   9.956   7.806   0.971
  285   HG23  ILE  44          3HG2      ILE  44   9.247   7.114  -0.489
  286   HD11  ILE  44          3HD1      ILE  44   9.814   6.744   2.850
  287   HD12  ILE  44          1HD1      ILE  44  11.016   5.921   3.839
  288   HD13  ILE  44          2HD1      ILE  44   9.932   4.985   2.813
  289    H    CYS  45           H        CYS  45   7.540   3.585   0.887
  290    HA   CYS  45           HA       CYS  45   5.567   5.540   1.202
  291    HB2  CYS  45           HB2      CYS  45   4.571   3.820   2.892
  292    HB3  CYS  45           HB1      CYS  45   4.804   3.316   1.220
  293    H    ARG  46           H        ARG  46   8.100   4.615   3.406
  294    HA   ARG  46           HA       ARG  46   7.523   6.942   5.090
  295    HB2  ARG  46           HB2      ARG  46   6.173   4.647   5.767
  296    HB3  ARG  46           HB1      ARG  46   7.629   4.513   6.752
  297    HG2  ARG  46           HG2      ARG  46   6.420   7.206   6.706
  298    HG3  ARG  46           HG1      ARG  46   5.425   5.964   7.468
  299    HD2  ARG  46           HD2      ARG  46   7.998   5.459   8.427
  300    HD3  ARG  46           HD1      ARG  46   7.867   7.218   8.441
  301    HE   ARG  46           HE       ARG  46   5.639   6.766   9.705
  302   HH11  ARG  46          1HH2      ARG  46   8.583   6.241  10.891
  303   HH12  ARG  46          2HH2      ARG  46   8.188   4.935  11.957
  304   HH21  ARG  46          1HH1      ARG  46   5.043   4.422  10.589
  305   HH22  ARG  46          2HH1      ARG  46   6.182   3.905  11.787
  306    H    ILE  47           H        ILE  47   9.355   7.600   6.196
  307    HA   ILE  47           HA       ILE  47  11.874   6.343   5.494
  308    HB   ILE  47           HB       ILE  47  11.467   8.832   5.920
  309   HG12  ILE  47          2HG1      ILE  47  13.695   8.300   7.705
  310   HG13  ILE  47          1HG1      ILE  47  13.721   7.201   6.324
  311   HG21  ILE  47          1HG2      ILE  47  12.101   8.586   8.752
  312   HG22  ILE  47          2HG2      ILE  47  10.542   7.856   8.372
  313   HG23  ILE  47          3HG2      ILE  47  10.846   9.546   7.968
  314   HD11  ILE  47          3HD1      ILE  47  13.503  10.222   6.169
  315   HD12  ILE  47          1HD1      ILE  47  13.514   9.125   4.788
  316   HD13  ILE  47          2HD1      ILE  47  14.946   9.276   5.808
  317    H    ALA  48           H        ALA  48  13.284   5.195   6.888
  318    HA   ALA  48           HA       ALA  48  11.960   3.668   8.992
  319    HB1  ALA  48           HB1      ALA  48  14.303   3.393   7.377
  320    HB2  ALA  48           HB2      ALA  48  13.575   2.197   8.450
  321    HB3  ALA  48           HB3      ALA  48  14.795   3.309   9.069
  322    H    ARG  49           H        ARG  49  12.255   3.870  11.207
  323    HA   ARG  49           HA       ARG  49  13.341   6.431  12.149
  324    HB2  ARG  49           HB2      ARG  49  12.080   4.092  13.615
  325    HB3  ARG  49           HB1      ARG  49  12.562   5.605  14.383
  326    HG2  ARG  49           HG2      ARG  49  11.048   6.378  12.150
  327    HG3  ARG  49           HG1      ARG  49  10.169   5.018  12.851
  328    HD2  ARG  49           HD2      ARG  49  10.789   6.354  15.113
  329    HD3  ARG  49           HD1      ARG  49  10.711   7.710  13.987
  330    HE   ARG  49           HE       ARG  49   8.441   5.782  14.274
  331   HH11  ARG  49          1HH1      ARG  49   8.909   8.433  15.917
  332   HH12  ARG  49          2HH1      ARG  49   7.777   9.466  15.109
  333   HH21  ARG  49          1HH2      ARG  49   7.349   7.326  12.413
  334   HH22  ARG  49          2HH2      ARG  49   6.894   8.838  13.124
  335    H    GLY  50           H        GLY  50  15.540   6.542  12.356
  336    HA2  GLY  50           HA2      GLY  50  17.326   5.746  14.015
  337    HA3  GLY  50           HA1      GLY  50  16.946   4.129  13.429
  338    H    ASP  51           H        ASP  51  17.943   3.423  11.579
  339    HA   ASP  51           HA       ASP  51  18.943   5.155   9.512
  340    HB2  ASP  51           HB2      ASP  51  21.349   4.894   9.913
  341    HB3  ASP  51           HB1      ASP  51  20.592   5.701  11.286
  342    H    TRP  52           H        TRP  52  17.390   2.946   9.312
  343    HA   TRP  52           HA       TRP  52  19.253   0.945   8.113
  344    HB2  TRP  52           HB2      TRP  52  17.113  -0.603   8.809
  345    HB3  TRP  52           HB1      TRP  52  18.571  -0.447   9.786
  346    HD1  TRP  52           HD       TRP  52  15.253   1.520   9.368
  347    HE1  TRP  52           HE1      TRP  52  14.467   2.264  11.707
  348    HE3  TRP  52           HE3      TRP  52  19.076  -0.313  12.200
  349    HZ2  TRP  52           HZ2      TRP  52  15.351   2.102  14.428
  350    HZ3  TRP  52           HZ3      TRP  52  19.085   0.004  14.659
  351    HH2  TRP  52           HH       TRP  52  17.229   1.206  15.774
  352    H    ASN  53           H        ASN  53  17.373  -0.714   6.952
  353    HA   ASN  53           HA       ASN  53  16.681   0.595   4.568
  354    HB2  ASN  53           HB2      ASN  53  15.811  -1.912   5.921
  355    HB3  ASN  53           HB1      ASN  53  14.783  -1.315   4.618
  356   HD21  ASN  53          1HD2      ASN  53  15.480  -3.167   3.262
  357   HD22  ASN  53          2HD2      ASN  53  17.013  -3.163   2.533
  358    H    ASP  54           H        ASP  54  14.847   1.713   3.865
  359    HA   ASP  54           HA       ASP  54  13.096   2.756   6.004
  360    HB2  ASP  54           HB2      ASP  54  12.691   3.522   3.147
  361    HB3  ASP  54           HB1      ASP  54  12.649   4.527   4.596
  362    H    ASP  55           H        ASP  55  10.710   3.173   4.717
  363    HA   ASP  55           HA       ASP  55   9.706   0.397   4.454
  364    HB2  ASP  55           HB2      ASP  55   8.151   3.000   4.559
  365    HB3  ASP  55           HB1      ASP  55   7.495   1.372   4.738
  366    H    ARG  56           H        ARG  56   9.667  -0.420   2.417
  367    HA   ARG  56           HA       ARG  56   9.289   1.459   0.127
  368    HB2  ARG  56           HB2      ARG  56  10.464  -1.318   0.341
  369    HB3  ARG  56           HB1      ARG  56  10.117  -0.547  -1.204
  370    HG2  ARG  56           HG2      ARG  56  11.826   0.747   0.932
  371    HG3  ARG  56           HG1      ARG  56  12.497  -0.247  -0.361
  372    HD2  ARG  56           HD2      ARG  56  11.896   1.279  -2.027
  373    HD3  ARG  56           HD1      ARG  56  10.641   2.019  -1.035
  374    HE   ARG  56           HE       ARG  56  12.284   3.461  -0.164
  375   HH11  ARG  56          1HH1      ARG  56  13.846   2.563  -2.707
  376   HH12  ARG  56          2HH1      ARG  56  15.402   2.260  -2.008
  377   HH21  ARG  56          1HH2      ARG  56  14.225   2.228   1.253
  378   HH22  ARG  56          2HH2      ARG  56  15.616   2.071   0.234
  379    H    CYS  57           H        CYS  57   7.421   1.266  -1.152
  380    HA   CYS  57           HA       CYS  57   5.278  -0.458  -0.214
  381    HB2  CYS  57           HB2      CYS  57   5.567   1.272  -2.668
  382    HB3  CYS  57           HB1      CYS  57   4.166   0.247  -2.412
  383    H    THR  58           H        THR  58   4.301  -2.174  -1.447
  384    HA   THR  58           HA       THR  58   6.243  -3.973  -2.630
  385    HB   THR  58           HB       THR  58   4.610  -5.576  -2.476
  386    HG1  THR  58           HG1      THR  58   2.894  -5.324  -3.623
  387   HG21  THR  58          3HG2      THR  58   2.791  -3.883  -0.923
  388   HG22  THR  58          1HG2      THR  58   4.478  -3.725  -0.440
  389   HG23  THR  58          2HG2      THR  58   3.704  -5.307  -0.425
  390    H    GLY  59           H        GLY  59   4.025  -1.587  -3.835
  391    HA2  GLY  59           HA2      GLY  59   4.181  -0.662  -6.051
  392    HA3  GLY  59           HA1      GLY  59   4.990  -2.136  -6.584
  393    H    GLN  60           H        GLN  60   2.864  -3.752  -5.127
  394    HA   GLN  60           HA       GLN  60   0.738  -3.410  -7.204
  395    HB2  GLN  60           HB2      GLN  60   1.471  -5.933  -5.689
  396    HB3  GLN  60           HB1      GLN  60   0.333  -5.800  -7.030
  397    HG2  GLN  60           HG2      GLN  60   3.149  -4.851  -7.426
  398    HG3  GLN  60           HG1      GLN  60   2.820  -6.583  -7.469
  399   HE21  GLN  60          1HE2      GLN  60   2.441  -3.579  -9.222
  400   HE22  GLN  60          2HE2      GLN  60   1.660  -4.239 -10.577
  401    H    SER  61           H        SER  61   1.420  -3.295  -3.855
  402    HA   SER  61           HA       SER  61  -1.475  -3.620  -3.192
  403    HB2  SER  61           HB2      SER  61  -0.033  -5.037  -1.848
  404    HB3  SER  61           HB1      SER  61   1.003  -3.670  -1.445
  405    HG   SER  61           HG       SER  61  -0.302  -3.404   0.174
  406    H    ALA  62           H        ALA  62  -2.468  -1.991  -1.829
  407    HA   ALA  62           HA       ALA  62  -1.447   0.712  -2.407
  408    HB1  ALA  62           HB1      ALA  62  -3.746   0.711  -0.674
  409    HB2  ALA  62           HB2      ALA  62  -4.008  -0.440  -1.984
  410    HB3  ALA  62           HB3      ALA  62  -3.634   1.244  -2.351
  411    H    ASP  63           H        ASP  63  -1.844  -1.457   0.342
  412    HA   ASP  63           HA       ASP  63  -1.021   0.625   2.252
  413    HB2  ASP  63           HB2      ASP  63  -2.169  -2.063   2.385
  414    HB3  ASP  63           HB1      ASP  63  -0.869  -1.831   3.554
  415    H    CYS  64           H        CYS  64   1.043   0.949   2.913
  416    HA   CYS  64           HA       CYS  64   3.203  -0.504   1.590
  417    HB2  CYS  64           HB2      CYS  64   3.735   1.754   1.864
  418    HB3  CYS  64           HB1      CYS  64   2.983   1.845   3.451
  419    HA   PRO  65           HA       PRO  65   3.676  -3.511   4.751
  420    HB2  PRO  65           HB2      PRO  65   5.999  -4.544   3.748
  421    HB3  PRO  65           HB1      PRO  65   4.415  -4.919   3.071
  422    HG2  PRO  65           HG2      PRO  65   6.569  -3.165   2.006
  423    HG3  PRO  65           HG1      PRO  65   5.297  -4.037   1.139
  424    HD2  PRO  65           HD2      PRO  65   5.294  -1.281   1.733
  425    HD3  PRO  65           HD1      PRO  65   3.896  -2.229   1.189
  426    H    ARG  66           H        ARG  66   4.973  -3.704   6.659
  427    HA   ARG  66           HA       ARG  66   6.716  -1.421   7.229
  428    HB2  ARG  66           HB2      ARG  66   5.162  -2.460   8.928
  429    HB3  ARG  66           HB1      ARG  66   6.217  -3.875   8.941
  430    HG2  ARG  66           HG2      ARG  66   7.415  -2.808  10.531
  431    HG3  ARG  66           HG1      ARG  66   7.980  -1.742   9.244
  432    HD2  ARG  66           HD2      ARG  66   5.697  -1.301  11.170
  433    HD3  ARG  66           HD1      ARG  66   7.099  -0.271  10.882
  434    HE   ARG  66           HE       ARG  66   5.859  -0.263   8.437
  435   HH11  ARG  66          1HH1      ARG  66   5.154   0.656  11.663
  436   HH12  ARG  66          2HH1      ARG  66   3.726   1.545  11.249
  437   HH21  ARG  66          1HH2      ARG  66   3.848   0.692   7.890
  438   HH22  ARG  66          2HH2      ARG  66   2.986   1.564   9.114
  439    H    ASN  67           H        ASN  67   8.705  -1.516   6.242
  440    HA   ASN  67           HA       ASN  67  10.116  -4.127   6.129
  441    HB2  ASN  67           HB2      ASN  67   9.965  -2.637   4.095
  442    HB3  ASN  67           HB1      ASN  67  10.979  -1.473   4.947
  443   HD21  ASN  67          1HD2      ASN  67  10.963  -4.912   3.878
  444   HD22  ASN  67          2HD2      ASN  67  12.646  -5.019   3.698
  445    H    GLY  68           H        GLY  68   9.864  -1.594   8.259
  446    HA2  GLY  68           HA2      GLY  68  12.625  -1.138   8.948
  447    HA3  GLY  68           HA1      GLY  68  11.242  -0.793   9.987
  448    H    LEU  69           H        LEU  69  13.164  -1.722  11.459
  449    HA   LEU  69           HA       LEU  69  13.130  -4.683  11.516
  450    HB2  LEU  69           HB2      LEU  69  14.597  -2.711  13.297
  451    HB3  LEU  69           HB1      LEU  69  14.844  -4.456  13.259
  452    HG   LEU  69           HG       LEU  69  15.039  -3.435  10.582
  453   HD11  LEU  69          1HD1      LEU  69  17.384  -2.286  11.632
  454   HD12  LEU  69          2HD1      LEU  69  16.070  -1.658  12.627
  455   HD13  LEU  69          3HD1      LEU  69  16.036  -1.436  10.878
  456   HD21  LEU  69          3HD2      LEU  69  17.576  -4.194  11.464
  457   HD22  LEU  69          1HD2      LEU  69  16.373  -5.256  10.729
  458   HD23  LEU  69          2HD2      LEU  69  16.476  -5.121  12.485
  459    H    TYR  70           H        TYR  70  10.647  -3.375  12.079
  460    HA   TYR  70           HA       TYR  70  10.256  -4.328  14.867
  461    HB2  TYR  70           HB2      TYR  70   9.095  -1.722  13.846
  462    HB3  TYR  70           HB1      TYR  70   8.981  -2.369  15.483
  463    HD1  TYR  70           HD1      TYR  70  11.140  -2.709  16.810
  464    HD2  TYR  70           HD2      TYR  70  10.947  -0.404  13.191
  465    HE1  TYR  70           HE1      TYR  70  13.280  -1.603  17.401
  466    HE2  TYR  70           HE2      TYR  70  13.086   0.704  13.782
  467    HH   TYR  70           HH       TYR  70  15.214  -0.410  15.875
  468    H    GLY  71           H        GLY  71   7.785  -4.459  15.305
  469    HA2  GLY  71           HA2      GLY  71   6.582  -6.140  13.358
  470    HA3  GLY  71           HA1      GLY  71   5.715  -5.375  14.689
  Start of MODEL   13
    1    H    GLY   1           HT1      GLY   1 -19.165  -9.384   5.564
    2    HA2  GLY   1           HA1      GLY   1 -18.440  -9.823   3.478
    3    HA3  GLY   1           HA2      GLY   1 -19.432  -8.402   3.149
    4    H    LYS   2           H        LYS   2 -16.637  -9.615   2.221
    5    HA   LYS   2           HA       LYS   2 -14.846  -7.346   2.698
    6    HB2  LYS   2           HB2      LYS   2 -14.609 -10.038   1.720
    7    HB3  LYS   2           HB1      LYS   2 -13.914  -8.935   0.531
    8    HG2  LYS   2           HG2      LYS   2 -12.099  -9.302   1.956
    9    HG3  LYS   2           HG1      LYS   2 -12.787  -7.822   2.625
   10    HD2  LYS   2           HD2      LYS   2 -14.234  -9.766   3.929
   11    HD3  LYS   2           HD1      LYS   2 -12.645 -10.518   3.795
   12    HE2  LYS   2           HE2      LYS   2 -12.113  -9.302   5.633
   13    HE3  LYS   2           HE1      LYS   2 -12.007  -7.937   4.522
   14    HZ1  LYS   2           HZ1      LYS   2 -13.495  -7.656   6.526
   15    HZ2  LYS   2           HZ2      LYS   2 -14.559  -8.750   5.779
   16    HZ3  LYS   2           HZ3      LYS   2 -14.182  -7.276   5.022
   17    H    GLU   3           H        GLU   3 -17.023  -6.190   1.656
   18    HA   GLU   3           HA       GLU   3 -16.426  -5.823  -1.251
   19    HB2  GLU   3           HB2      GLU   3 -18.929  -5.924   0.312
   20    HB3  GLU   3           HB1      GLU   3 -18.852  -4.614  -0.867
   21    HG2  GLU   3           HG2      GLU   3 -17.827  -7.121  -1.954
   22    HG3  GLU   3           HG1      GLU   3 -19.500  -7.270  -1.413
   23    H    CYS   4           H        CYS   4 -15.243  -4.498   1.271
   24    HA   CYS   4           HA       CYS   4 -15.936  -1.684   0.543
   25    HB2  CYS   4           HB2      CYS   4 -15.317  -3.020   3.108
   26    HB3  CYS   4           HB1      CYS   4 -14.532  -1.460   2.875
   27    H    ASP   5           H        ASP   5 -14.405  -0.757  -0.735
   28    HA   ASP   5           HA       ASP   5 -11.636  -1.824  -0.655
   29    HB2  ASP   5           HB2      ASP   5 -13.037  -1.312  -2.819
   30    HB3  ASP   5           HB1      ASP   5 -12.554   0.358  -2.513
   31    H    CYS   6           H        CYS   6 -13.502   0.829   0.478
   32    HA   CYS   6           HA       CYS   6 -10.983   2.194   1.325
   33    HB2  CYS   6           HB2      CYS   6 -12.064   4.366   0.979
   34    HB3  CYS   6           HB1      CYS   6 -12.066   3.453  -0.530
   35    H    SER   7           H        SER   7 -11.441   3.687   3.246
   36    HA   SER   7           HA       SER   7 -13.413   2.335   5.038
   37    HB2  SER   7           HB2      SER   7 -12.028   3.189   6.896
   38    HB3  SER   7           HB1      SER   7 -11.070   2.212   5.789
   39    HG   SER   7           HG       SER   7  -9.870   3.982   5.945
   40    H    SER   8           H        SER   8 -13.246   4.995   3.144
   41    HA   SER   8           HA       SER   8 -14.840   6.614   5.087
   42    HB2  SER   8           HB2      SER   8 -13.787   8.262   2.994
   43    HB3  SER   8           HB1      SER   8 -13.466   8.355   4.723
   44    HG   SER   8           HG       SER   8 -11.607   7.445   4.382
   45    HA   PRO   9           HA       PRO   9 -17.940   6.126   1.942
   46    HB2  PRO   9           HB2      PRO   9 -19.842   7.679   3.175
   47    HB3  PRO   9           HB1      PRO   9 -19.470   6.016   3.663
   48    HG2  PRO   9           HG2      PRO   9 -18.757   8.571   5.019
   49    HG3  PRO   9           HG1      PRO   9 -18.950   6.951   5.708
   50    HD2  PRO   9           HD2      PRO   9 -16.488   8.237   5.113
   51    HD3  PRO   9           HD1      PRO   9 -16.706   6.525   5.536
   52    H    GLU  10           H        GLU  10 -16.539   9.132   2.961
   53    HA   GLU  10           HA       GLU  10 -17.965  10.732   0.947
   54    HB2  GLU  10           HB2      GLU  10 -15.752  11.341   2.916
   55    HB3  GLU  10           HB1      GLU  10 -16.308  12.518   1.724
   56    HG2  GLU  10           HG2      GLU  10 -18.686  11.672   2.766
   57    HG3  GLU  10           HG1      GLU  10 -17.639  11.554   4.180
   58    H    ASN  11           H        ASN  11 -15.305   8.649   0.983
   59    HA   ASN  11           HA       ASN  11 -13.586  10.012  -0.888
   60    HB2  ASN  11           HB2      ASN  11 -13.049   7.998   0.653
   61    HB3  ASN  11           HB1      ASN  11 -13.776   7.016  -0.619
   62   HD21  ASN  11          1HD2      ASN  11 -11.030   6.691  -0.060
   63   HD22  ASN  11          2HD2      ASN  11 -10.116   7.319  -1.346
   64    HA   PRO  12           HA       PRO  12 -16.319   9.226  -4.349
   65    HB2  PRO  12           HB2      PRO  12 -14.852  10.702  -6.147
   66    HB3  PRO  12           HB1      PRO  12 -15.988  11.414  -4.988
   67    HG2  PRO  12           HG2      PRO  12 -13.007  11.403  -4.927
   68    HG3  PRO  12           HG1      PRO  12 -14.140  12.565  -4.217
   69    HD2  PRO  12           HD2      PRO  12 -12.766  10.529  -2.815
   70    HD3  PRO  12           HD1      PRO  12 -14.145  11.468  -2.204
   71    H    CYS  13           H        CYS  13 -12.992   8.393  -3.976
   72    HA   CYS  13           HA       CYS  13 -12.625   7.134  -6.563
   73    HB2  CYS  13           HB2      CYS  13 -11.092   7.486  -4.098
   74    HB3  CYS  13           HB1      CYS  13 -10.873   5.881  -4.799
   75    H    CYS  14           H        CYS  14 -14.254   6.271  -3.667
   76    HA   CYS  14           HA       CYS  14 -14.586   3.497  -4.727
   77    HB2  CYS  14           HB2      CYS  14 -14.645   2.646  -2.440
   78    HB3  CYS  14           HB1      CYS  14 -13.139   3.530  -2.690
   79    H    ASP  15           H        ASP  15 -16.650   3.210  -5.305
   80    HA   ASP  15           HA       ASP  15 -18.786   4.963  -4.894
   81    HB2  ASP  15           HB2      ASP  15 -18.498   2.660  -6.261
   82    HB3  ASP  15           HB1      ASP  15 -19.419   2.061  -4.889
   83    H    ALA  16           H        ALA  16 -19.971   5.485  -3.120
   84    HA   ALA  16           HA       ALA  16 -19.431   4.302  -0.548
   85    HB1  ALA  16           HB1      ALA  16 -21.235   6.393  -1.634
   86    HB2  ALA  16           HB2      ALA  16 -20.222   6.421  -0.192
   87    HB3  ALA  16           HB3      ALA  16 -21.785   5.604  -0.157
   88    H    ALA  17           H        ALA  17 -21.908   3.812  -3.013
   89    HA   ALA  17           HA       ALA  17 -23.741   2.267  -1.483
   90    HB1  ALA  17           HB1      ALA  17 -24.336   1.233  -3.720
   91    HB2  ALA  17           HB2      ALA  17 -23.004   2.152  -4.422
   92    HB3  ALA  17           HB3      ALA  17 -24.372   2.997  -3.697
   93    H    THR  18           H        THR  18 -21.378   0.942  -3.831
   94    HA   THR  18           HA       THR  18 -21.423  -1.635  -2.448
   95    HB   THR  18           HB       THR  18 -21.171  -1.739  -4.829
   96    HG1  THR  18           HG1      THR  18 -19.783  -3.247  -4.467
   97   HG21  THR  18          3HG2      THR  18 -19.099  -0.637  -5.870
   98   HG22  THR  18          1HG2      THR  18 -18.989   0.294  -4.378
   99   HG23  THR  18          2HG2      THR  18 -20.418   0.435  -5.401
  100    H    CYS  19           H        CYS  19 -19.846   1.271  -1.894
  101    HA   CYS  19           HA       CYS  19 -18.024   1.844  -0.522
  102    HB2  CYS  19           HB2      CYS  19 -19.238   0.370   1.063
  103    HB3  CYS  19           HB1      CYS  19 -18.379  -1.024   0.409
  104    H    LYS  20           H        LYS  20 -17.577   0.561  -3.208
  105    HA   LYS  20           HA       LYS  20 -14.772  -0.323  -2.676
  106    HB2  LYS  20           HB2      LYS  20 -16.854  -1.602  -4.429
  107    HB3  LYS  20           HB1      LYS  20 -15.138  -1.802  -4.784
  108    HG2  LYS  20           HG2      LYS  20 -15.537  -2.217  -1.980
  109    HG3  LYS  20           HG1      LYS  20 -16.706  -3.203  -2.860
  110    HD2  LYS  20           HD2      LYS  20 -15.102  -4.596  -3.633
  111    HD3  LYS  20           HD1      LYS  20 -14.045  -3.256  -4.079
  112    HE2  LYS  20           HE2      LYS  20 -13.293  -3.030  -1.767
  113    HE3  LYS  20           HE1      LYS  20 -14.416  -4.288  -1.252
  114    HZ1  LYS  20           HZ1      LYS  20 -13.254  -5.864  -2.650
  115    HZ2  LYS  20           HZ2      LYS  20 -12.171  -5.146  -1.556
  116    HZ3  LYS  20           HZ3      LYS  20 -12.190  -4.656  -3.183
  117    H    LEU  21           H        LEU  21 -13.535  -0.291  -4.908
  118    HA   LEU  21           HA       LEU  21 -13.481   2.417  -5.805
  119    HB2  LEU  21           HB2      LEU  21 -12.206  -0.144  -6.683
  120    HB3  LEU  21           HB1      LEU  21 -12.124   1.249  -7.762
  121    HG   LEU  21           HG       LEU  21 -11.536   1.940  -4.979
  122   HD11  LEU  21          1HD1      LEU  21 -10.555  -0.534  -5.721
  123   HD12  LEU  21          2HD1      LEU  21  -9.839   0.515  -4.498
  124   HD13  LEU  21          3HD1      LEU  21  -9.231   0.548  -6.153
  125   HD21  LEU  21          3HD2      LEU  21 -10.877   3.585  -6.448
  126   HD22  LEU  21          1HD2      LEU  21 -10.519   2.435  -7.736
  127   HD23  LEU  21          2HD2      LEU  21  -9.375   2.660  -6.414
  128    H    ARG  22           H        ARG  22 -14.912   3.405  -7.136
  129    HA   ARG  22           HA       ARG  22 -16.694   1.772  -8.816
  130    HB2  ARG  22           HB2      ARG  22 -17.857   3.517  -7.755
  131    HB3  ARG  22           HB1      ARG  22 -16.590   4.693  -8.079
  132    HG2  ARG  22           HG2      ARG  22 -17.900   3.404 -10.431
  133    HG3  ARG  22           HG1      ARG  22 -18.835   4.603  -9.535
  134    HD2  ARG  22           HD2      ARG  22 -16.423   5.866  -9.723
  135    HD3  ARG  22           HD1      ARG  22 -16.447   4.965 -11.239
  136    HE   ARG  22           HE       ARG  22 -18.846   6.570 -10.561
  137   HH11  ARG  22          1HH2      ARG  22 -15.743   6.731 -11.951
  138   HH12  ARG  22          2HH2      ARG  22 -16.258   7.564 -13.379
  139   HH21  ARG  22          1HH1      ARG  22 -19.631   7.360 -12.602
  140   HH22  ARG  22          2HH1      ARG  22 -18.458   7.920 -13.747
  141    HA   PRO  23           HA       PRO  23 -14.403   4.254 -12.196
  142    HB2  PRO  23           HB2      PRO  23 -12.116   5.592 -11.468
  143    HB3  PRO  23           HB1      PRO  23 -13.729   6.326 -11.450
  144    HG2  PRO  23           HG2      PRO  23 -12.053   5.428  -9.160
  145    HG3  PRO  23           HG1      PRO  23 -13.336   6.649  -9.201
  146    HD2  PRO  23           HD2      PRO  23 -13.568   3.996  -8.219
  147    HD3  PRO  23           HD1      PRO  23 -14.900   5.134  -8.506
  148    H    GLY  24           H        GLY  24 -11.788   4.274 -13.000
  149    HA2  GLY  24           HA2      GLY  24 -11.032   1.438 -12.710
  150    HA3  GLY  24           HA1      GLY  24 -10.338   2.584 -13.858
  151    H    ALA  25           H        ALA  25 -10.690   2.919 -10.332
  152    HA   ALA  25           HA       ALA  25  -7.788   3.522 -10.183
  153    HB1  ALA  25           HB1      ALA  25 -10.191   4.158  -8.548
  154    HB2  ALA  25           HB2      ALA  25  -8.795   5.165  -8.934
  155    HB3  ALA  25           HB3      ALA  25  -8.679   3.945  -7.666
  156    H    GLN  26           H        GLN  26  -6.352   2.204  -9.067
  157    HA   GLN  26           HA       GLN  26  -7.291  -0.488  -8.381
  158    HB2  GLN  26           HB2      GLN  26  -4.873   0.598  -9.263
  159    HB3  GLN  26           HB1      GLN  26  -4.554   0.128  -7.593
  160    HG2  GLN  26           HG2      GLN  26  -4.289  -1.976  -8.364
  161    HG3  GLN  26           HG1      GLN  26  -6.035  -2.000  -8.612
  162   HE21  GLN  26          1HE2      GLN  26  -4.081  -3.391 -10.311
  163   HE22  GLN  26          2HE2      GLN  26  -4.212  -2.718 -11.863
  164    H    CYS  27           H        CYS  27  -7.187   2.429  -6.748
  165    HA   CYS  27           HA       CYS  27  -7.804   1.206  -4.213
  166    HB2  CYS  27           HB2      CYS  27  -5.607   0.815  -3.656
  167    HB3  CYS  27           HB1      CYS  27  -4.994   2.038  -4.760
  168    H    GLY  28           H        GLY  28  -8.965   2.658  -3.023
  169    HA2  GLY  28           HA2      GLY  28  -9.206   5.405  -4.098
  170    HA3  GLY  28           HA1      GLY  28 -10.297   4.661  -2.931
  171    H    GLU  29           H        GLU  29  -8.028   3.631  -1.361
  172    HA   GLU  29           HA       GLU  29  -6.695   6.078  -0.394
  173    HB2  GLU  29           HB2      GLU  29  -7.557   5.940   1.808
  174    HB3  GLU  29           HB1      GLU  29  -8.964   5.768   0.770
  175    HG2  GLU  29           HG2      GLU  29  -9.396   3.895   1.969
  176    HG3  GLU  29           HG1      GLU  29  -8.113   3.164   1.005
  177    H    GLY  30           H        GLY  30  -4.719   5.590   0.631
  178    HA2  GLY  30           HA2      GLY  30  -3.859   3.286   1.876
  179    HA3  GLY  30           HA1      GLY  30  -3.698   2.892   0.163
  180    H    LEU  31           H        LEU  31  -1.441   3.035   1.821
  181    HA   LEU  31           HA       LEU  31  -0.180   5.637   1.687
  182    HB2  LEU  31           HB2      LEU  31   0.487   2.977   2.659
  183    HB3  LEU  31           HB1      LEU  31   1.854   3.720   1.830
  184    HG   LEU  31           HG       LEU  31   1.953   4.372   4.159
  185   HD11  LEU  31          1HD1      LEU  31   2.176   6.678   3.861
  186   HD12  LEU  31          2HD1      LEU  31   0.738   6.786   2.847
  187   HD13  LEU  31          3HD1      LEU  31   2.226   6.097   2.196
  188   HD21  LEU  31          3HD2      LEU  31  -0.127   4.159   5.130
  189   HD22  LEU  31          1HD2      LEU  31  -0.967   4.809   3.721
  190   HD23  LEU  31          2HD2      LEU  31  -0.147   5.899   4.841
  191    H    CYS  32           H        CYS  32   0.115   2.659  -0.253
  192    HA   CYS  32           HA       CYS  32   1.820   4.109  -2.194
  193    HB2  CYS  32           HB2      CYS  32   2.406   1.783  -1.514
  194    HB3  CYS  32           HB1      CYS  32   0.882   1.226  -2.205
  195    H    CYS  33           H        CYS  33  -0.634   5.264  -2.196
  196    HA   CYS  33           HA       CYS  33  -1.920   4.124  -4.642
  197    HB2  CYS  33           HB2      CYS  33  -3.205   5.598  -2.332
  198    HB3  CYS  33           HB1      CYS  33  -4.043   5.147  -3.815
  199    H    GLU  34           H        GLU  34  -0.704   5.459  -6.065
  200    HA   GLU  34           HA       GLU  34  -0.814   8.387  -5.671
  201    HB2  GLU  34           HB2      GLU  34   1.268   7.153  -6.508
  202    HB3  GLU  34           HB1      GLU  34   0.388   6.890  -8.014
  203    HG2  GLU  34           HG2      GLU  34   0.413   9.132  -8.587
  204    HG3  GLU  34           HG1      GLU  34   0.489   9.668  -6.908
  205    H    GLN  35           H        GLN  35  -2.659   9.359  -6.355
  206    HA   GLN  35           HA       GLN  35  -4.452   9.926  -7.755
  207    HB2  GLN  35           HB2      GLN  35  -3.088   8.171  -9.817
  208    HB3  GLN  35           HB1      GLN  35  -4.278   9.436 -10.122
  209    HG2  GLN  35           HG2      GLN  35  -2.577  11.005  -8.930
  210    HG3  GLN  35           HG1      GLN  35  -1.409   9.722  -9.250
  211   HE21  GLN  35          1HE2      GLN  35  -1.610  12.475 -10.499
  212   HE22  GLN  35          2HE2      GLN  35  -1.717  12.193 -12.169
  213    H    CYS  36           H        CYS  36  -4.501   7.622  -5.992
  214    HA   CYS  36           HA       CYS  36  -5.943   5.846  -5.497
  215    HB2  CYS  36           HB2      CYS  36  -7.319   7.190  -7.798
  216    HB3  CYS  36           HB1      CYS  36  -7.894   5.608  -7.266
  217    H    LYS  37           H        LYS  37  -3.551   5.435  -7.094
  218    HA   LYS  37           HA       LYS  37  -4.372   2.901  -8.434
  219    HB2  LYS  37           HB2      LYS  37  -3.439   5.192  -9.794
  220    HB3  LYS  37           HB1      LYS  37  -2.074   4.077  -9.745
  221    HG2  LYS  37           HG2      LYS  37  -4.543   2.669 -10.342
  222    HG3  LYS  37           HG1      LYS  37  -4.259   3.967 -11.503
  223    HD2  LYS  37           HD2      LYS  37  -1.800   3.025 -11.519
  224    HD3  LYS  37           HD1      LYS  37  -2.565   1.560 -10.906
  225    HE2  LYS  37           HE2      LYS  37  -3.206   1.038 -12.997
  226    HE3  LYS  37           HE1      LYS  37  -4.175   2.510 -13.050
  227    HZ1  LYS  37           HZ1      LYS  37  -1.324   2.216 -13.809
  228    HZ2  LYS  37           HZ2      LYS  37  -2.116   3.713 -13.678
  229    HZ3  LYS  37           HZ3      LYS  37  -2.625   2.577 -14.835
  230    H    PHE  38           H        PHE  38  -2.484   1.373  -8.606
  231    HA   PHE  38           HA       PHE  38  -0.952   1.420  -6.121
  232    HB2  PHE  38           HB2      PHE  38  -0.967  -0.455  -8.496
  233    HB3  PHE  38           HB1      PHE  38   0.091  -0.679  -7.109
  234    HD1  PHE  38           HD2      PHE  38  -2.579   0.797  -5.593
  235    HD2  PHE  38           HD1      PHE  38  -1.620  -2.870  -7.617
  236    HE1  PHE  38           HE2      PHE  38  -4.395  -0.357  -4.372
  237    HE2  PHE  38           HE1      PHE  38  -3.442  -4.020  -6.392
  238    HZ   PHE  38           HZ       PHE  38  -4.831  -2.762  -4.768
  239    H    SER  39           H        SER  39   0.733   2.866  -6.031
  240    HA   SER  39           HA       SER  39   2.216   3.779  -8.295
  241    HB2  SER  39           HB2      SER  39   3.583   3.574  -5.646
  242    HB3  SER  39           HB1      SER  39   3.525   4.926  -6.774
  243    HG   SER  39           HG       SER  39   2.254   5.322  -4.925
  244    H    ARG  40           H        ARG  40   4.885   3.295  -7.922
  245    HA   ARG  40           HA       ARG  40   5.042   0.447  -8.667
  246    HB2  ARG  40           HB2      ARG  40   7.010   2.745  -8.722
  247    HB3  ARG  40           HB1      ARG  40   7.511   1.085  -9.048
  248    HG2  ARG  40           HG2      ARG  40   6.201   0.933 -10.989
  249    HG3  ARG  40           HG1      ARG  40   5.155   2.267 -10.501
  250    HD2  ARG  40           HD2      ARG  40   6.512   3.800 -11.452
  251    HD3  ARG  40           HD1      ARG  40   7.948   3.089 -10.715
  252    HE   ARG  40           HE       ARG  40   7.280   1.329 -12.763
  253   HH11  ARG  40          1HH2      ARG  40   6.743   4.581 -13.184
  254   HH12  ARG  40          2HH2      ARG  40   7.907   4.808 -14.445
  255   HH21  ARG  40          1HH1      ARG  40   9.303   1.656 -14.085
  256   HH22  ARG  40          2HH1      ARG  40   9.356   3.152 -14.956
  257    H    ALA  41           H        ALA  41   6.707  -0.958  -7.665
  258    HA   ALA  41           HA       ALA  41   6.583  -0.865  -4.781
  259    HB1  ALA  41           HB1      ALA  41   6.882  -2.915  -6.410
  260    HB2  ALA  41           HB2      ALA  41   7.656  -2.941  -4.827
  261    HB3  ALA  41           HB3      ALA  41   8.597  -2.536  -6.261
  262    H    GLY  42           H        GLY  42   8.652  -0.978  -3.439
  263    HA2  GLY  42           HA2      GLY  42  10.686  -0.004  -2.766
  264    HA3  GLY  42           HA1      GLY  42  11.056   0.244  -4.476
  265    H    LYS  43           H        LYS  43   8.027   1.385  -3.241
  266    HA   LYS  43           HA       LYS  43   9.040   4.187  -3.605
  267    HB2  LYS  43           HB2      LYS  43   7.175   3.844  -5.019
  268    HB3  LYS  43           HB1      LYS  43   6.297   2.950  -3.787
  269    HG2  LYS  43           HG2      LYS  43   5.332   4.837  -3.049
  270    HG3  LYS  43           HG1      LYS  43   6.911   5.565  -2.771
  271    HD2  LYS  43           HD2      LYS  43   6.242   5.445  -5.610
  272    HD3  LYS  43           HD1      LYS  43   5.064   6.375  -4.683
  273    HE2  LYS  43           HE2      LYS  43   6.609   7.976  -4.061
  274    HE3  LYS  43           HE1      LYS  43   7.961   6.844  -4.121
  275    HZ1  LYS  43           HZ1      LYS  43   8.179   8.300  -5.955
  276    HZ2  LYS  43           HZ2      LYS  43   6.552   8.103  -6.407
  277    HZ3  LYS  43           HZ3      LYS  43   7.649   6.817  -6.583
  278    H    ILE  44           H        ILE  44   9.098   5.586  -1.877
  279    HA   ILE  44           HA       ILE  44   8.918   4.596   0.774
  280    HB   ILE  44           HB       ILE  44   9.179   7.283  -0.488
  281   HG12  ILE  44          2HG1      ILE  44  11.129   5.939   0.143
  282   HG13  ILE  44          1HG1      ILE  44  11.051   7.387   1.150
  283   HG21  ILE  44          1HG2      ILE  44   7.430   7.808   1.123
  284   HG22  ILE  44          2HG2      ILE  44   8.967   8.391   1.761
  285   HG23  ILE  44          3HG2      ILE  44   8.263   6.897   2.381
  286   HD11  ILE  44          3HD1      ILE  44   9.487   5.360   2.415
  287   HD12  ILE  44          1HD1      ILE  44  10.979   6.101   2.994
  288   HD13  ILE  44          2HD1      ILE  44  11.047   4.652   1.990
  289    H    CYS  45           H        CYS  45   7.213   4.090   1.946
  290    HA   CYS  45           HA       CYS  45   4.571   5.293   1.249
  291    HB2  CYS  45           HB2      CYS  45   3.742   3.177   2.551
  292    HB3  CYS  45           HB1      CYS  45   4.284   2.997   0.884
  293    H    ARG  46           H        ARG  46   6.961   4.767   3.689
  294    HA   ARG  46           HA       ARG  46   5.582   6.619   5.461
  295    HB2  ARG  46           HB2      ARG  46   5.136   3.827   5.809
  296    HB3  ARG  46           HB1      ARG  46   6.169   4.367   7.133
  297    HG2  ARG  46           HG2      ARG  46   4.523   5.628   8.063
  298    HG3  ARG  46           HG1      ARG  46   3.961   6.214   6.498
  299    HD2  ARG  46           HD2      ARG  46   2.257   4.797   7.619
  300    HD3  ARG  46           HD1      ARG  46   2.798   4.094   6.094
  301    HE   ARG  46           HE       ARG  46   4.470   2.918   7.938
  302   HH11  ARG  46          1HH2      ARG  46   1.275   2.693   6.865
  303   HH12  ARG  46          2HH2      ARG  46   0.780   1.535   8.054
  304   HH21  ARG  46          1HH1      ARG  46   3.752   1.698   9.834
  305   HH22  ARG  46          2HH1      ARG  46   2.183   0.972   9.734
  306    H    ILE  47           H        ILE  47   6.946   7.130   7.384
  307    HA   ILE  47           HA       ILE  47   9.784   7.075   6.621
  308    HB   ILE  47           HB       ILE  47   8.529   9.095   7.598
  309   HG12  ILE  47          2HG1      ILE  47  10.827   8.727   9.386
  310   HG13  ILE  47          1HG1      ILE  47  11.179   8.300   7.710
  311   HG21  ILE  47          1HG2      ILE  47   8.294   9.192  10.003
  312   HG22  ILE  47          2HG2      ILE  47   9.058   7.614  10.190
  313   HG23  ILE  47          3HG2      ILE  47   7.466   7.739   9.442
  314   HD11  ILE  47          3HD1      ILE  47  10.143  10.934   8.774
  315   HD12  ILE  47          1HD1      ILE  47  10.086  10.516   7.061
  316   HD13  ILE  47          2HD1      ILE  47  11.640  10.636   7.890
  317    H    ALA  48           H        ALA  48  11.449   6.358   8.179
  318    HA   ALA  48           HA       ALA  48  10.454   4.073   9.830
  319    HB1  ALA  48           HB1      ALA  48  11.971   2.865   8.681
  320    HB2  ALA  48           HB2      ALA  48  13.234   3.811   9.467
  321    HB3  ALA  48           HB3      ALA  48  12.601   4.315   7.900
  322    H    ARG  49           H        ARG  49  11.446   3.756  11.912
  323    HA   ARG  49           HA       ARG  49  12.109   6.247  13.265
  324    HB2  ARG  49           HB2      ARG  49  11.964   3.356  14.123
  325    HB3  ARG  49           HB1      ARG  49  12.538   4.615  15.217
  326    HG2  ARG  49           HG2      ARG  49  10.134   5.534  13.955
  327    HG3  ARG  49           HG1      ARG  49   9.843   3.924  14.615
  328    HD2  ARG  49           HD2      ARG  49   9.677   4.832  16.665
  329    HD3  ARG  49           HD1      ARG  49  11.367   5.324  16.551
  330    HE   ARG  49           HE       ARG  49   9.294   7.089  15.351
  331   HH11  ARG  49          1HH2      ARG  49  10.234   6.605  18.451
  332   HH12  ARG  49          2HH2      ARG  49  10.999   8.141  18.688
  333   HH21  ARG  49          1HH1      ARG  49  10.922   8.996  15.328
  334   HH22  ARG  49          2HH1      ARG  49  11.390   9.494  16.920
  335    H    GLY  50           H        GLY  50  14.119   7.085  13.425
  336    HA2  GLY  50           HA2      GLY  50  16.479   7.006  13.880
  337    HA3  GLY  50           HA1      GLY  50  16.468   5.283  13.501
  338    H    ASP  51           H        ASP  51  14.828   5.872  11.067
  339    HA   ASP  51           HA       ASP  51  15.108   6.588   8.832
  340    HB2  ASP  51           HB2      ASP  51  16.717   8.403  10.232
  341    HB3  ASP  51           HB1      ASP  51  17.786   7.707   9.014
  342    H    TRP  52           H        TRP  52  15.394   4.136   8.891
  343    HA   TRP  52           HA       TRP  52  18.091   3.498   7.794
  344    HB2  TRP  52           HB2      TRP  52  17.643   1.146   8.833
  345    HB3  TRP  52           HB1      TRP  52  18.223   2.440   9.875
  346    HD1  TRP  52           HD       TRP  52  14.582   1.940   8.657
  347    HE1  TRP  52           HE1      TRP  52  13.079   1.696  10.732
  348    HE3  TRP  52           HE3      TRP  52  18.125   1.965  12.333
  349    HZ2  TRP  52           HZ2      TRP  52  13.336   1.504  13.567
  350    HZ3  TRP  52           HZ3      TRP  52  17.463   1.760  14.707
  351    HH2  TRP  52           HH       TRP  52  15.078   1.526  15.333
  352    H    ASN  53           H        ASN  53  16.074   0.770   7.969
  353    HA   ASN  53           HA       ASN  53  15.715   0.787   5.079
  354    HB2  ASN  53           HB2      ASN  53  15.269  -1.117   7.313
  355    HB3  ASN  53           HB1      ASN  53  14.201  -1.304   5.921
  356   HD21  ASN  53          1HD2      ASN  53  15.948  -0.582   3.813
  357   HD22  ASN  53          2HD2      ASN  53  17.218  -1.705   3.735
  358    H    ASP  54           H        ASP  54  14.388   2.803   5.032
  359    HA   ASP  54           HA       ASP  54  11.859   3.068   6.286
  360    HB2  ASP  54           HB2      ASP  54  13.002   4.149   3.711
  361    HB3  ASP  54           HB1      ASP  54  11.344   4.513   4.193
  362    H    ASP  55           H        ASP  55   9.729   2.597   5.508
  363    HA   ASP  55           HA       ASP  55   9.471   0.057   4.175
  364    HB2  ASP  55           HB2      ASP  55   7.309   2.140   4.588
  365    HB3  ASP  55           HB1      ASP  55   7.088   0.403   4.373
  366    H    ARG  56           H        ARG  56   8.781  -0.385   2.041
  367    HA   ARG  56           HA       ARG  56   8.606   1.969   0.218
  368    HB2  ARG  56           HB2      ARG  56  10.002  -0.583  -0.568
  369    HB3  ARG  56           HB1      ARG  56  10.072   0.994  -1.355
  370    HG2  ARG  56           HG2      ARG  56  10.909   1.445   1.293
  371    HG3  ARG  56           HG1      ARG  56  11.720  -0.038   0.789
  372    HD2  ARG  56           HD2      ARG  56  12.486   1.116  -1.278
  373    HD3  ARG  56           HD1      ARG  56  11.738   2.605  -0.699
  374    HE   ARG  56           HE       ARG  56  13.383   2.624   1.140
  375   HH11  ARG  56          1HH1      ARG  56  13.706  -0.408  -0.165
  376   HH12  ARG  56          2HH1      ARG  56  15.425  -0.350  -0.372
  377   HH21  ARG  56          1HH2      ARG  56  15.660   3.033   0.355
  378   HH22  ARG  56          2HH2      ARG  56  16.532   1.600  -0.077
  379    H    CYS  57           H        CYS  57   7.101   1.777  -1.440
  380    HA   CYS  57           HA       CYS  57   4.865   0.118  -1.157
  381    HB2  CYS  57           HB2      CYS  57   4.994   2.083  -2.705
  382    HB3  CYS  57           HB1      CYS  57   5.991   1.116  -3.788
  383    H    THR  58           H        THR  58   4.317  -1.916  -1.952
  384    HA   THR  58           HA       THR  58   6.517  -3.739  -2.505
  385    HB   THR  58           HB       THR  58   3.950  -4.918  -3.020
  386    HG1  THR  58           HG1      THR  58   3.346  -4.408  -0.677
  387   HG21  THR  58          3HG2      THR  58   4.562  -6.227  -0.999
  388   HG22  THR  58          1HG2      THR  58   5.889  -5.103  -0.698
  389   HG23  THR  58          2HG2      THR  58   5.897  -6.112  -2.145
  390    H    GLY  59           H        GLY  59   4.146  -2.016  -4.402
  391    HA2  GLY  59           HA2      GLY  59   4.851  -1.702  -6.807
  392    HA3  GLY  59           HA1      GLY  59   5.161  -3.438  -6.830
  393    H    GLN  60           H        GLN  60   2.806  -4.162  -5.294
  394    HA   GLN  60           HA       GLN  60   0.626  -3.315  -7.148
  395    HB2  GLN  60           HB2      GLN  60   1.114  -6.163  -6.229
  396    HB3  GLN  60           HB1      GLN  60  -0.137  -5.615  -7.345
  397    HG2  GLN  60           HG2      GLN  60   1.482  -5.018  -9.009
  398    HG3  GLN  60           HG1      GLN  60   2.816  -5.218  -7.871
  399   HE21  GLN  60          1HE2      GLN  60   3.703  -6.830  -9.476
  400   HE22  GLN  60          2HE2      GLN  60   3.085  -8.410  -9.481
  401    H    SER  61           H        SER  61   1.658  -3.461  -4.006
  402    HA   SER  61           HA       SER  61  -1.108  -3.934  -2.970
  403    HB2  SER  61           HB2      SER  61   0.084  -5.291  -1.582
  404    HB3  SER  61           HB1      SER  61   1.601  -4.463  -1.919
  405    HG   SER  61           HG       SER  61   1.309  -3.521  -0.071
  406    H    ALA  62           H        ALA  62  -2.224  -2.071  -2.638
  407    HA   ALA  62           HA       ALA  62  -0.982   0.522  -2.526
  408    HB1  ALA  62           HB1      ALA  62  -3.394   0.971  -1.370
  409    HB2  ALA  62           HB2      ALA  62  -3.723  -0.566  -2.169
  410    HB3  ALA  62           HB3      ALA  62  -3.177   0.819  -3.113
  411    H    ASP  63           H        ASP  63  -2.041  -1.787  -0.074
  412    HA   ASP  63           HA       ASP  63  -1.496   0.047   2.135
  413    HB2  ASP  63           HB2      ASP  63  -2.105  -2.915   1.986
  414    HB3  ASP  63           HB1      ASP  63  -1.760  -2.093   3.508
  415    H    CYS  64           H        CYS  64   0.643   0.657   2.113
  416    HA   CYS  64           HA       CYS  64   2.879  -0.819   1.352
  417    HB2  CYS  64           HB2      CYS  64   3.094   1.517   1.879
  418    HB3  CYS  64           HB1      CYS  64   2.595   1.248   3.545
  419    HA   PRO  65           HA       PRO  65   3.011  -4.031   4.327
  420    HB2  PRO  65           HB2      PRO  65   5.373  -5.071   3.422
  421    HB3  PRO  65           HB1      PRO  65   3.826  -5.354   2.626
  422    HG2  PRO  65           HG2      PRO  65   6.097  -3.624   1.796
  423    HG3  PRO  65           HG1      PRO  65   4.835  -4.372   0.802
  424    HD2  PRO  65           HD2      PRO  65   4.929  -1.664   1.619
  425    HD3  PRO  65           HD1      PRO  65   3.539  -2.496   0.889
  426    H    ARG  66           H        ARG  66   5.027  -4.993   5.696
  427    HA   ARG  66           HA       ARG  66   6.270  -2.628   7.014
  428    HB2  ARG  66           HB2      ARG  66   4.933  -4.100   8.463
  429    HB3  ARG  66           HB1      ARG  66   5.916  -5.484   7.983
  430    HG2  ARG  66           HG2      ARG  66   7.427  -4.982   9.569
  431    HG3  ARG  66           HG1      ARG  66   7.668  -3.389   8.850
  432    HD2  ARG  66           HD2      ARG  66   5.452  -2.760  10.062
  433    HD3  ARG  66           HD1      ARG  66   5.757  -4.200  11.034
  434    HE   ARG  66           HE       ARG  66   7.368  -2.931  12.177
  435   HH11  ARG  66          1HH2      ARG  66   9.303  -2.766   9.956
  436   HH12  ARG  66          2HH2      ARG  66   9.422  -1.062   9.669
  437   HH21  ARG  66          1HH1      ARG  66   6.506  -0.299  11.382
  438   HH22  ARG  66          2HH1      ARG  66   7.840   0.334  10.477
  439    H    ASN  67           H        ASN  67   8.271  -2.230   6.158
  440    HA   ASN  67           HA       ASN  67  10.037  -4.591   5.639
  441    HB2  ASN  67           HB2      ASN  67   9.354  -2.358   3.983
  442    HB3  ASN  67           HB1      ASN  67  11.066  -2.239   4.390
  443   HD21  ASN  67          1HD2      ASN  67  11.096  -2.771   1.884
  444   HD22  ASN  67          2HD2      ASN  67  11.180  -4.419   1.485
  445    H    GLY  68           H        GLY  68  10.014  -3.861   8.222
  446    HA2  GLY  68           HA2      GLY  68  12.016  -1.777   8.748
  447    HA3  GLY  68           HA1      GLY  68  11.213  -2.771   9.963
  448    H    LEU  69           H        LEU  69  13.710  -2.665  10.580
  449    HA   LEU  69           HA       LEU  69  15.288  -4.705   9.129
  450    HB2  LEU  69           HB2      LEU  69  15.890  -2.763  11.361
  451    HB3  LEU  69           HB1      LEU  69  17.003  -4.072  10.962
  452    HG   LEU  69           HG       LEU  69  16.215  -2.821   8.520
  453   HD11  LEU  69          1HD1      LEU  69  17.601  -0.625   9.525
  454   HD12  LEU  69          2HD1      LEU  69  16.431  -0.996  10.791
  455   HD13  LEU  69          3HD1      LEU  69  15.879  -0.676   9.147
  456   HD21  LEU  69          3HD2      LEU  69  18.466  -3.914   9.656
  457   HD22  LEU  69          1HD2      LEU  69  18.878  -2.199   9.630
  458   HD23  LEU  69          2HD2      LEU  69  18.451  -3.026   8.132
  459    H    TYR  70           H        TYR  70  12.825  -5.288  10.818
  460    HA   TYR  70           HA       TYR  70  13.924  -7.639  12.149
  461    HB2  TYR  70           HB2      TYR  70  12.542  -6.747  14.311
  462    HB3  TYR  70           HB1      TYR  70  14.281  -6.535  14.120
  463    HD1  TYR  70           HD2      TYR  70  11.026  -4.879  13.259
  464    HD2  TYR  70           HD1      TYR  70  15.194  -4.377  14.174
  465    HE1  TYR  70           HE2      TYR  70  10.728  -2.417  13.272
  466    HE2  TYR  70           HE1      TYR  70  14.894  -1.915  14.188
  467    HH   TYR  70           HH       TYR  70  11.848  -0.434  14.264
  468    H    GLY  71           H        GLY  71  11.821  -8.461  13.650
  469    HA2  GLY  71           HA2      GLY  71   9.722  -8.808  11.608
  470    HA3  GLY  71           HA1      GLY  71   9.843  -9.693  13.129
  Start of MODEL   14
    1    H    GLY   1           HT1      GLY   1 -17.050 -10.880   2.719
    2    HA2  GLY   1           HA1      GLY   1 -18.573  -9.850   4.965
    3    HA3  GLY   1           HA2      GLY   1 -16.976 -10.600   4.934
    4    H    LYS   2           H        LYS   2 -15.549  -9.037   3.236
    5    HA   LYS   2           HA       LYS   2 -15.639  -6.366   4.572
    6    HB2  LYS   2           HB2      LYS   2 -13.206  -6.246   3.894
    7    HB3  LYS   2           HB1      LYS   2 -13.572  -7.523   5.055
    8    HG2  LYS   2           HG2      LYS   2 -13.961  -8.516   2.377
    9    HG3  LYS   2           HG1      LYS   2 -12.351  -7.812   2.518
   10    HD2  LYS   2           HD2      LYS   2 -13.545  -9.886   4.382
   11    HD3  LYS   2           HD1      LYS   2 -12.309 -10.187   3.159
   12    HE2  LYS   2           HE2      LYS   2 -10.980  -8.306   4.386
   13    HE3  LYS   2           HE1      LYS   2 -12.083  -8.628   5.725
   14    HZ1  LYS   2           HZ1      LYS   2 -10.498 -10.149   6.202
   15    HZ2  LYS   2           HZ2      LYS   2  -9.990 -10.312   4.589
   16    HZ3  LYS   2           HZ3      LYS   2 -11.400 -11.097   5.120
   17    H    GLU   3           H        GLU   3 -16.834  -5.106   3.164
   18    HA   GLU   3           HA       GLU   3 -15.958  -5.097   0.301
   19    HB2  GLU   3           HB2      GLU   3 -18.625  -5.013   1.579
   20    HB3  GLU   3           HB1      GLU   3 -18.392  -3.869   0.258
   21    HG2  GLU   3           HG2      GLU   3 -17.783  -5.627  -1.265
   22    HG3  GLU   3           HG1      GLU   3 -17.704  -6.810   0.042
   23    H    CYS   4           H        CYS   4 -14.267  -3.560   1.217
   24    HA   CYS   4           HA       CYS   4 -15.087  -0.853   0.661
   25    HB2  CYS   4           HB2      CYS   4 -15.959  -0.960   2.947
   26    HB3  CYS   4           HB1      CYS   4 -14.394  -1.526   3.532
   27    H    ASP   5           H        ASP   5 -13.325   0.249  -0.076
   28    HA   ASP   5           HA       ASP   5 -10.645  -0.940   0.513
   29    HB2  ASP   5           HB2      ASP   5 -11.106  -1.179  -1.828
   30    HB3  ASP   5           HB1      ASP   5 -11.714   0.473  -1.943
   31    H    CYS   6           H        CYS   6 -12.630   1.804   0.899
   32    HA   CYS   6           HA       CYS   6 -10.246   3.388   1.759
   33    HB2  CYS   6           HB2      CYS   6 -11.218   5.408   0.869
   34    HB3  CYS   6           HB1      CYS   6 -11.222   4.213  -0.426
   35    H    SER   7           H        SER   7 -10.505   4.394   3.755
   36    HA   SER   7           HA       SER   7 -12.869   3.617   5.310
   37    HB2  SER   7           HB2      SER   7 -10.743   3.516   6.447
   38    HB3  SER   7           HB1      SER   7 -10.366   5.178   6.004
   39    HG   SER   7           HG       SER   7 -11.987   5.883   7.352
   40    H    SER   8           H        SER   8 -12.022   6.231   3.327
   41    HA   SER   8           HA       SER   8 -13.778   8.106   4.819
   42    HB2  SER   8           HB2      SER   8 -11.544   8.396   2.935
   43    HB3  SER   8           HB1      SER   8 -12.896   9.470   2.595
   44    HG   SER   8           HG       SER   8 -12.771   9.814   5.021
   45    HA   PRO   9           HA       PRO   9 -16.970   7.052   1.910
   46    HB2  PRO   9           HB2      PRO   9 -18.834   8.812   2.898
   47    HB3  PRO   9           HB1      PRO   9 -18.451   7.261   3.665
   48    HG2  PRO   9           HG2      PRO   9 -17.692  10.012   4.520
   49    HG3  PRO   9           HG1      PRO   9 -17.878   8.546   5.496
   50    HD2  PRO   9           HD2      PRO   9 -15.423   9.673   4.624
   51    HD3  PRO   9           HD1      PRO   9 -15.643   8.063   5.342
   52    H    GLU  10           H        GLU  10 -16.081  10.427   2.609
   53    HA   GLU  10           HA       GLU  10 -17.357  11.602   0.336
   54    HB2  GLU  10           HB2      GLU  10 -16.337  12.796   2.366
   55    HB3  GLU  10           HB1      GLU  10 -14.778  12.593   1.565
   56    HG2  GLU  10           HG2      GLU  10 -15.442  14.691   0.779
   57    HG3  GLU  10           HG1      GLU  10 -16.016  13.627  -0.506
   58    H    ASN  11           H        ASN  11 -14.704   9.492   0.551
   59    HA   ASN  11           HA       ASN  11 -13.165  10.446  -1.695
   60    HB2  ASN  11           HB2      ASN  11 -12.135   8.942  -0.102
   61    HB3  ASN  11           HB1      ASN  11 -13.373   7.719  -0.394
   62   HD21  ASN  11          1HD2      ASN  11 -11.216   6.462  -0.914
   63   HD22  ASN  11          2HD2      ASN  11 -10.699   6.514  -2.530
   64    HA   PRO  12           HA       PRO  12 -16.227   9.024  -4.639
   65    HB2  PRO  12           HB2      PRO  12 -15.013  10.181  -6.817
   66    HB3  PRO  12           HB1      PRO  12 -16.047  11.068  -5.682
   67    HG2  PRO  12           HG2      PRO  12 -13.076  11.120  -5.950
   68    HG3  PRO  12           HG1      PRO  12 -14.169  12.370  -5.334
   69    HD2  PRO  12           HD2      PRO  12 -12.583  10.637  -3.757
   70    HD3  PRO  12           HD1      PRO  12 -13.919  11.650  -3.171
   71    H    CYS  13           H        CYS  13 -12.705   8.681  -5.013
   72    HA   CYS  13           HA       CYS  13 -12.638   6.880  -7.172
   73    HB2  CYS  13           HB2      CYS  13 -10.693   7.941  -5.761
   74    HB3  CYS  13           HB1      CYS  13 -10.814   6.452  -4.811
   75    H    CYS  14           H        CYS  14 -13.821   6.403  -3.962
   76    HA   CYS  14           HA       CYS  14 -14.132   3.493  -4.581
   77    HB2  CYS  14           HB2      CYS  14 -14.102   3.132  -2.097
   78    HB3  CYS  14           HB1      CYS  14 -12.572   3.735  -2.735
   79    H    ASP  15           H        ASP  15 -16.247   3.130  -5.033
   80    HA   ASP  15           HA       ASP  15 -18.408   4.846  -4.573
   81    HB2  ASP  15           HB2      ASP  15 -18.353   2.646  -5.919
   82    HB3  ASP  15           HB1      ASP  15 -18.669   1.839  -4.382
   83    H    ALA  16           H        ALA  16 -19.744   5.241  -2.812
   84    HA   ALA  16           HA       ALA  16 -18.753   4.457  -0.187
   85    HB1  ALA  16           HB1      ALA  16 -21.328   5.881  -0.924
   86    HB2  ALA  16           HB2      ALA  16 -19.786   6.686  -0.635
   87    HB3  ALA  16           HB3      ALA  16 -20.589   5.822   0.676
   88    H    ALA  17           H        ALA  17 -21.703   3.767  -2.082
   89    HA   ALA  17           HA       ALA  17 -23.046   2.130  -0.245
   90    HB1  ALA  17           HB1      ALA  17 -24.305   1.360  -2.045
   91    HB2  ALA  17           HB2      ALA  17 -22.905   1.266  -3.115
   92    HB3  ALA  17           HB3      ALA  17 -23.621   2.832  -2.734
   93    H    THR  18           H        THR  18 -20.367   1.304  -2.419
   94    HA   THR  18           HA       THR  18 -20.220  -1.385  -1.136
   95    HB   THR  18           HB       THR  18 -18.884  -2.064  -3.034
   96    HG1  THR  18           HG1      THR  18 -18.626  -0.296  -4.694
   97   HG21  THR  18          3HG2      THR  18 -20.979  -0.306  -4.284
   98   HG22  THR  18          1HG2      THR  18 -21.453  -1.653  -3.249
   99   HG23  THR  18          2HG2      THR  18 -20.515  -1.953  -4.713
  100    H    CYS  19           H        CYS  19 -18.868   1.694  -0.981
  101    HA   CYS  19           HA       CYS  19 -16.942   2.544   0.049
  102    HB2  CYS  19           HB2      CYS  19 -17.982   0.878   1.800
  103    HB3  CYS  19           HB1      CYS  19 -16.580  -0.109   1.409
  104    H    LYS  20           H        LYS  20 -16.778   0.602  -2.403
  105    HA   LYS  20           HA       LYS  20 -13.825   0.139  -2.145
  106    HB2  LYS  20           HB2      LYS  20 -15.750  -1.492  -3.827
  107    HB3  LYS  20           HB1      LYS  20 -14.031  -1.804  -3.580
  108    HG2  LYS  20           HG2      LYS  20 -15.336  -1.572  -1.023
  109    HG3  LYS  20           HG1      LYS  20 -16.190  -2.754  -2.012
  110    HD2  LYS  20           HD2      LYS  20 -13.195  -2.735  -1.538
  111    HD3  LYS  20           HD1      LYS  20 -14.342  -3.793  -0.716
  112    HE2  LYS  20           HE2      LYS  20 -14.312  -3.712  -3.716
  113    HE3  LYS  20           HE1      LYS  20 -13.087  -4.652  -2.865
  114    HZ1  LYS  20           HZ1      LYS  20 -15.303  -5.387  -1.572
  115    HZ2  LYS  20           HZ2      LYS  20 -14.659  -6.229  -2.901
  116    HZ3  LYS  20           HZ3      LYS  20 -15.932  -5.126  -3.125
  117    H    LEU  21           H        LEU  21 -12.907  -0.173  -4.534
  118    HA   LEU  21           HA       LEU  21 -13.128   2.345  -5.855
  119    HB2  LEU  21           HB2      LEU  21 -12.056  -0.336  -6.761
  120    HB3  LEU  21           HB1      LEU  21 -11.960   1.111  -7.762
  121    HG   LEU  21           HG       LEU  21 -11.056   1.746  -5.109
  122   HD11  LEU  21          1HD1      LEU  21 -10.628  -0.858  -5.364
  123   HD12  LEU  21          2HD1      LEU  21  -9.392   0.192  -4.670
  124   HD13  LEU  21          3HD1      LEU  21  -9.278  -0.311  -6.357
  125   HD21  LEU  21          3HD2      LEU  21 -10.409   2.223  -7.834
  126   HD22  LEU  21          1HD2      LEU  21  -8.951   1.602  -7.060
  127   HD23  LEU  21          2HD2      LEU  21  -9.750   3.034  -6.413
  128    H    ARG  22           H        ARG  22 -14.828   3.064  -7.051
  129    HA   ARG  22           HA       ARG  22 -16.849   1.181  -8.020
  130    HB2  ARG  22           HB2      ARG  22 -17.074   3.715  -7.176
  131    HB3  ARG  22           HB1      ARG  22 -16.879   4.028  -8.901
  132    HG2  ARG  22           HG2      ARG  22 -18.737   1.827  -8.286
  133    HG3  ARG  22           HG1      ARG  22 -19.267   3.406  -7.703
  134    HD2  ARG  22           HD2      ARG  22 -18.887   4.349  -9.971
  135    HD3  ARG  22           HD1      ARG  22 -18.430   2.746 -10.544
  136    HE   ARG  22           HE       ARG  22 -20.882   2.208  -9.573
  137   HH11  ARG  22          1HH2      ARG  22 -21.233   5.287  -9.719
  138   HH12  ARG  22          2HH2      ARG  22 -22.068   5.429 -11.230
  139   HH21  ARG  22          1HH1      ARG  22 -21.312   2.207 -12.256
  140   HH22  ARG  22          2HH1      ARG  22 -22.112   3.687 -12.665
  141    HA   PRO  23           HA       PRO  23 -15.131   2.618 -12.235
  142    HB2  PRO  23           HB2      PRO  23 -12.821   4.103 -12.230
  143    HB3  PRO  23           HB1      PRO  23 -14.440   4.819 -12.157
  144    HG2  PRO  23           HG2      PRO  23 -12.412   4.551  -9.994
  145    HG3  PRO  23           HG1      PRO  23 -13.736   5.718 -10.154
  146    HD2  PRO  23           HD2      PRO  23 -13.713   3.407  -8.500
  147    HD3  PRO  23           HD1      PRO  23 -15.115   4.436  -8.855
  148    H    GLY  24           H        GLY  24 -12.551   2.502 -13.304
  149    HA2  GLY  24           HA2      GLY  24 -11.701  -0.186 -12.411
  150    HA3  GLY  24           HA1      GLY  24 -11.179   0.624 -13.889
  151    H    ALA  25           H        ALA  25 -11.167   2.241 -10.777
  152    HA   ALA  25           HA       ALA  25  -8.337   2.848 -11.051
  153    HB1  ALA  25           HB1      ALA  25  -8.905   3.645  -8.531
  154    HB2  ALA  25           HB2      ALA  25 -10.541   3.569  -9.186
  155    HB3  ALA  25           HB3      ALA  25  -9.331   4.599  -9.952
  156    H    GLN  26           H        GLN  26  -6.620   2.015  -9.789
  157    HA   GLN  26           HA       GLN  26  -6.961  -0.702  -8.853
  158    HB2  GLN  26           HB2      GLN  26  -4.618   1.187  -8.492
  159    HB3  GLN  26           HB1      GLN  26  -4.579  -0.558  -8.297
  160    HG2  GLN  26           HG2      GLN  26  -5.466   0.717 -10.882
  161    HG3  GLN  26           HG1      GLN  26  -3.767   0.371 -10.556
  162   HE21  GLN  26          1HE2      GLN  26  -5.307  -0.959 -12.643
  163   HE22  GLN  26          2HE2      GLN  26  -5.403  -2.603 -12.233
  164    H    CYS  27           H        CYS  27  -6.197   2.368  -7.188
  165    HA   CYS  27           HA       CYS  27  -7.380   1.176  -4.729
  166    HB2  CYS  27           HB2      CYS  27  -5.089   0.875  -4.277
  167    HB3  CYS  27           HB1      CYS  27  -4.636   2.384  -5.063
  168    H    GLY  28           H        GLY  28  -8.798   2.564  -3.791
  169    HA2  GLY  28           HA2      GLY  28  -9.180   5.214  -4.934
  170    HA3  GLY  28           HA1      GLY  28 -10.134   4.506  -3.635
  171    H    GLU  29           H        GLU  29  -7.977   3.879  -1.891
  172    HA   GLU  29           HA       GLU  29  -6.595   6.444  -1.395
  173    HB2  GLU  29           HB2      GLU  29  -8.794   6.622  -0.259
  174    HB3  GLU  29           HB1      GLU  29  -8.432   5.151   0.639
  175    HG2  GLU  29           HG2      GLU  29  -6.274   7.118   0.786
  176    HG3  GLU  29           HG1      GLU  29  -7.797   7.734   1.430
  177    H    GLY  30           H        GLY  30  -4.710   6.163  -0.087
  178    HA2  GLY  30           HA2      GLY  30  -3.974   4.068   1.555
  179    HA3  GLY  30           HA1      GLY  30  -3.660   3.439  -0.062
  180    H    LEU  31           H        LEU  31  -1.500   3.751   1.632
  181    HA   LEU  31           HA       LEU  31  -0.227   6.316   1.501
  182    HB2  LEU  31           HB2      LEU  31   0.388   3.762   2.569
  183    HB3  LEU  31           HB1      LEU  31   1.718   4.193   1.498
  184    HG   LEU  31           HG       LEU  31   1.986   5.010   3.872
  185   HD11  LEU  31          1HD1      LEU  31   1.958   7.573   2.636
  186   HD12  LEU  31          2HD1      LEU  31   2.359   6.395   1.387
  187   HD13  LEU  31          3HD1      LEU  31   3.335   6.493   2.852
  188   HD21  LEU  31          3HD2      LEU  31  -0.674   5.962   3.326
  189   HD22  LEU  31          1HD2      LEU  31   0.370   7.341   3.676
  190   HD23  LEU  31          2HD2      LEU  31   0.225   6.025   4.843
  191    H    CYS  32           H        CYS  32  -0.318   3.582  -0.725
  192    HA   CYS  32           HA       CYS  32   1.337   5.223  -2.592
  193    HB2  CYS  32           HB2      CYS  32   1.300   2.231  -2.168
  194    HB3  CYS  32           HB1      CYS  32   2.041   2.992  -3.579
  195    H    CYS  33           H        CYS  33  -1.120   5.887  -2.849
  196    HA   CYS  33           HA       CYS  33  -2.210   4.251  -5.104
  197    HB2  CYS  33           HB2      CYS  33  -3.783   5.921  -3.118
  198    HB3  CYS  33           HB1      CYS  33  -4.460   4.939  -4.412
  199    H    GLU  34           H        GLU  34  -1.065   5.541  -6.631
  200    HA   GLU  34           HA       GLU  34  -1.623   8.456  -6.627
  201    HB2  GLU  34           HB2      GLU  34   0.740   7.492  -6.907
  202    HB3  GLU  34           HB1      GLU  34   0.213   6.958  -8.504
  203    HG2  GLU  34           HG2      GLU  34   0.146   9.086  -9.344
  204    HG3  GLU  34           HG1      GLU  34  -0.378   9.785  -7.812
  205    H    GLN  35           H        GLN  35  -2.999   9.333  -8.107
  206    HA   GLN  35           HA       GLN  35  -4.543   9.421  -9.860
  207    HB2  GLN  35           HB2      GLN  35  -2.196   8.273 -10.912
  208    HB3  GLN  35           HB1      GLN  35  -3.516   7.250 -11.482
  209    HG2  GLN  35           HG2      GLN  35  -4.167  10.096 -11.645
  210    HG3  GLN  35           HG1      GLN  35  -2.745   9.677 -12.601
  211   HE21  GLN  35          1HE2      GLN  35  -3.029   7.849 -14.202
  212   HE22  GLN  35          2HE2      GLN  35  -4.569   7.568 -14.858
  213    H    CYS  36           H        CYS  36  -4.826   7.556  -7.583
  214    HA   CYS  36           HA       CYS  36  -6.327   5.891  -6.903
  215    HB2  CYS  36           HB2      CYS  36  -7.424   6.706  -9.576
  216    HB3  CYS  36           HB1      CYS  36  -8.052   5.271  -8.785
  217    H    LYS  37           H        LYS  37  -3.857   5.464  -8.810
  218    HA   LYS  37           HA       LYS  37  -4.516   2.657  -9.554
  219    HB2  LYS  37           HB2      LYS  37  -2.902   4.776 -10.816
  220    HB3  LYS  37           HB1      LYS  37  -2.107   3.202 -10.757
  221    HG2  LYS  37           HG2      LYS  37  -3.638   2.219 -12.158
  222    HG3  LYS  37           HG1      LYS  37  -4.967   3.229 -11.584
  223    HD2  LYS  37           HD2      LYS  37  -4.394   5.011 -12.979
  224    HD3  LYS  37           HD1      LYS  37  -2.717   4.484 -13.128
  225    HE2  LYS  37           HE2      LYS  37  -4.256   2.362 -14.146
  226    HE3  LYS  37           HE1      LYS  37  -4.985   3.826 -14.805
  227    HZ1  LYS  37           HZ1      LYS  37  -2.186   2.904 -15.049
  228    HZ2  LYS  37           HZ2      LYS  37  -2.628   4.516 -15.351
  229    HZ3  LYS  37           HZ3      LYS  37  -3.288   3.261 -16.287
  230    H    PHE  38           H        PHE  38  -2.407   1.243  -9.407
  231    HA   PHE  38           HA       PHE  38  -1.474   1.469  -6.641
  232    HB2  PHE  38           HB2      PHE  38  -1.152  -0.540  -8.850
  233    HB3  PHE  38           HB1      PHE  38  -0.119  -0.629  -7.421
  234    HD1  PHE  38           HD1      PHE  38  -1.971   0.311  -5.302
  235    HD2  PHE  38           HD2      PHE  38  -2.642  -2.347  -8.608
  236    HE1  PHE  38           HE1      PHE  38  -3.820  -0.768  -4.056
  237    HE2  PHE  38           HE2      PHE  38  -4.490  -3.429  -7.361
  238    HZ   PHE  38           HZ       PHE  38  -5.080  -2.641  -5.085
  239    H    SER  39           H        SER  39   0.306   2.635  -6.101
  240    HA   SER  39           HA       SER  39   2.034   3.852  -8.013
  241    HB2  SER  39           HB2      SER  39   2.989   3.176  -5.241
  242    HB3  SER  39           HB1      SER  39   3.276   4.634  -6.188
  243    HG   SER  39           HG       SER  39   0.752   4.638  -5.979
  244    H    ARG  40           H        ARG  40   4.593   3.319  -7.717
  245    HA   ARG  40           HA       ARG  40   4.819   0.521  -8.626
  246    HB2  ARG  40           HB2      ARG  40   6.759   2.848  -8.566
  247    HB3  ARG  40           HB1      ARG  40   7.231   1.224  -9.070
  248    HG2  ARG  40           HG2      ARG  40   6.239   1.460 -11.086
  249    HG3  ARG  40           HG1      ARG  40   4.764   2.104 -10.363
  250    HD2  ARG  40           HD2      ARG  40   5.522   4.308 -10.451
  251    HD3  ARG  40           HD1      ARG  40   7.219   3.829 -10.475
  252    HE   ARG  40           HE       ARG  40   5.757   2.972 -12.850
  253   HH11  ARG  40          1HH1      ARG  40   8.672   3.828 -12.663
  254   HH12  ARG  40          2HH1      ARG  40   8.638   5.332 -13.522
  255   HH21  ARG  40          1HH2      ARG  40   5.189   5.646 -13.369
  256   HH22  ARG  40          2HH2      ARG  40   6.666   6.359 -13.922
  257    H    ALA  41           H        ALA  41   6.452  -0.922  -7.693
  258    HA   ALA  41           HA       ALA  41   6.426  -0.890  -4.801
  259    HB1  ALA  41           HB1      ALA  41   6.793  -2.839  -6.690
  260    HB2  ALA  41           HB2      ALA  41   7.191  -3.033  -4.983
  261    HB3  ALA  41           HB3      ALA  41   8.449  -2.586  -6.136
  262    H    GLY  42           H        GLY  42   8.620  -1.173  -3.601
  263    HA2  GLY  42           HA2      GLY  42  10.710  -0.253  -3.019
  264    HA3  GLY  42           HA1      GLY  42  10.924   0.176  -4.716
  265    H    LYS  43           H        LYS  43   7.974   1.186  -3.230
  266    HA   LYS  43           HA       LYS  43   8.914   4.004  -3.429
  267    HB2  LYS  43           HB2      LYS  43   6.854   3.918  -4.488
  268    HB3  LYS  43           HB1      LYS  43   6.242   2.658  -3.426
  269    HG2  LYS  43           HG2      LYS  43   5.050   4.680  -2.862
  270    HG3  LYS  43           HG1      LYS  43   6.190   4.397  -1.565
  271    HD2  LYS  43           HD2      LYS  43   7.475   6.210  -2.105
  272    HD3  LYS  43           HD1      LYS  43   7.203   6.014  -3.837
  273    HE2  LYS  43           HE2      LYS  43   6.105   8.060  -3.013
  274    HE3  LYS  43           HE1      LYS  43   4.909   6.892  -3.575
  275    HZ1  LYS  43           HZ1      LYS  43   4.181   7.729  -1.494
  276    HZ2  LYS  43           HZ2      LYS  43   5.693   7.454  -0.770
  277    HZ3  LYS  43           HZ3      LYS  43   4.716   6.142  -1.229
  278    H    ILE  44           H        ILE  44   9.323   5.226  -1.648
  279    HA   ILE  44           HA       ILE  44   9.328   4.014   0.962
  280    HB   ILE  44           HB       ILE  44  10.058   6.634  -0.206
  281   HG12  ILE  44          2HG1      ILE  44  11.658   4.834   0.383
  282   HG13  ILE  44          1HG1      ILE  44  11.978   6.308   1.301
  283   HG21  ILE  44          1HG2      ILE  44  10.167   7.672   2.112
  284   HG22  ILE  44          2HG2      ILE  44   9.099   6.381   2.660
  285   HG23  ILE  44          3HG2      ILE  44   8.541   7.528   1.443
  286   HD11  ILE  44          3HD1      ILE  44  11.813   5.069   3.177
  287   HD12  ILE  44          1HD1      ILE  44  11.223   3.675   2.272
  288   HD13  ILE  44          2HD1      ILE  44  10.092   4.908   2.830
  289    H    CYS  45           H        CYS  45   7.496   3.556   2.006
  290    HA   CYS  45           HA       CYS  45   5.127   5.341   1.705
  291    HB2  CYS  45           HB2      CYS  45   3.998   3.416   2.990
  292    HB3  CYS  45           HB1      CYS  45   4.476   3.104   1.323
  293    H    ARG  46           H        ARG  46   7.622   4.405   3.847
  294    HA   ARG  46           HA       ARG  46   6.737   6.360   5.833
  295    HB2  ARG  46           HB2      ARG  46   6.194   3.499   6.195
  296    HB3  ARG  46           HB1      ARG  46   7.108   4.206   7.527
  297    HG2  ARG  46           HG2      ARG  46   5.360   5.494   8.208
  298    HG3  ARG  46           HG1      ARG  46   4.865   5.864   6.555
  299    HD2  ARG  46           HD2      ARG  46   3.322   4.219   6.558
  300    HD3  ARG  46           HD1      ARG  46   4.483   3.046   7.182
  301    HE   ARG  46           HE       ARG  46   3.204   4.979   9.057
  302   HH11  ARG  46          1HH1      ARG  46   1.569   2.547   8.166
  303   HH12  ARG  46          2HH1      ARG  46   1.917   1.432   9.444
  304   HH21  ARG  46          1HH2      ARG  46   4.650   3.220  10.616
  305   HH22  ARG  46          2HH2      ARG  46   3.663   1.813  10.833
  306    H    ILE  47           H        ILE  47   8.321   5.582   7.970
  307    HA   ILE  47           HA       ILE  47  11.045   5.428   6.741
  308    HB   ILE  47           HB       ILE  47  10.442   7.684   7.685
  309   HG12  ILE  47          2HG1      ILE  47  12.502   7.550   9.398
  310   HG13  ILE  47          1HG1      ILE  47  12.711   5.981   8.619
  311   HG21  ILE  47          1HG2      ILE  47   9.184   6.343   9.644
  312   HG22  ILE  47          2HG2      ILE  47   9.823   7.969   9.884
  313   HG23  ILE  47          3HG2      ILE  47  10.745   6.569  10.434
  314   HD11  ILE  47          3HD1      ILE  47  13.990   7.472   7.292
  315   HD12  ILE  47          1HD1      ILE  47  12.743   8.719   7.346
  316   HD13  ILE  47          2HD1      ILE  47  12.489   7.258   6.391
  317    H    ALA  48           H        ALA  48  12.139   3.645   7.389
  318    HA   ALA  48           HA       ALA  48  11.202   1.670   9.116
  319    HB1  ALA  48           HB1      ALA  48  13.804   2.386   7.959
  320    HB2  ALA  48           HB2      ALA  48  13.054   0.801   8.140
  321    HB3  ALA  48           HB3      ALA  48  13.937   1.517   9.488
  322    H    ARG  49           H        ARG  49  11.749   1.120  11.332
  323    HA   ARG  49           HA       ARG  49  11.791   3.463  13.084
  324    HB2  ARG  49           HB2      ARG  49  11.355   0.541  13.379
  325    HB3  ARG  49           HB1      ARG  49  12.033   1.365  14.785
  326    HG2  ARG  49           HG2      ARG  49  10.167   3.106  14.446
  327    HG3  ARG  49           HG1      ARG  49   9.420   1.917  13.378
  328    HD2  ARG  49           HD2      ARG  49   8.801   0.578  15.105
  329    HD3  ARG  49           HD1      ARG  49  10.327   0.816  15.956
  330    HE   ARG  49           HE       ARG  49   9.401   2.822  16.963
  331   HH11  ARG  49          1HH2      ARG  49   7.231   0.936  17.623
  332   HH12  ARG  49          2HH2      ARG  49   5.819   1.746  17.033
  333   HH21  ARG  49          1HH1      ARG  49   7.593   3.938  15.016
  334   HH22  ARG  49          2HH1      ARG  49   6.023   3.445  15.557
  335    H    GLY  50           H        GLY  50  14.001   4.118  12.236
  336    HA2  GLY  50           HA2      GLY  50  16.051   4.138  13.930
  337    HA3  GLY  50           HA1      GLY  50  16.225   2.491  13.330
  338    H    ASP  51           H        ASP  51  17.173   2.180  11.346
  339    HA   ASP  51           HA       ASP  51  17.283   4.136   9.254
  340    HB2  ASP  51           HB2      ASP  51  19.148   4.552  11.373
  341    HB3  ASP  51           HB1      ASP  51  20.052   3.966   9.976
  342    H    TRP  52           H        TRP  52  16.606   1.614   8.933
  343    HA   TRP  52           HA       TRP  52  19.025   0.348   7.728
  344    HB2  TRP  52           HB2      TRP  52  17.661  -1.861   8.322
  345    HB3  TRP  52           HB1      TRP  52  18.747  -1.116   9.490
  346    HD1  TRP  52           HD       TRP  52  15.093  -0.261   8.490
  347    HE1  TRP  52           HE1      TRP  52  13.699  -0.101  10.650
  348    HE3  TRP  52           HE3      TRP  52  18.670  -1.442  11.940
  349    HZ2  TRP  52           HZ2      TRP  52  14.051  -0.428  13.469
  350    HZ3  TRP  52           HZ3      TRP  52  18.112  -1.505  14.354
  351    HH2  TRP  52           HH       TRP  52  15.810  -1.002  15.122
  352    H    ASN  53           H        ASN  53  16.100  -1.441   7.489
  353    HA   ASN  53           HA       ASN  53  15.955  -0.726   4.625
  354    HB2  ASN  53           HB2      ASN  53  14.638  -2.901   6.273
  355    HB3  ASN  53           HB1      ASN  53  14.313  -2.649   4.557
  356   HD21  ASN  53          1HD2      ASN  53  15.561  -5.061   5.599
  357   HD22  ASN  53          2HD2      ASN  53  17.141  -5.126   4.981
  358    H    ASP  54           H        ASP  54  14.860   1.231   4.492
  359    HA   ASP  54           HA       ASP  54  12.682   2.060   6.106
  360    HB2  ASP  54           HB2      ASP  54  12.938   2.786   3.187
  361    HB3  ASP  54           HB1      ASP  54  12.344   3.782   4.517
  362    H    ASP  55           H        ASP  55  10.380   2.346   5.239
  363    HA   ASP  55           HA       ASP  55   9.391  -0.279   4.393
  364    HB2  ASP  55           HB2      ASP  55   7.675   2.181   4.645
  365    HB3  ASP  55           HB1      ASP  55   7.264   0.502   5.000
  366    H    ARG  56           H        ARG  56   9.342  -0.796   2.259
  367    HA   ARG  56           HA       ARG  56   8.897   1.415   0.295
  368    HB2  ARG  56           HB2      ARG  56  10.139  -1.298  -0.220
  369    HB3  ARG  56           HB1      ARG  56  10.075   0.070  -1.330
  370    HG2  ARG  56           HG2      ARG  56  11.274   0.670   1.301
  371    HG3  ARG  56           HG1      ARG  56  12.194  -0.460   0.308
  372    HD2  ARG  56           HD2      ARG  56  12.192   1.126  -1.556
  373    HD3  ARG  56           HD1      ARG  56  11.191   2.244  -0.630
  374    HE   ARG  56           HE       ARG  56  13.407   1.847   0.984
  375   HH11  ARG  56          1HH2      ARG  56  12.867   2.731  -2.311
  376   HH12  ARG  56          2HH2      ARG  56  14.263   3.750  -2.400
  377   HH21  ARG  56          1HH1      ARG  56  15.214   3.194   0.886
  378   HH22  ARG  56          2HH1      ARG  56  15.591   4.012  -0.593
  379    H    CYS  57           H        CYS  57   6.956   1.385  -0.722
  380    HA   CYS  57           HA       CYS  57   4.961  -0.572  -0.246
  381    HB2  CYS  57           HB2      CYS  57   5.335   1.559  -2.314
  382    HB3  CYS  57           HB1      CYS  57   4.048   0.377  -2.533
  383    H    THR  58           H        THR  58   4.276  -2.354  -1.450
  384    HA   THR  58           HA       THR  58   6.319  -3.764  -2.933
  385    HB   THR  58           HB       THR  58   4.217  -5.290  -3.406
  386    HG1  THR  58           HG1      THR  58   2.819  -4.849  -1.453
  387   HG21  THR  58          3HG2      THR  58   5.737  -4.811  -0.874
  388   HG22  THR  58          1HG2      THR  58   5.769  -6.208  -1.950
  389   HG23  THR  58          2HG2      THR  58   4.408  -5.971  -0.854
  390    H    GLY  59           H        GLY  59   4.061  -1.385  -3.777
  391    HA2  GLY  59           HA2      GLY  59   4.135  -0.406  -6.009
  392    HA3  GLY  59           HA1      GLY  59   4.502  -2.003  -6.658
  393    H    GLN  60           H        GLN  60   2.658  -3.668  -6.161
  394    HA   GLN  60           HA       GLN  60   0.184  -2.469  -7.186
  395    HB2  GLN  60           HB2      GLN  60  -0.598  -4.872  -7.199
  396    HB3  GLN  60           HB1      GLN  60   0.856  -4.574  -8.153
  397    HG2  GLN  60           HG2      GLN  60   1.976  -6.086  -6.924
  398    HG3  GLN  60           HG1      GLN  60   1.668  -5.132  -5.472
  399   HE21  GLN  60          1HE2      GLN  60   0.878  -8.070  -7.100
  400   HE22  GLN  60          2HE2      GLN  60  -0.364  -8.572  -6.057
  401    H    SER  61           H        SER  61   1.458  -2.921  -4.116
  402    HA   SER  61           HA       SER  61  -1.198  -3.470  -2.891
  403    HB2  SER  61           HB2      SER  61   1.456  -3.114  -1.483
  404    HB3  SER  61           HB1      SER  61  -0.013  -3.832  -0.831
  405    HG   SER  61           HG       SER  61   0.309  -5.285  -2.817
  406    H    ALA  62           H        ALA  62  -2.423  -1.634  -2.711
  407    HA   ALA  62           HA       ALA  62  -1.391   1.025  -2.605
  408    HB1  ALA  62           HB1      ALA  62  -3.638   1.053  -3.133
  409    HB2  ALA  62           HB2      ALA  62  -3.754   1.379  -1.404
  410    HB3  ALA  62           HB3      ALA  62  -4.028  -0.254  -2.015
  411    H    ASP  63           H        ASP  63  -2.392  -1.214  -0.021
  412    HA   ASP  63           HA       ASP  63  -1.655   0.694   2.070
  413    HB2  ASP  63           HB2      ASP  63  -3.157  -1.705   1.938
  414    HB3  ASP  63           HB1      ASP  63  -1.795  -2.032   3.010
  415    H    CYS  64           H        CYS  64   0.478   1.129   2.324
  416    HA   CYS  64           HA       CYS  64   2.641  -0.325   1.347
  417    HB2  CYS  64           HB2      CYS  64   3.120   1.833   2.147
  418    HB3  CYS  64           HB1      CYS  64   2.377   1.533   3.708
  419    HA   PRO  65           HA       PRO  65   2.527  -3.947   3.858
  420    HB2  PRO  65           HB2      PRO  65   4.611  -5.135   2.538
  421    HB3  PRO  65           HB1      PRO  65   2.963  -5.117   1.914
  422    HG2  PRO  65           HG2      PRO  65   5.344  -3.594   1.010
  423    HG3  PRO  65           HG1      PRO  65   3.876  -4.020   0.114
  424    HD2  PRO  65           HD2      PRO  65   4.476  -1.496   1.260
  425    HD3  PRO  65           HD1      PRO  65   2.915  -2.007   0.586
  426    H    ARG  66           H        ARG  66   4.049  -5.004   5.376
  427    HA   ARG  66           HA       ARG  66   5.899  -3.105   6.585
  428    HB2  ARG  66           HB2      ARG  66   4.679  -4.557   8.068
  429    HB3  ARG  66           HB1      ARG  66   5.222  -5.993   7.199
  430    HG2  ARG  66           HG2      ARG  66   7.326  -4.173   8.269
  431    HG3  ARG  66           HG1      ARG  66   6.436  -5.153   9.435
  432    HD2  ARG  66           HD2      ARG  66   6.937  -7.028   7.547
  433    HD3  ARG  66           HD1      ARG  66   8.347  -5.994   7.326
  434    HE   ARG  66           HE       ARG  66   8.536  -6.286   9.942
  435   HH11  ARG  66          1HH2      ARG  66   6.379  -8.385   9.972
  436   HH12  ARG  66          2HH2      ARG  66   7.303  -9.846   9.871
  437   HH21  ARG  66          1HH1      ARG  66  10.193  -8.259   8.801
  438   HH22  ARG  66          2HH1      ARG  66   9.461  -9.776   9.209
  439    H    ASN  67           H        ASN  67   7.823  -2.760   5.561
  440    HA   ASN  67           HA       ASN  67   9.180  -5.066   4.260
  441    HB2  ASN  67           HB2      ASN  67   8.784  -2.655   3.222
  442    HB3  ASN  67           HB1      ASN  67  10.247  -2.271   4.132
  443   HD21  ASN  67          1HD2      ASN  67   9.166  -3.497   1.168
  444   HD22  ASN  67          2HD2      ASN  67  10.595  -4.272   0.680
  445    H    GLY  68           H        GLY  68   9.089  -3.861   7.264
  446    HA2  GLY  68           HA2      GLY  68  11.848  -3.377   7.900
  447    HA3  GLY  68           HA1      GLY  68  10.599  -3.821   9.063
  448    H    LEU  69           H        LEU  69  13.287  -4.849   9.094
  449    HA   LEU  69           HA       LEU  69  13.096  -7.599   8.036
  450    HB2  LEU  69           HB2      LEU  69  15.398  -7.783   9.156
  451    HB3  LEU  69           HB1      LEU  69  15.269  -6.647   7.812
  452    HG   LEU  69           HG       LEU  69  14.575  -5.453  10.400
  453   HD11  LEU  69          1HD1      LEU  69  16.685  -5.530  11.441
  454   HD12  LEU  69          2HD1      LEU  69  17.491  -6.086   9.974
  455   HD13  LEU  69          3HD1      LEU  69  16.456  -7.187  10.883
  456   HD21  LEU  69          3HD2      LEU  69  15.839  -4.795   7.854
  457   HD22  LEU  69          1HD2      LEU  69  16.732  -4.125   9.219
  458   HD23  LEU  69          2HD2      LEU  69  15.027  -3.733   9.003
  459    H    TYR  70           H        TYR  70  11.456  -6.403  10.380
  460    HA   TYR  70           HA       TYR  70  11.734  -8.793  12.091
  461    HB2  TYR  70           HB2      TYR  70  11.652  -7.249  14.151
  462    HB3  TYR  70           HB1      TYR  70  13.198  -7.375  13.311
  463    HD1  TYR  70           HD1      TYR  70  10.132  -5.285  13.643
  464    HD2  TYR  70           HD2      TYR  70  14.203  -5.480  12.287
  465    HE1  TYR  70           HE1      TYR  70  10.117  -2.837  13.245
  466    HE2  TYR  70           HE2      TYR  70  14.188  -3.033  11.889
  467    HH   TYR  70           HH       TYR  70  11.963  -1.269  11.387
  468    H    GLY  71           H        GLY  71   9.811  -9.188  13.340
  469    HA2  GLY  71           HA2      GLY  71   7.444  -7.724  12.281
  470    HA3  GLY  71           HA1      GLY  71   7.406  -9.330  13.010
  Start of MODEL   15
    1    H    GLY   1           HT1      GLY   1 -19.806 -10.669   5.085
    2    HA2  GLY   1           HA1      GLY   1 -19.913  -9.751   2.627
    3    HA3  GLY   1           HA2      GLY   1 -20.528  -8.834   4.001
    4    H    LYS   2           H        LYS   2 -17.916  -9.116   1.683
    5    HA   LYS   2           HA       LYS   2 -16.623  -6.678   2.795
    6    HB2  LYS   2           HB2      LYS   2 -15.709  -8.489   0.539
    7    HB3  LYS   2           HB1      LYS   2 -14.765  -7.208   1.302
    8    HG2  LYS   2           HG2      LYS   2 -15.355  -8.569   3.511
    9    HG3  LYS   2           HG1      LYS   2 -15.515  -9.902   2.368
   10    HD2  LYS   2           HD2      LYS   2 -13.206  -8.963   1.460
   11    HD3  LYS   2           HD1      LYS   2 -13.085  -8.310   3.094
   12    HE2  LYS   2           HE2      LYS   2 -13.752 -10.716   3.849
   13    HE3  LYS   2           HE1      LYS   2 -13.256 -11.186   2.224
   14    HZ1  LYS   2           HZ1      LYS   2 -11.104 -10.170   2.620
   15    HZ2  LYS   2           HZ2      LYS   2 -11.427 -11.356   3.791
   16    HZ3  LYS   2           HZ3      LYS   2 -11.581  -9.709   4.181
   17    H    GLU   3           H        GLU   3 -17.877  -4.959   2.087
   18    HA   GLU   3           HA       GLU   3 -18.156  -4.683  -0.879
   19    HB2  GLU   3           HB2      GLU   3 -20.258  -4.974   0.940
   20    HB3  GLU   3           HB1      GLU   3 -20.187  -3.239   0.630
   21    HG2  GLU   3           HG2      GLU   3 -20.449  -3.546  -1.719
   22    HG3  GLU   3           HG1      GLU   3 -20.136  -5.279  -1.601
   23    H    CYS   4           H        CYS   4 -16.528  -3.536   1.662
   24    HA   CYS   4           HA       CYS   4 -16.583  -0.731   0.609
   25    HB2  CYS   4           HB2      CYS   4 -16.307  -1.696   3.470
   26    HB3  CYS   4           HB1      CYS   4 -15.958  -0.044   2.971
   27    H    ASP   5           H        ASP   5 -14.773  -0.917  -0.688
   28    HA   ASP   5           HA       ASP   5 -12.320  -2.170   0.353
   29    HB2  ASP   5           HB2      ASP   5 -13.411  -1.932  -2.171
   30    HB3  ASP   5           HB1      ASP   5 -12.148  -0.700  -2.190
   31    H    CYS   6           H        CYS   6 -13.689   0.723   0.934
   32    HA   CYS   6           HA       CYS   6 -11.043   1.988   1.367
   33    HB2  CYS   6           HB2      CYS   6 -11.787   4.117   0.381
   34    HB3  CYS   6           HB1      CYS   6 -11.823   2.833  -0.827
   35    H    SER   7           H        SER   7 -11.242   3.882   2.864
   36    HA   SER   7           HA       SER   7 -13.573   3.497   4.696
   37    HB2  SER   7           HB2      SER   7 -10.770   3.533   5.187
   38    HB3  SER   7           HB1      SER   7 -11.445   4.985   5.921
   39    HG   SER   7           HG       SER   7 -11.469   2.726   7.024
   40    H    SER   8           H        SER   8 -12.350   5.602   2.404
   41    HA   SER   8           HA       SER   8 -13.466   7.997   3.790
   42    HB2  SER   8           HB2      SER   8 -12.203   8.462   1.196
   43    HB3  SER   8           HB1      SER   8 -11.873   9.215   2.753
   44    HG   SER   8           HG       SER   8 -10.284   7.868   3.039
   45    HA   PRO   9           HA       PRO   9 -16.853   7.158   0.919
   46    HB2  PRO   9           HB2      PRO   9 -18.715   8.529   2.402
   47    HB3  PRO   9           HB1      PRO   9 -18.244   6.853   2.731
   48    HG2  PRO   9           HG2      PRO   9 -17.532   9.326   4.229
   49    HG3  PRO   9           HG1      PRO   9 -17.608   7.652   4.800
   50    HD2  PRO   9           HD2      PRO   9 -15.252   9.093   4.127
   51    HD3  PRO   9           HD1      PRO   9 -15.368   7.348   4.442
   52    H    GLU  10           H        GLU  10 -14.893   9.520   0.801
   53    HA   GLU  10           HA       GLU  10 -16.654  11.278  -0.780
   54    HB2  GLU  10           HB2      GLU  10 -16.114  11.997   1.827
   55    HB3  GLU  10           HB1      GLU  10 -14.823  12.813   0.942
   56    HG2  GLU  10           HG2      GLU  10 -16.668  13.618  -0.664
   57    HG3  GLU  10           HG1      GLU  10 -17.808  13.104   0.579
   58    H    ASN  11           H        ASN  11 -14.254   9.373  -0.948
   59    HA   ASN  11           HA       ASN  11 -12.236  11.226  -2.096
   60    HB2  ASN  11           HB2      ASN  11 -10.762   9.263  -2.114
   61    HB3  ASN  11           HB1      ASN  11 -11.470   9.467  -0.515
   62   HD21  ASN  11          1HD2      ASN  11 -10.513   6.914  -1.507
   63   HD22  ASN  11          2HD2      ASN  11 -11.852   5.881  -1.640
   64    HA   PRO  12           HA       PRO  12 -13.636  10.212  -6.152
   65    HB2  PRO  12           HB2      PRO  12 -11.439  11.133  -7.521
   66    HB3  PRO  12           HB1      PRO  12 -12.671  12.194  -6.816
   67    HG2  PRO  12           HG2      PRO  12  -9.903  11.638  -5.858
   68    HG3  PRO  12           HG1      PRO  12 -10.911  13.073  -5.604
   69    HD2  PRO  12           HD2      PRO  12 -10.456  11.003  -3.721
   70    HD3  PRO  12           HD1      PRO  12 -11.697  12.270  -3.606
   71    H    CYS  13           H        CYS  13 -12.495   7.953  -4.755
   72    HA   CYS  13           HA       CYS  13 -11.059   6.654  -7.027
   73    HB2  CYS  13           HB2      CYS  13 -10.465   6.284  -4.073
   74    HB3  CYS  13           HB1      CYS  13  -9.705   5.391  -5.388
   75    H    CYS  14           H        CYS  14 -12.945   6.134  -4.041
   76    HA   CYS  14           HA       CYS  14 -14.056   3.669  -5.322
   77    HB2  CYS  14           HB2      CYS  14 -14.396   2.756  -3.114
   78    HB3  CYS  14           HB1      CYS  14 -12.731   3.336  -3.194
   79    H    ASP  15           H        ASP  15 -16.339   3.274  -4.948
   80    HA   ASP  15           HA       ASP  15 -17.936   5.713  -5.050
   81    HB2  ASP  15           HB2      ASP  15 -18.388   3.532  -6.323
   82    HB3  ASP  15           HB1      ASP  15 -18.958   2.881  -4.784
   83    H    ALA  16           H        ALA  16 -19.229   6.533  -3.407
   84    HA   ALA  16           HA       ALA  16 -18.653   5.680  -0.689
   85    HB1  ALA  16           HB1      ALA  16 -19.653   7.642  -0.065
   86    HB2  ALA  16           HB2      ALA  16 -21.001   7.426  -1.181
   87    HB3  ALA  16           HB3      ALA  16 -19.456   8.039  -1.772
   88    H    ALA  17           H        ALA  17 -21.359   5.313  -2.940
   89    HA   ALA  17           HA       ALA  17 -23.204   4.156  -1.070
   90    HB1  ALA  17           HB1      ALA  17 -23.181   4.786  -3.829
   91    HB2  ALA  17           HB2      ALA  17 -24.552   4.222  -2.873
   92    HB3  ALA  17           HB3      ALA  17 -23.531   3.061  -3.722
   93    H    THR  18           H        THR  18 -20.751   2.740  -3.217
   94    HA   THR  18           HA       THR  18 -21.252   0.097  -1.916
   95    HB   THR  18           HB       THR  18 -20.164  -0.907  -3.856
   96    HG1  THR  18           HG1      THR  18 -18.980   0.241  -5.157
   97   HG21  THR  18          3HG2      THR  18 -22.444  -0.635  -4.308
   98   HG22  THR  18          1HG2      THR  18 -21.690   0.163  -5.688
   99   HG23  THR  18          2HG2      THR  18 -22.325   1.124  -4.352
  100    H    CYS  19           H        CYS  19 -19.431   2.649  -1.336
  101    HA   CYS  19           HA       CYS  19 -17.175   3.043  -0.699
  102    HB2  CYS  19           HB2      CYS  19 -16.595   1.236   1.135
  103    HB3  CYS  19           HB1      CYS  19 -17.838   2.439   1.423
  104    H    LYS  20           H        LYS  20 -17.191   1.563  -3.152
  105    HA   LYS  20           HA       LYS  20 -14.666   0.030  -2.725
  106    HB2  LYS  20           HB2      LYS  20 -17.013  -0.883  -4.412
  107    HB3  LYS  20           HB1      LYS  20 -15.422  -1.646  -4.405
  108    HG2  LYS  20           HG2      LYS  20 -16.252  -1.383  -1.693
  109    HG3  LYS  20           HG1      LYS  20 -17.602  -2.074  -2.595
  110    HD2  LYS  20           HD2      LYS  20 -14.755  -3.105  -2.750
  111    HD3  LYS  20           HD1      LYS  20 -16.005  -3.803  -1.719
  112    HE2  LYS  20           HE2      LYS  20 -16.088  -3.578  -4.742
  113    HE3  LYS  20           HE1      LYS  20 -15.889  -5.061  -3.808
  114    HZ1  LYS  20           HZ1      LYS  20 -18.135  -5.038  -4.264
  115    HZ2  LYS  20           HZ2      LYS  20 -18.274  -3.354  -4.091
  116    HZ3  LYS  20           HZ3      LYS  20 -18.089  -4.339  -2.720
  117    H    LEU  21           H        LEU  21 -13.567  -0.343  -4.952
  118    HA   LEU  21           HA       LEU  21 -13.137   2.188  -6.186
  119    HB2  LEU  21           HB2      LEU  21 -12.477  -0.638  -7.022
  120    HB3  LEU  21           HB1      LEU  21 -12.042   0.750  -8.021
  121    HG   LEU  21           HG       LEU  21 -11.220   1.517  -5.487
  122   HD11  LEU  21          1HD1      LEU  21 -11.666  -1.096  -5.100
  123   HD12  LEU  21          2HD1      LEU  21 -10.306  -0.266  -4.344
  124   HD13  LEU  21          3HD1      LEU  21 -10.057  -1.213  -5.810
  125   HD21  LEU  21          3HD2      LEU  21 -10.156   1.323  -7.985
  126   HD22  LEU  21          1HD2      LEU  21  -9.234   0.073  -7.149
  127   HD23  LEU  21          2HD2      LEU  21  -9.210   1.733  -6.555
  128    H    ARG  22           H        ARG  22 -14.537   3.267  -7.464
  129    HA   ARG  22           HA       ARG  22 -16.679   1.802  -8.843
  130    HB2  ARG  22           HB2      ARG  22 -17.620   3.738  -8.064
  131    HB3  ARG  22           HB1      ARG  22 -16.115   4.640  -8.157
  132    HG2  ARG  22           HG2      ARG  22 -17.693   5.516  -9.806
  133    HG3  ARG  22           HG1      ARG  22 -16.360   4.719 -10.644
  134    HD2  ARG  22           HD2      ARG  22 -17.810   2.623 -10.689
  135    HD3  ARG  22           HD1      ARG  22 -19.147   3.643 -10.159
  136    HE   ARG  22           HE       ARG  22 -17.654   4.192 -12.694
  137   HH11  ARG  22          1HH1      ARG  22 -20.221   5.220 -10.850
  138   HH12  ARG  22          2HH1      ARG  22 -21.415   5.103 -12.099
  139   HH21  ARG  22          1HH2      ARG  22 -19.322   3.444 -14.309
  140   HH22  ARG  22          2HH2      ARG  22 -20.906   4.098 -14.058
  141    HA   PRO  23           HA       PRO  23 -14.386   3.541 -12.643
  142    HB2  PRO  23           HB2      PRO  23 -11.978   4.801 -12.236
  143    HB3  PRO  23           HB1      PRO  23 -13.538   5.644 -12.240
  144    HG2  PRO  23           HG2      PRO  23 -11.788   4.952  -9.932
  145    HG3  PRO  23           HG1      PRO  23 -12.982   6.252 -10.085
  146    HD2  PRO  23           HD2      PRO  23 -13.343   3.793  -8.716
  147    HD3  PRO  23           HD1      PRO  23 -14.610   4.973  -9.112
  148    H    GLY  24           H        GLY  24 -11.784   3.290 -13.529
  149    HA2  GLY  24           HA2      GLY  24 -11.240   0.456 -12.957
  150    HA3  GLY  24           HA1      GLY  24 -10.464   1.427 -14.208
  151    H    ALA  25           H        ALA  25 -10.754   2.037 -10.708
  152    HA   ALA  25           HA       ALA  25  -7.853   2.575 -10.612
  153    HB1  ALA  25           HB1      ALA  25 -10.213   3.161  -8.902
  154    HB2  ALA  25           HB2      ALA  25  -8.832   4.182  -9.302
  155    HB3  ALA  25           HB3      ALA  25  -8.678   2.935  -8.063
  156    H    GLN  26           H        GLN  26  -6.484   1.513  -9.005
  157    HA   GLN  26           HA       GLN  26  -7.250  -1.328  -8.635
  158    HB2  GLN  26           HB2      GLN  26  -4.774   0.121  -9.044
  159    HB3  GLN  26           HB1      GLN  26  -4.666  -0.887  -7.600
  160    HG2  GLN  26           HG2      GLN  26  -4.229  -2.597  -9.016
  161    HG3  GLN  26           HG1      GLN  26  -5.947  -2.541  -9.414
  162   HE21  GLN  26          1HE2      GLN  26  -6.339  -2.325 -11.613
  163   HE22  GLN  26          2HE2      GLN  26  -5.298  -1.576 -12.726
  164    H    CYS  27           H        CYS  27  -7.030   1.603  -6.857
  165    HA   CYS  27           HA       CYS  27  -7.814   0.179  -4.399
  166    HB2  CYS  27           HB2      CYS  27  -6.046   1.447  -3.084
  167    HB3  CYS  27           HB1      CYS  27  -5.424   0.151  -4.103
  168    H    GLY  28           H        GLY  28  -8.463   1.787  -2.691
  169    HA2  GLY  28           HA2      GLY  28  -9.570   4.231  -3.984
  170    HA3  GLY  28           HA1      GLY  28 -10.247   3.463  -2.555
  171    H    GLU  29           H        GLU  29  -7.940   3.089  -1.060
  172    HA   GLU  29           HA       GLU  29  -6.626   5.728  -0.869
  173    HB2  GLU  29           HB2      GLU  29  -7.254   5.949   1.497
  174    HB3  GLU  29           HB1      GLU  29  -8.679   5.942   0.470
  175    HG2  GLU  29           HG2      GLU  29  -9.426   3.963   1.296
  176    HG3  GLU  29           HG1      GLU  29  -7.804   3.273   1.369
  177    H    GLY  30           H        GLY  30  -4.686   5.633   0.452
  178    HA2  GLY  30           HA2      GLY  30  -3.714   3.654   2.076
  179    HA3  GLY  30           HA1      GLY  30  -3.474   2.966   0.470
  180    H    LEU  31           H        LEU  31  -1.184   3.319   1.747
  181    HA   LEU  31           HA       LEU  31  -0.072   5.999   1.435
  182    HB2  LEU  31           HB2      LEU  31   0.676   3.625   2.775
  183    HB3  LEU  31           HB1      LEU  31   1.942   3.932   1.586
  184    HG   LEU  31           HG       LEU  31   2.491   5.094   3.658
  185   HD11  LEU  31          1HD1      LEU  31   1.451   7.098   1.636
  186   HD12  LEU  31          2HD1      LEU  31   2.947   6.189   1.433
  187   HD13  LEU  31          3HD1      LEU  31   2.781   7.327   2.770
  188   HD21  LEU  31          3HD2      LEU  31  -0.192   6.467   3.296
  189   HD22  LEU  31          1HD2      LEU  31   0.984   6.822   4.561
  190   HD23  LEU  31          2HD2      LEU  31   0.174   5.255   4.525
  191    H    CYS  32           H        CYS  32   0.585   2.862  -0.165
  192    HA   CYS  32           HA       CYS  32   2.001   4.253  -2.335
  193    HB2  CYS  32           HB2      CYS  32   2.800   2.057  -1.496
  194    HB3  CYS  32           HB1      CYS  32   1.290   1.322  -2.035
  195    H    CYS  33           H        CYS  33  -0.390   5.338  -2.548
  196    HA   CYS  33           HA       CYS  33  -1.476   4.069  -4.972
  197    HB2  CYS  33           HB2      CYS  33  -2.913   4.181  -2.380
  198    HB3  CYS  33           HB1      CYS  33  -3.845   4.651  -3.803
  199    H    GLU  34           H        GLU  34  -1.421   5.704  -6.395
  200    HA   GLU  34           HA       GLU  34  -2.276   8.414  -5.458
  201    HB2  GLU  34           HB2      GLU  34  -0.298   7.806  -7.674
  202    HB3  GLU  34           HB1      GLU  34  -0.687   9.390  -7.003
  203    HG2  GLU  34           HG2      GLU  34   0.557   9.048  -5.104
  204    HG3  GLU  34           HG1      GLU  34   0.235   7.314  -5.080
  205    H    GLN  35           H        GLN  35  -3.840   9.416  -6.708
  206    HA   GLN  35           HA       GLN  35  -5.458   9.671  -8.391
  207    HB2  GLN  35           HB2      GLN  35  -3.158   8.401  -9.746
  208    HB3  GLN  35           HB1      GLN  35  -4.712   8.155 -10.544
  209    HG2  GLN  35           HG2      GLN  35  -4.540  10.886  -9.671
  210    HG3  GLN  35           HG1      GLN  35  -3.088  10.487 -10.590
  211   HE21  GLN  35          1HE2      GLN  35  -6.143  11.694 -11.023
  212   HE22  GLN  35          2HE2      GLN  35  -6.430  11.185 -12.618
  213    H    CYS  36           H        CYS  36  -5.221   7.216  -6.507
  214    HA   CYS  36           HA       CYS  36  -6.733   5.473  -6.026
  215    HB2  CYS  36           HB2      CYS  36  -8.006   5.833  -8.732
  216    HB3  CYS  36           HB1      CYS  36  -8.745   5.285  -7.225
  217    H    LYS  37           H        LYS  37  -4.177   5.013  -7.238
  218    HA   LYS  37           HA       LYS  37  -4.747   2.385  -8.480
  219    HB2  LYS  37           HB2      LYS  37  -3.729   4.699  -9.934
  220    HB3  LYS  37           HB1      LYS  37  -2.609   3.337 -10.001
  221    HG2  LYS  37           HG2      LYS  37  -4.525   1.868 -10.681
  222    HG3  LYS  37           HG1      LYS  37  -5.542   3.306 -10.762
  223    HD2  LYS  37           HD2      LYS  37  -3.417   4.121 -12.254
  224    HD3  LYS  37           HD1      LYS  37  -3.418   2.393 -12.610
  225    HE2  LYS  37           HE2      LYS  37  -6.084   2.958 -12.790
  226    HE3  LYS  37           HE1      LYS  37  -5.381   4.471 -13.361
  227    HZ1  LYS  37           HZ1      LYS  37  -3.871   2.617 -14.603
  228    HZ2  LYS  37           HZ2      LYS  37  -5.206   3.406 -15.298
  229    HZ3  LYS  37           HZ3      LYS  37  -5.392   1.870 -14.597
  230    H    PHE  38           H        PHE  38  -2.605   1.110  -8.669
  231    HA   PHE  38           HA       PHE  38  -1.185   1.382  -6.130
  232    HB2  PHE  38           HB2      PHE  38  -0.868  -0.506  -8.477
  233    HB3  PHE  38           HB1      PHE  38   0.163  -0.571  -7.052
  234    HD1  PHE  38           HD2      PHE  38  -1.557  -0.097  -4.809
  235    HD2  PHE  38           HD1      PHE  38  -2.395  -2.269  -8.419
  236    HE1  PHE  38           HE2      PHE  38  -3.271  -1.431  -3.612
  237    HE2  PHE  38           HE1      PHE  38  -4.108  -3.601  -7.221
  238    HZ   PHE  38           HZ       PHE  38  -4.548  -3.179  -4.816
  239    H    SER  39           H        SER  39   0.609   2.624  -5.843
  240    HA   SER  39           HA       SER  39   1.860   4.031  -8.022
  241    HB2  SER  39           HB2      SER  39   3.442   3.657  -5.543
  242    HB3  SER  39           HB1      SER  39   3.002   5.141  -6.385
  243    HG   SER  39           HG       SER  39   1.058   5.132  -5.392
  244    H    ARG  40           H        ARG  40   4.659   3.442  -6.926
  245    HA   ARG  40           HA       ARG  40   5.010   0.846  -8.371
  246    HB2  ARG  40           HB2      ARG  40   7.001   3.124  -8.125
  247    HB3  ARG  40           HB1      ARG  40   7.204   1.652  -9.077
  248    HG2  ARG  40           HG2      ARG  40   5.490   2.271 -10.602
  249    HG3  ARG  40           HG1      ARG  40   4.877   3.527  -9.526
  250    HD2  ARG  40           HD2      ARG  40   7.088   4.716  -9.792
  251    HD3  ARG  40           HD1      ARG  40   7.506   3.533 -11.033
  252    HE   ARG  40           HE       ARG  40   5.404   5.616 -11.270
  253   HH11  ARG  40          1HH2      ARG  40   7.758   5.262 -13.154
  254   HH12  ARG  40          2HH2      ARG  40   6.998   4.504 -14.512
  255   HH21  ARG  40          1HH1      ARG  40   4.141   3.620 -12.760
  256   HH22  ARG  40          2HH1      ARG  40   4.952   3.574 -14.289
  257    H    ALA  41           H        ALA  41   6.637  -0.596  -7.512
  258    HA   ALA  41           HA       ALA  41   6.741  -0.640  -4.625
  259    HB1  ALA  41           HB1      ALA  41   7.862  -2.701  -4.852
  260    HB2  ALA  41           HB2      ALA  41   8.573  -2.247  -6.401
  261    HB3  ALA  41           HB3      ALA  41   6.857  -2.630  -6.298
  262    H    GLY  42           H        GLY  42   8.854  -0.809  -3.422
  263    HA2  GLY  42           HA2      GLY  42  10.946   0.094  -2.830
  264    HA3  GLY  42           HA1      GLY  42  11.233   0.381  -4.549
  265    H    LYS  43           H        LYS  43   8.316   1.570  -3.073
  266    HA   LYS  43           HA       LYS  43   9.435   4.340  -3.405
  267    HB2  LYS  43           HB2      LYS  43   7.578   4.515  -4.704
  268    HB3  LYS  43           HB1      LYS  43   6.813   3.117  -3.971
  269    HG2  LYS  43           HG2      LYS  43   6.106   4.464  -2.054
  270    HG3  LYS  43           HG1      LYS  43   6.955   5.865  -2.705
  271    HD2  LYS  43           HD2      LYS  43   5.460   5.340  -4.841
  272    HD3  LYS  43           HD1      LYS  43   4.416   4.591  -3.632
  273    HE2  LYS  43           HE2      LYS  43   3.630   6.792  -3.637
  274    HE3  LYS  43           HE1      LYS  43   4.798   6.832  -2.316
  275    HZ1  LYS  43           HZ1      LYS  43   4.792   8.434  -4.540
  276    HZ2  LYS  43           HZ2      LYS  43   6.040   7.317  -4.831
  277    HZ3  LYS  43           HZ3      LYS  43   6.057   8.266  -3.422
  278    H    ILE  44           H        ILE  44   9.635   5.643  -1.627
  279    HA   ILE  44           HA       ILE  44   9.426   4.568   0.987
  280    HB   ILE  44           HB       ILE  44   9.870   7.273  -0.177
  281   HG12  ILE  44          2HG1      ILE  44  11.715   5.751   0.351
  282   HG13  ILE  44          1HG1      ILE  44  11.780   7.163   1.408
  283   HG21  ILE  44          1HG2      ILE  44   8.988   6.842   2.696
  284   HG22  ILE  44          2HG2      ILE  44   8.204   7.869   1.496
  285   HG23  ILE  44          3HG2      ILE  44   9.797   8.299   2.119
  286   HD11  ILE  44          3HD1      ILE  44  10.223   5.601   2.931
  287   HD12  ILE  44          1HD1      ILE  44  11.983   5.524   3.015
  288   HD13  ILE  44          2HD1      ILE  44  11.093   4.336   2.063
  289    H    CYS  45           H        CYS  45   7.738   4.193   2.215
  290    HA   CYS  45           HA       CYS  45   5.160   5.570   1.598
  291    HB2  CYS  45           HB2      CYS  45   4.233   3.459   2.846
  292    HB3  CYS  45           HB1      CYS  45   4.702   3.329   1.152
  293    H    ARG  46           H        ARG  46   7.552   4.803   3.980
  294    HA   ARG  46           HA       ARG  46   6.305   6.668   5.831
  295    HB2  ARG  46           HB2      ARG  46   5.414   4.095   6.075
  296    HB3  ARG  46           HB1      ARG  46   6.780   4.093   7.191
  297    HG2  ARG  46           HG2      ARG  46   5.825   5.672   8.586
  298    HG3  ARG  46           HG1      ARG  46   4.892   6.411   7.284
  299    HD2  ARG  46           HD2      ARG  46   3.877   3.836   7.388
  300    HD3  ARG  46           HD1      ARG  46   4.161   4.219   9.085
  301    HE   ARG  46           HE       ARG  46   2.334   5.709   7.271
  302   HH11  ARG  46          1HH2      ARG  46   1.250   4.343   9.659
  303   HH12  ARG  46          2HH2      ARG  46   1.177   5.615  10.830
  304   HH21  ARG  46          1HH1      ARG  46   3.317   7.708   9.085
  305   HH22  ARG  46          2HH1      ARG  46   2.345   7.519  10.506
  306    H    ILE  47           H        ILE  47   7.756   7.344   7.480
  307    HA   ILE  47           HA       ILE  47  10.580   6.712   6.884
  308    HB   ILE  47           HB       ILE  47   9.692   9.082   7.248
  309   HG12  ILE  47          2HG1      ILE  47  11.685   9.664   8.762
  310   HG13  ILE  47          1HG1      ILE  47  11.992   7.928   8.837
  311   HG21  ILE  47          1HG2      ILE  47   8.861   9.728   9.270
  312   HG22  ILE  47          2HG2      ILE  47   9.997   8.721  10.167
  313   HG23  ILE  47          3HG2      ILE  47   8.539   8.007   9.480
  314   HD11  ILE  47          3HD1      ILE  47  11.743   8.146   6.189
  315   HD12  ILE  47          1HD1      ILE  47  13.282   8.449   6.996
  316   HD13  ILE  47          2HD1      ILE  47  12.250   9.800   6.525
  317    H    ALA  48           H        ALA  48  11.887   5.537   8.255
  318    HA   ALA  48           HA       ALA  48  10.619   3.949  10.326
  319    HB1  ALA  48           HB1      ALA  48  13.015   3.840   8.815
  320    HB2  ALA  48           HB2      ALA  48  12.405   2.634   9.948
  321    HB3  ALA  48           HB3      ALA  48  13.492   3.903  10.512
  322    H    ARG  49           H        ARG  49  10.500   4.394  12.482
  323    HA   ARG  49           HA       ARG  49  11.348   6.981  13.472
  324    HB2  ARG  49           HB2      ARG  49  10.544   4.618  15.178
  325    HB3  ARG  49           HB1      ARG  49  10.350   6.333  15.536
  326    HG2  ARG  49           HG2      ARG  49   8.409   6.466  14.379
  327    HG3  ARG  49           HG1      ARG  49   9.054   5.532  13.029
  328    HD2  ARG  49           HD2      ARG  49   8.809   3.469  14.516
  329    HD3  ARG  49           HD1      ARG  49   7.865   4.484  15.607
  330    HE   ARG  49           HE       ARG  49   6.800   4.754  12.976
  331   HH11  ARG  49          1HH2      ARG  49   5.250   4.083  15.496
  332   HH12  ARG  49          2HH2      ARG  49   4.654   2.501  15.122
  333   HH21  ARG  49          1HH1      ARG  49   6.859   2.003  12.492
  334   HH22  ARG  49          2HH1      ARG  49   5.565   1.323  13.421
  335    H    GLY  50           H        GLY  50  13.639   7.032  13.204
  336    HA2  GLY  50           HA2      GLY  50  15.424   6.727  15.103
  337    HA3  GLY  50           HA1      GLY  50  15.189   5.015  14.752
  338    H    ASP  51           H        ASP  51  16.513   4.159  13.222
  339    HA   ASP  51           HA       ASP  51  17.341   5.692  10.879
  340    HB2  ASP  51           HB2      ASP  51  19.010   5.668  13.245
  341    HB3  ASP  51           HB1      ASP  51  19.829   4.859  11.909
  342    H    TRP  52           H        TRP  52  15.929   3.340  10.972
  343    HA   TRP  52           HA       TRP  52  17.969   1.262  10.287
  344    HB2  TRP  52           HB2      TRP  52  15.400   0.066  10.498
  345    HB3  TRP  52           HB1      TRP  52  16.778  -0.154  11.571
  346    HD1  TRP  52           HD       TRP  52  13.540   1.823  11.198
  347    HE1  TRP  52           HE1      TRP  52  12.939   2.876  13.472
  348    HE3  TRP  52           HE3      TRP  52  17.773   0.715  13.829
  349    HZ2  TRP  52           HZ2      TRP  52  14.101   3.208  16.065
  350    HZ3  TRP  52           HZ3      TRP  52  18.001   1.414  16.196
  351    HH2  TRP  52           HH       TRP  52  16.173   2.657  17.316
  352    H    ASN  53           H        ASN  53  16.347  -0.447   8.814
  353    HA   ASN  53           HA       ASN  53  16.439   0.645   6.221
  354    HB2  ASN  53           HB2      ASN  53  14.481  -1.486   7.120
  355    HB3  ASN  53           HB1      ASN  53  15.166  -1.270   5.508
  356   HD21  ASN  53          1HD2      ASN  53  15.972  -3.568   5.783
  357   HD22  ASN  53          2HD2      ASN  53  17.407  -3.829   6.654
  358    H    ASP  54           H        ASP  54  14.745   1.425   4.819
  359    HA   ASP  54           HA       ASP  54  12.545   2.766   6.323
  360    HB2  ASP  54           HB2      ASP  54  13.678   3.359   3.571
  361    HB3  ASP  54           HB1      ASP  54  12.409   4.283   4.376
  362    H    ASP  55           H        ASP  55  10.390   2.491   5.643
  363    HA   ASP  55           HA       ASP  55   9.769   0.006   4.318
  364    HB2  ASP  55           HB2      ASP  55   7.778   2.244   4.603
  365    HB3  ASP  55           HB1      ASP  55   7.527   0.506   4.777
  366    H    ARG  56           H        ARG  56   8.921  -0.319   2.214
  367    HA   ARG  56           HA       ARG  56   8.959   2.041   0.394
  368    HB2  ARG  56           HB2      ARG  56  10.326  -0.614  -0.104
  369    HB3  ARG  56           HB1      ARG  56  10.137   0.666  -1.302
  370    HG2  ARG  56           HG2      ARG  56  11.216   2.070   0.771
  371    HG3  ARG  56           HG1      ARG  56  11.986   0.499   0.996
  372    HD2  ARG  56           HD2      ARG  56  12.752   0.514  -1.333
  373    HD3  ARG  56           HD1      ARG  56  11.941   2.056  -1.605
  374    HE   ARG  56           HE       ARG  56  13.585   2.707   0.449
  375   HH11  ARG  56          1HH1      ARG  56  13.941   2.137  -2.817
  376   HH12  ARG  56          2HH1      ARG  56  15.667   1.995  -2.796
  377   HH21  ARG  56          1HH2      ARG  56  15.885   1.983   0.666
  378   HH22  ARG  56          2HH2      ARG  56  16.770   1.909  -0.822
  379    H    CYS  57           H        CYS  57   7.404   1.957  -1.235
  380    HA   CYS  57           HA       CYS  57   5.079   0.432  -0.904
  381    HB2  CYS  57           HB2      CYS  57   5.097   2.323  -2.444
  382    HB3  CYS  57           HB1      CYS  57   6.280   1.509  -3.464
  383    H    THR  58           H        THR  58   4.447  -1.583  -1.588
  384    HA   THR  58           HA       THR  58   6.499  -3.536  -2.176
  385    HB   THR  58           HB       THR  58   4.644  -5.132  -2.213
  386    HG1  THR  58           HG1      THR  58   3.191  -2.754  -2.490
  387   HG21  THR  58          3HG2      THR  58   5.211  -4.726   0.000
  388   HG22  THR  58          1HG2      THR  58   3.505  -4.275   0.004
  389   HG23  THR  58          2HG2      THR  58   4.747  -3.025  -0.089
  390    H    GLY  59           H        GLY  59   3.950  -1.944  -4.067
  391    HA2  GLY  59           HA2      GLY  59   4.586  -1.519  -6.478
  392    HA3  GLY  59           HA1      GLY  59   5.136  -3.196  -6.514
  393    H    GLN  60           H        GLN  60   3.060  -4.438  -5.131
  394    HA   GLN  60           HA       GLN  60   0.753  -3.944  -6.965
  395    HB2  GLN  60           HB2      GLN  60   1.224  -6.579  -5.598
  396    HB3  GLN  60           HB1      GLN  60   0.389  -6.245  -7.116
  397    HG2  GLN  60           HG2      GLN  60   2.487  -5.746  -8.228
  398    HG3  GLN  60           HG1      GLN  60   3.370  -5.879  -6.707
  399   HE21  GLN  60          1HE2      GLN  60   1.933  -7.708  -9.332
  400   HE22  GLN  60          2HE2      GLN  60   2.415  -9.241  -8.784
  401    H    SER  61           H        SER  61   1.710  -3.421  -3.878
  402    HA   SER  61           HA       SER  61  -1.060  -3.864  -2.828
  403    HB2  SER  61           HB2      SER  61   0.813  -5.295  -1.805
  404    HB3  SER  61           HB1      SER  61   1.435  -3.795  -1.121
  405    HG   SER  61           HG       SER  61   0.064  -4.412   0.405
  406    H    ALA  62           H        ALA  62  -1.984  -2.112  -1.725
  407    HA   ALA  62           HA       ALA  62  -0.599   0.475  -2.091
  408    HB1  ALA  62           HB1      ALA  62  -2.731   1.490  -1.575
  409    HB2  ALA  62           HB2      ALA  62  -3.371  -0.044  -0.984
  410    HB3  ALA  62           HB3      ALA  62  -3.025   0.166  -2.700
  411    H    ASP  63           H        ASP  63  -1.553  -1.734   0.459
  412    HA   ASP  63           HA       ASP  63  -1.052   0.197   2.596
  413    HB2  ASP  63           HB2      ASP  63  -1.103  -1.956   4.018
  414    HB3  ASP  63           HB1      ASP  63  -2.584  -1.510   3.179
  415    H    CYS  64           H        CYS  64   1.012   0.878   2.854
  416    HA   CYS  64           HA       CYS  64   3.304  -0.534   1.964
  417    HB2  CYS  64           HB2      CYS  64   3.497   1.818   2.349
  418    HB3  CYS  64           HB1      CYS  64   2.970   1.660   4.021
  419    HA   PRO  65           HA       PRO  65   3.661  -3.605   5.041
  420    HB2  PRO  65           HB2      PRO  65   6.141  -4.452   4.256
  421    HB3  PRO  65           HB1      PRO  65   4.658  -4.892   3.411
  422    HG2  PRO  65           HG2      PRO  65   6.791  -2.969   2.627
  423    HG3  PRO  65           HG1      PRO  65   5.666  -3.878   1.605
  424    HD2  PRO  65           HD2      PRO  65   5.431  -1.157   2.290
  425    HD3  PRO  65           HD1      PRO  65   4.154  -2.167   1.584
  426    H    ARG  66           H        ARG  66   4.929  -4.020   6.967
  427    HA   ARG  66           HA       ARG  66   6.235  -1.649   8.057
  428    HB2  ARG  66           HB2      ARG  66   4.788  -3.394   9.317
  429    HB3  ARG  66           HB1      ARG  66   6.244  -4.389   9.325
  430    HG2  ARG  66           HG2      ARG  66   6.646  -3.260  11.276
  431    HG3  ARG  66           HG1      ARG  66   7.296  -2.047  10.171
  432    HD2  ARG  66           HD2      ARG  66   5.705  -1.066  11.817
  433    HD3  ARG  66           HD1      ARG  66   5.153  -0.869  10.153
  434    HE   ARG  66           HE       ARG  66   4.061  -3.292  11.210
  435   HH11  ARG  66          1HH1      ARG  66   3.682   0.096  10.902
  436   HH12  ARG  66          2HH1      ARG  66   2.125   0.137  11.660
  437   HH21  ARG  66          1HH2      ARG  66   2.124  -3.240  12.448
  438   HH22  ARG  66          2HH2      ARG  66   1.243  -1.751  12.535
  439    H    ASN  67           H        ASN  67   8.325  -1.197   7.542
  440    HA   ASN  67           HA       ASN  67  10.213  -3.503   7.259
  441    HB2  ASN  67           HB2      ASN  67   9.545  -1.530   5.347
  442    HB3  ASN  67           HB1      ASN  67  11.159  -1.119   5.931
  443   HD21  ASN  67          1HD2      ASN  67  10.217  -2.408   3.301
  444   HD22  ASN  67          2HD2      ASN  67  11.154  -3.818   3.173
  445    H    GLY  68           H        GLY  68   9.375  -1.269   9.393
  446    HA2  GLY  68           HA2      GLY  68  11.895   0.085   9.908
  447    HA3  GLY  68           HA1      GLY  68  10.509   0.034  10.999
  448    H    LEU  69           H        LEU  69  12.057  -0.373  12.753
  449    HA   LEU  69           HA       LEU  69  13.324  -3.066  12.685
  450    HB2  LEU  69           HB2      LEU  69  14.772  -1.176  13.332
  451    HB3  LEU  69           HB1      LEU  69  13.668  -0.776  14.648
  452    HG   LEU  69           HG       LEU  69  14.375  -3.577  14.761
  453   HD11  LEU  69          1HD1      LEU  69  16.612  -3.592  14.478
  454   HD12  LEU  69          2HD1      LEU  69  16.806  -2.160  15.488
  455   HD13  LEU  69          3HD1      LEU  69  16.462  -1.985  13.767
  456   HD21  LEU  69          3HD2      LEU  69  13.717  -1.521  16.480
  457   HD22  LEU  69          1HD2      LEU  69  15.435  -1.745  16.807
  458   HD23  LEU  69          2HD2      LEU  69  14.318  -3.100  16.983
  459    H    TYR  70           H        TYR  70  10.375  -2.135  13.285
  460    HA   TYR  70           HA       TYR  70  10.106  -3.878  15.694
  461    HB2  TYR  70           HB2      TYR  70   8.309  -1.502  15.215
  462    HB3  TYR  70           HB1      TYR  70   8.549  -2.413  16.706
  463    HD1  TYR  70           HD2      TYR  70  10.580  -2.113  18.059
  464    HD2  TYR  70           HD1      TYR  70   9.910   0.182  14.491
  465    HE1  TYR  70           HE2      TYR  70  12.380  -0.545  18.730
  466    HE2  TYR  70           HE1      TYR  70  11.711   1.750  15.161
  467    HH   TYR  70           HH       TYR  70  13.350   1.432  18.292
  468    H    GLY  71           H        GLY  71   7.311  -3.880  15.798
  469    HA2  GLY  71           HA2      GLY  71   6.163  -4.381  13.176
  470    HA3  GLY  71           HA1      GLY  71   6.545  -5.877  14.030
  Start of MODEL   16
    1    H    GLY   1           HT1      GLY   1 -21.841  -9.398   2.618
    2    HA2  GLY   1           HA1      GLY   1 -19.827 -10.546   4.369
    3    HA3  GLY   1           HA2      GLY   1 -19.516 -10.669   2.636
    4    H    LYS   2           H        LYS   2 -17.941  -9.034   4.322
    5    HA   LYS   2           HA       LYS   2 -18.824  -6.291   4.310
    6    HB2  LYS   2           HB2      LYS   2 -16.190  -7.683   4.686
    7    HB3  LYS   2           HB1      LYS   2 -16.218  -5.933   4.463
    8    HG2  LYS   2           HG2      LYS   2 -16.321  -6.613   6.872
    9    HG3  LYS   2           HG1      LYS   2 -17.719  -5.666   6.360
   10    HD2  LYS   2           HD2      LYS   2 -19.039  -7.708   6.075
   11    HD3  LYS   2           HD1      LYS   2 -17.638  -8.695   6.496
   12    HE2  LYS   2           HE2      LYS   2 -18.225  -6.618   8.486
   13    HE3  LYS   2           HE1      LYS   2 -19.535  -7.782   8.287
   14    HZ1  LYS   2           HZ1      LYS   2 -17.404  -8.196   9.833
   15    HZ2  LYS   2           HZ2      LYS   2 -16.867  -8.909   8.387
   16    HZ3  LYS   2           HZ3      LYS   2 -18.303  -9.445   9.119
   17    H    GLU   3           H        GLU   3 -17.545  -4.588   3.014
   18    HA   GLU   3           HA       GLU   3 -16.318  -5.263   0.515
   19    HB2  GLU   3           HB2      GLU   3 -19.247  -5.220   0.570
   20    HB3  GLU   3           HB1      GLU   3 -18.566  -4.104  -0.615
   21    HG2  GLU   3           HG2      GLU   3 -17.731  -5.784  -1.912
   22    HG3  GLU   3           HG1      GLU   3 -17.289  -6.772  -0.519
   23    H    CYS   4           H        CYS   4 -15.468  -3.500   2.316
   24    HA   CYS   4           HA       CYS   4 -16.141  -0.847   1.102
   25    HB2  CYS   4           HB2      CYS   4 -15.538  -1.535   3.992
   26    HB3  CYS   4           HB1      CYS   4 -15.558   0.115   3.375
   27    H    ASP   5           H        ASP   5 -14.414  -0.813  -0.312
   28    HA   ASP   5           HA       ASP   5 -11.732  -1.623   0.419
   29    HB2  ASP   5           HB2      ASP   5 -12.911  -1.370  -1.947
   30    HB3  ASP   5           HB1      ASP   5 -12.261   0.266  -1.850
   31    H    CYS   6           H        CYS   6 -13.515   1.393   0.576
   32    HA   CYS   6           HA       CYS   6 -11.002   2.817   1.315
   33    HB2  CYS   6           HB2      CYS   6 -12.519   4.874   1.157
   34    HB3  CYS   6           HB1      CYS   6 -12.177   4.037  -0.357
   35    H    SER   7           H        SER   7 -11.031   4.167   3.252
   36    HA   SER   7           HA       SER   7 -12.579   2.888   5.417
   37    HB2  SER   7           HB2      SER   7 -11.052   4.916   6.548
   38    HB3  SER   7           HB1      SER   7 -10.587   3.222   6.428
   39    HG   SER   7           HG       SER   7  -9.078   3.887   5.137
   40    H    SER   8           H        SER   8 -12.832   5.629   3.407
   41    HA   SER   8           HA       SER   8 -14.731   6.867   5.356
   42    HB2  SER   8           HB2      SER   8 -12.966   8.201   3.288
   43    HB3  SER   8           HB1      SER   8 -14.237   9.035   4.177
   44    HG   SER   8           HG       SER   8 -11.871   8.887   4.981
   45    HA   PRO   9           HA       PRO   9 -17.670   6.057   2.134
   46    HB2  PRO   9           HB2      PRO   9 -19.788   7.324   3.344
   47    HB3  PRO   9           HB1      PRO   9 -19.209   5.717   3.817
   48    HG2  PRO   9           HG2      PRO   9 -18.861   8.323   5.221
   49    HG3  PRO   9           HG1      PRO   9 -18.870   6.682   5.888
   50    HD2  PRO   9           HD2      PRO   9 -16.571   8.263   5.386
   51    HD3  PRO   9           HD1      PRO   9 -16.588   6.525   5.755
   52    H    GLU  10           H        GLU  10 -16.137   8.898   2.655
   53    HA   GLU  10           HA       GLU  10 -17.963  10.489   0.908
   54    HB2  GLU  10           HB2      GLU  10 -16.361  11.149   3.201
   55    HB3  GLU  10           HB1      GLU  10 -15.777  12.068   1.812
   56    HG2  GLU  10           HG2      GLU  10 -17.491  13.434   2.670
   57    HG3  GLU  10           HG1      GLU  10 -18.292  12.559   1.363
   58    H    ASN  11           H        ASN  11 -15.560   8.388   0.487
   59    HA   ASN  11           HA       ASN  11 -13.869   9.984  -1.316
   60    HB2  ASN  11           HB2      ASN  11 -13.328   7.829   0.234
   61    HB3  ASN  11           HB1      ASN  11 -13.668   7.023  -1.297
   62   HD21  ASN  11          1HD2      ASN  11 -11.114   8.175   0.418
   63   HD22  ASN  11          2HD2      ASN  11 -10.089   8.649  -0.850
   64    HA   PRO  12           HA       PRO  12 -16.560   8.998  -4.725
   65    HB2  PRO  12           HB2      PRO  12 -15.045  10.264  -6.641
   66    HB3  PRO  12           HB1      PRO  12 -16.125  11.117  -5.523
   67    HG2  PRO  12           HG2      PRO  12 -13.147  10.949  -5.495
   68    HG3  PRO  12           HG1      PRO  12 -14.205  12.219  -4.860
   69    HD2  PRO  12           HD2      PRO  12 -12.922  10.218  -3.328
   70    HD3  PRO  12           HD1      PRO  12 -14.238  11.274  -2.772
   71    H    CYS  13           H        CYS  13 -13.083   8.359  -4.689
   72    HA   CYS  13           HA       CYS  13 -12.870   6.779  -7.030
   73    HB2  CYS  13           HB2      CYS  13 -11.027   7.573  -5.373
   74    HB3  CYS  13           HB1      CYS  13 -11.403   6.095  -4.485
   75    H    CYS  14           H        CYS  14 -14.036   5.975  -3.793
   76    HA   CYS  14           HA       CYS  14 -14.633   3.218  -4.770
   77    HB2  CYS  14           HB2      CYS  14 -14.686   2.525  -2.459
   78    HB3  CYS  14           HB1      CYS  14 -13.216   3.472  -2.691
   79    H    ASP  15           H        ASP  15 -16.736   2.704  -5.105
   80    HA   ASP  15           HA       ASP  15 -18.862   4.529  -5.056
   81    HB2  ASP  15           HB2      ASP  15 -18.727   2.094  -6.000
   82    HB3  ASP  15           HB1      ASP  15 -19.303   1.624  -4.399
   83    H    ALA  16           H        ALA  16 -20.182   5.310  -3.433
   84    HA   ALA  16           HA       ALA  16 -19.418   4.841  -0.676
   85    HB1  ALA  16           HB1      ALA  16 -20.264   7.006  -1.112
   86    HB2  ALA  16           HB2      ALA  16 -21.579   6.203  -0.255
   87    HB3  ALA  16           HB3      ALA  16 -21.648   6.377  -2.009
   88    H    ALA  17           H        ALA  17 -22.133   3.806  -2.729
   89    HA   ALA  17           HA       ALA  17 -23.640   2.510  -0.678
   90    HB1  ALA  17           HB1      ALA  17 -23.710   2.708  -3.551
   91    HB2  ALA  17           HB2      ALA  17 -25.014   2.269  -2.447
   92    HB3  ALA  17           HB3      ALA  17 -23.936   1.024  -3.078
   93    H    THR  18           H        THR  18 -21.076   1.304  -2.839
   94    HA   THR  18           HA       THR  18 -21.004  -1.203  -1.221
   95    HB   THR  18           HB       THR  18 -20.181  -2.311  -3.081
   96    HG1  THR  18           HG1      THR  18 -19.074  -1.123  -4.758
   97   HG21  THR  18          3HG2      THR  18 -21.558   0.047  -4.394
   98   HG22  THR  18          1HG2      THR  18 -22.403  -1.296  -3.624
   99   HG23  THR  18          2HG2      THR  18 -21.405  -1.582  -5.049
  100    H    CYS  19           H        CYS  19 -19.707   1.677  -0.939
  101    HA   CYS  19           HA       CYS  19 -17.557   2.567  -0.447
  102    HB2  CYS  19           HB2      CYS  19 -16.567   1.111   1.508
  103    HB3  CYS  19           HB1      CYS  19 -18.039   2.031   1.748
  104    H    LYS  20           H        LYS  20 -17.393   0.729  -2.727
  105    HA   LYS  20           HA       LYS  20 -14.583  -0.178  -2.243
  106    HB2  LYS  20           HB2      LYS  20 -16.764  -1.666  -3.729
  107    HB3  LYS  20           HB1      LYS  20 -15.050  -2.064  -3.856
  108    HG2  LYS  20           HG2      LYS  20 -15.781  -1.815  -1.073
  109    HG3  LYS  20           HG1      LYS  20 -16.860  -2.955  -1.873
  110    HD2  LYS  20           HD2      LYS  20 -13.834  -3.039  -1.818
  111    HD3  LYS  20           HD1      LYS  20 -14.947  -4.199  -1.095
  112    HE2  LYS  20           HE2      LYS  20 -15.716  -4.032  -3.792
  113    HE3  LYS  20           HE1      LYS  20 -13.953  -4.080  -3.817
  114    HZ1  LYS  20           HZ1      LYS  20 -14.222  -5.978  -2.151
  115    HZ2  LYS  20           HZ2      LYS  20 -14.571  -6.299  -3.783
  116    HZ3  LYS  20           HZ3      LYS  20 -15.834  -6.046  -2.675
  117    H    LEU  21           H        LEU  21 -13.464  -0.556  -4.462
  118    HA   LEU  21           HA       LEU  21 -13.468   1.900  -5.898
  119    HB2  LEU  21           HB2      LEU  21 -12.357  -0.841  -6.488
  120    HB3  LEU  21           HB1      LEU  21 -12.195   0.476  -7.650
  121    HG   LEU  21           HG       LEU  21 -11.497   1.462  -5.050
  122   HD11  LEU  21          1HD1      LEU  21 -11.063  -1.158  -4.913
  123   HD12  LEU  21          2HD1      LEU  21  -9.900  -0.010  -4.250
  124   HD13  LEU  21          3HD1      LEU  21  -9.622  -0.732  -5.835
  125   HD21  LEU  21          3HD2      LEU  21 -10.589   1.489  -7.765
  126   HD22  LEU  21          1HD2      LEU  21  -9.218   1.091  -6.729
  127   HD23  LEU  21          2HD2      LEU  21 -10.132   2.575  -6.453
  128    H    ARG  22           H        ARG  22 -15.243   2.585  -7.008
  129    HA   ARG  22           HA       ARG  22 -17.025   0.687  -8.341
  130    HB2  ARG  22           HB2      ARG  22 -17.446   3.141  -7.268
  131    HB3  ARG  22           HB1      ARG  22 -17.259   3.574  -8.967
  132    HG2  ARG  22           HG2      ARG  22 -18.876   1.249  -8.905
  133    HG3  ARG  22           HG1      ARG  22 -19.512   2.340  -7.674
  134    HD2  ARG  22           HD2      ARG  22 -19.101   4.124  -9.648
  135    HD3  ARG  22           HD1      ARG  22 -19.387   2.685 -10.626
  136    HE   ARG  22           HE       ARG  22 -21.419   2.803  -8.646
  137   HH11  ARG  22          1HH1      ARG  22 -20.370   5.398 -10.475
  138   HH12  ARG  22          2HH1      ARG  22 -21.863   5.642 -11.318
  139   HH21  ARG  22          1HH2      ARG  22 -23.317   2.727 -10.130
  140   HH22  ARG  22          2HH2      ARG  22 -23.532   4.130 -11.122
  141    HA   PRO  23           HA       PRO  23 -15.118   2.721 -12.217
  142    HB2  PRO  23           HB2      PRO  23 -12.963   4.384 -11.859
  143    HB3  PRO  23           HB1      PRO  23 -14.642   4.948 -11.852
  144    HG2  PRO  23           HG2      PRO  23 -12.773   4.608  -9.560
  145    HG3  PRO  23           HG1      PRO  23 -14.177   5.677  -9.713
  146    HD2  PRO  23           HD2      PRO  23 -14.083   3.210  -8.308
  147    HD3  PRO  23           HD1      PRO  23 -15.540   4.151  -8.686
  148    H    GLY  24           H        GLY  24 -12.707   2.689 -13.310
  149    HA2  GLY  24           HA2      GLY  24 -11.571   0.112 -12.496
  150    HA3  GLY  24           HA1      GLY  24 -11.073   1.070 -13.892
  151    H    ALA  25           H        ALA  25 -11.135   1.540 -10.337
  152    HA   ALA  25           HA       ALA  25  -8.409   2.735 -10.562
  153    HB1  ALA  25           HB1      ALA  25  -9.225   3.247  -7.999
  154    HB2  ALA  25           HB2      ALA  25 -10.767   3.242  -8.853
  155    HB3  ALA  25           HB3      ALA  25  -9.484   4.344  -9.354
  156    H    GLN  26           H        GLN  26  -6.727   1.935  -9.204
  157    HA   GLN  26           HA       GLN  26  -7.061  -0.861  -8.401
  158    HB2  GLN  26           HB2      GLN  26  -4.828   1.012  -8.832
  159    HB3  GLN  26           HB1      GLN  26  -4.579  -0.101  -7.487
  160    HG2  GLN  26           HG2      GLN  26  -4.578  -1.966  -8.846
  161    HG3  GLN  26           HG1      GLN  26  -5.659  -1.233 -10.031
  162   HE21  GLN  26          1HE2      GLN  26  -3.119  -2.542 -10.688
  163   HE22  GLN  26          2HE2      GLN  26  -2.108  -1.356 -11.362
  164    H    CYS  27           H        CYS  27  -7.168   2.250  -6.863
  165    HA   CYS  27           HA       CYS  27  -8.041   1.063  -4.378
  166    HB2  CYS  27           HB2      CYS  27  -6.094   0.879  -3.256
  167    HB3  CYS  27           HB1      CYS  27  -5.225   1.348  -4.706
  168    H    GLY  28           H        GLY  28  -8.768   2.705  -2.862
  169    HA2  GLY  28           HA2      GLY  28  -9.371   5.268  -4.221
  170    HA3  GLY  28           HA1      GLY  28 -10.178   4.660  -2.779
  171    H    GLU  29           H        GLU  29  -7.740   3.931  -1.428
  172    HA   GLU  29           HA       GLU  29  -6.257   6.466  -1.156
  173    HB2  GLU  29           HB2      GLU  29  -6.736   6.686   1.188
  174    HB3  GLU  29           HB1      GLU  29  -8.274   6.574   0.349
  175    HG2  GLU  29           HG2      GLU  29  -8.655   4.373   1.064
  176    HG3  GLU  29           HG1      GLU  29  -6.952   4.091   1.423
  177    H    GLY  30           H        GLY  30  -4.286   6.149   0.190
  178    HA2  GLY  30           HA2      GLY  30  -3.390   3.868   1.441
  179    HA3  GLY  30           HA1      GLY  30  -3.158   3.494  -0.262
  180    H    LEU  31           H        LEU  31  -0.987   3.716   1.539
  181    HA   LEU  31           HA       LEU  31   0.237   6.296   1.573
  182    HB2  LEU  31           HB2      LEU  31   0.914   3.729   2.468
  183    HB3  LEU  31           HB1      LEU  31   2.170   4.136   1.301
  184    HG   LEU  31           HG       LEU  31   2.841   4.932   3.503
  185   HD11  LEU  31          1HD1      LEU  31   3.647   6.408   1.875
  186   HD12  LEU  31          2HD1      LEU  31   2.763   7.497   2.945
  187   HD13  LEU  31          3HD1      LEU  31   2.031   6.960   1.433
  188   HD21  LEU  31          3HD2      LEU  31   0.204   6.436   3.439
  189   HD22  LEU  31          1HD2      LEU  31   1.454   6.644   4.666
  190   HD23  LEU  31          2HD2      LEU  31   0.613   5.101   4.517
  191    H    CYS  32           H        CYS  32   0.027   3.827  -0.901
  192    HA   CYS  32           HA       CYS  32   1.539   5.651  -2.717
  193    HB2  CYS  32           HB2      CYS  32   1.679   2.629  -2.602
  194    HB3  CYS  32           HB1      CYS  32   2.435   3.624  -3.849
  195    H    CYS  33           H        CYS  33  -0.703   6.380  -3.197
  196    HA   CYS  33           HA       CYS  33  -1.865   4.663  -5.324
  197    HB2  CYS  33           HB2      CYS  33  -3.193   5.573  -2.820
  198    HB3  CYS  33           HB1      CYS  33  -4.148   5.650  -4.298
  199    H    GLU  34           H        GLU  34  -0.953   6.155  -6.817
  200    HA   GLU  34           HA       GLU  34  -1.751   8.991  -6.637
  201    HB2  GLU  34           HB2      GLU  34  -0.176   7.602  -8.827
  202    HB3  GLU  34           HB1      GLU  34  -0.258   9.334  -8.510
  203    HG2  GLU  34           HG2      GLU  34   0.736   7.419  -6.404
  204    HG3  GLU  34           HG1      GLU  34   1.821   8.048  -7.646
  205    H    GLN  35           H        GLN  35  -3.680   9.573  -7.493
  206    HA   GLN  35           HA       GLN  35  -5.551   9.573  -8.898
  207    HB2  GLN  35           HB2      GLN  35  -3.381   9.328 -10.570
  208    HB3  GLN  35           HB1      GLN  35  -4.329   7.904 -10.997
  209    HG2  GLN  35           HG2      GLN  35  -6.339   9.393 -11.238
  210    HG3  GLN  35           HG1      GLN  35  -5.278  10.782 -10.996
  211   HE21  GLN  35          1HE2      GLN  35  -3.124  10.464 -12.520
  212   HE22  GLN  35          2HE2      GLN  35  -3.497  10.120 -14.140
  213    H    CYS  36           H        CYS  36  -5.231   7.513  -6.938
  214    HA   CYS  36           HA       CYS  36  -6.250   5.497  -6.320
  215    HB2  CYS  36           HB2      CYS  36  -7.720   6.120  -8.887
  216    HB3  CYS  36           HB1      CYS  36  -8.070   4.681  -7.931
  217    H    LYS  37           H        LYS  37  -3.931   5.757  -8.437
  218    HA   LYS  37           HA       LYS  37  -4.127   3.004  -9.557
  219    HB2  LYS  37           HB2      LYS  37  -3.156   5.438 -10.604
  220    HB3  LYS  37           HB1      LYS  37  -1.732   4.439 -10.313
  221    HG2  LYS  37           HG2      LYS  37  -2.401   2.803 -11.807
  222    HG3  LYS  37           HG1      LYS  37  -4.114   3.169 -11.603
  223    HD2  LYS  37           HD2      LYS  37  -3.580   5.429 -12.723
  224    HD3  LYS  37           HD1      LYS  37  -2.061   4.680 -13.218
  225    HE2  LYS  37           HE2      LYS  37  -3.079   3.288 -14.719
  226    HE3  LYS  37           HE1      LYS  37  -4.509   3.077 -13.706
  227    HZ1  LYS  37           HZ1      LYS  37  -5.517   4.874 -14.588
  228    HZ2  LYS  37           HZ2      LYS  37  -4.514   4.527 -15.915
  229    HZ3  LYS  37           HZ3      LYS  37  -4.073   5.736 -14.805
  230    H    PHE  38           H        PHE  38  -2.320   1.544  -9.257
  231    HA   PHE  38           HA       PHE  38  -1.155   1.726  -6.585
  232    HB2  PHE  38           HB2      PHE  38  -1.113  -0.280  -8.817
  233    HB3  PHE  38           HB1      PHE  38   0.091  -0.400  -7.537
  234    HD1  PHE  38           HD1      PHE  38  -1.361   0.470  -5.156
  235    HD2  PHE  38           HD2      PHE  38  -2.682  -1.975  -8.430
  236    HE1  PHE  38           HE1      PHE  38  -3.032  -0.610  -3.675
  237    HE2  PHE  38           HE2      PHE  38  -4.354  -3.054  -6.951
  238    HZ   PHE  38           HZ       PHE  38  -4.530  -2.371  -4.573
  239    H    SER  39           H        SER  39   0.770   2.727  -6.150
  240    HA   SER  39           HA       SER  39   2.367   3.917  -8.209
  241    HB2  SER  39           HB2      SER  39   3.405   3.228  -5.450
  242    HB3  SER  39           HB1      SER  39   3.846   4.589  -6.478
  243    HG   SER  39           HG       SER  39   2.390   5.551  -5.274
  244    H    ARG  40           H        ARG  40   4.875   2.658  -6.625
  245    HA   ARG  40           HA       ARG  40   4.881   0.064  -8.075
  246    HB2  ARG  40           HB2      ARG  40   6.615   2.423  -8.617
  247    HB3  ARG  40           HB1      ARG  40   7.404   0.845  -8.610
  248    HG2  ARG  40           HG2      ARG  40   5.586   0.036 -10.175
  249    HG3  ARG  40           HG1      ARG  40   5.048   1.711 -10.305
  250    HD2  ARG  40           HD2      ARG  40   7.187   2.393 -11.210
  251    HD3  ARG  40           HD1      ARG  40   7.872   0.794 -10.918
  252    HE   ARG  40           HE       ARG  40   6.085  -0.005 -12.610
  253   HH11  ARG  40          1HH1      ARG  40   4.897   2.662 -13.159
  254   HH12  ARG  40          2HH1      ARG  40   5.764   3.181 -14.565
  255   HH21  ARG  40          1HH2      ARG  40   8.320   0.871 -14.167
  256   HH22  ARG  40          2HH2      ARG  40   7.702   2.167 -15.136
  257    H    ALA  41           H        ALA  41   6.682  -1.341  -7.342
  258    HA   ALA  41           HA       ALA  41   6.980  -1.273  -4.475
  259    HB1  ALA  41           HB1      ALA  41   7.149  -3.248  -6.348
  260    HB2  ALA  41           HB2      ALA  41   7.780  -3.401  -4.708
  261    HB3  ALA  41           HB3      ALA  41   8.858  -2.954  -6.030
  262    H    GLY  42           H        GLY  42   9.224  -1.320  -3.428
  263    HA2  GLY  42           HA2      GLY  42  11.330  -0.287  -3.106
  264    HA3  GLY  42           HA1      GLY  42  11.422  -0.083  -4.857
  265    H    LYS  43           H        LYS  43   8.616   0.982  -3.094
  266    HA   LYS  43           HA       LYS  43   9.437   3.803  -3.689
  267    HB2  LYS  43           HB2      LYS  43   7.490   3.367  -4.928
  268    HB3  LYS  43           HB1      LYS  43   6.780   2.388  -3.651
  269    HG2  LYS  43           HG2      LYS  43   5.663   4.198  -2.936
  270    HG3  LYS  43           HG1      LYS  43   7.185   4.977  -2.559
  271    HD2  LYS  43           HD2      LYS  43   6.933   5.162  -5.352
  272    HD3  LYS  43           HD1      LYS  43   5.338   5.551  -4.706
  273    HE2  LYS  43           HE2      LYS  43   6.744   7.575  -4.872
  274    HE3  LYS  43           HE1      LYS  43   6.350   7.213  -3.192
  275    HZ1  LYS  43           HZ1      LYS  43   8.497   7.071  -2.745
  276    HZ2  LYS  43           HZ2      LYS  43   8.875   7.447  -4.357
  277    HZ3  LYS  43           HZ3      LYS  43   8.683   5.827  -3.884
  278    H    ILE  44           H        ILE  44   9.828   5.085  -1.975
  279    HA   ILE  44           HA       ILE  44   9.693   4.159   0.714
  280    HB   ILE  44           HB       ILE  44  10.262   6.738  -0.653
  281   HG12  ILE  44          2HG1      ILE  44  12.006   5.109  -0.028
  282   HG13  ILE  44          1HG1      ILE  44  12.220   6.627   0.849
  283   HG21  ILE  44          1HG2      ILE  44  10.368   7.866   1.649
  284   HG22  ILE  44          2HG2      ILE  44   9.311   6.573   2.217
  285   HG23  ILE  44          3HG2      ILE  44   8.760   7.671   0.952
  286   HD11  ILE  44          3HD1      ILE  44  11.941   4.045   1.959
  287   HD12  ILE  44          1HD1      ILE  44  10.434   4.892   2.310
  288   HD13  ILE  44          2HD1      ILE  44  11.974   5.583   2.823
  289    H    CYS  45           H        CYS  45   8.002   3.951   2.014
  290    HA   CYS  45           HA       CYS  45   5.523   5.505   1.393
  291    HB2  CYS  45           HB2      CYS  45   4.494   3.556   2.844
  292    HB3  CYS  45           HB1      CYS  45   4.813   3.315   1.129
  293    H    ARG  46           H        ARG  46   7.997   4.837   3.662
  294    HA   ARG  46           HA       ARG  46   6.889   6.815   5.482
  295    HB2  ARG  46           HB2      ARG  46   6.362   4.034   5.951
  296    HB3  ARG  46           HB1      ARG  46   7.440   4.633   7.212
  297    HG2  ARG  46           HG2      ARG  46   5.774   6.679   7.244
  298    HG3  ARG  46           HG1      ARG  46   4.659   5.517   6.524
  299    HD2  ARG  46           HD2      ARG  46   5.700   4.014   8.538
  300    HD3  ARG  46           HD1      ARG  46   5.767   5.618   9.268
  301    HE   ARG  46           HE       ARG  46   3.242   4.431   8.180
  302   HH11  ARG  46          1HH2      ARG  46   3.570   4.103  11.076
  303   HH12  ARG  46          2HH2      ARG  46   2.846   5.537  11.724
  304   HH21  ARG  46          1HH1      ARG  46   2.930   7.259   8.716
  305   HH22  ARG  46          2HH1      ARG  46   2.483   7.325  10.388
  306    H    ILE  47           H        ILE  47   8.403   6.955   7.499
  307    HA   ILE  47           HA       ILE  47  11.200   6.658   6.501
  308    HB   ILE  47           HB       ILE  47  10.328   8.964   7.066
  309   HG12  ILE  47          2HG1      ILE  47  12.409   8.701   9.079
  310   HG13  ILE  47          1HG1      ILE  47  12.798   7.760   7.638
  311   HG21  ILE  47          1HG2      ILE  47   8.911   8.512   8.939
  312   HG22  ILE  47          2HG2      ILE  47  10.274   9.435   9.573
  313   HG23  ILE  47          3HG2      ILE  47  10.206   7.688   9.807
  314   HD11  ILE  47          3HD1      ILE  47  11.995   9.955   6.389
  315   HD12  ILE  47          1HD1      ILE  47  13.638   9.832   7.018
  316   HD13  ILE  47          2HD1      ILE  47  12.409  10.716   7.924
  317    H    ALA  48           H        ALA  48  12.740   5.617   7.828
  318    HA   ALA  48           HA       ALA  48  11.817   3.556   9.544
  319    HB1  ALA  48           HB1      ALA  48  14.380   4.583   8.669
  320    HB2  ALA  48           HB2      ALA  48  13.952   2.951   9.184
  321    HB3  ALA  48           HB3      ALA  48  14.436   4.154  10.379
  322    H    ARG  49           H        ARG  49  13.161   3.593  11.892
  323    HA   ARG  49           HA       ARG  49  12.883   6.076  13.360
  324    HB2  ARG  49           HB2      ARG  49  10.595   4.230  13.188
  325    HB3  ARG  49           HB1      ARG  49  11.067   4.624  14.841
  326    HG2  ARG  49           HG2      ARG  49  10.991   6.912  12.963
  327    HG3  ARG  49           HG1      ARG  49   9.428   6.188  13.344
  328    HD2  ARG  49           HD2      ARG  49  11.329   6.730  15.592
  329    HD3  ARG  49           HD1      ARG  49  10.447   8.087  14.891
  330    HE   ARG  49           HE       ARG  49   8.434   7.192  15.787
  331   HH11  ARG  49          1HH1      ARG  49  10.329   6.268  17.989
  332   HH12  ARG  49          2HH1      ARG  49   9.849   4.614  18.173
  333   HH21  ARG  49          1HH2      ARG  49   8.129   4.504  15.162
  334   HH22  ARG  49          2HH2      ARG  49   8.602   3.615  16.571
  335    H    GLY  50           H        GLY  50  15.114   5.064  13.626
  336    HA2  GLY  50           HA2      GLY  50  15.866   4.296  16.059
  337    HA3  GLY  50           HA1      GLY  50  15.161   2.780  15.515
  338    H    ASP  51           H        ASP  51  16.192   1.652  13.796
  339    HA   ASP  51           HA       ASP  51  18.704   2.713  12.681
  340    HB2  ASP  51           HB2      ASP  51  18.649   0.972  14.987
  341    HB3  ASP  51           HB1      ASP  51  19.429   0.164  13.628
  342    H    TRP  52           H        TRP  52  16.257   1.933  11.429
  343    HA   TRP  52           HA       TRP  52  17.238  -0.435   9.898
  344    HB2  TRP  52           HB2      TRP  52  14.532  -0.675   9.633
  345    HB3  TRP  52           HB1      TRP  52  15.486  -1.558  10.823
  346    HD1  TRP  52           HD       TRP  52  13.258   1.532  10.480
  347    HE1  TRP  52           HE1      TRP  52  12.385   2.186  12.815
  348    HE3  TRP  52           HE3      TRP  52  15.940  -1.708  13.346
  349    HZ2  TRP  52           HZ2      TRP  52  12.785   1.434  15.547
  350    HZ3  TRP  52           HZ3      TRP  52  15.686  -1.720  15.813
  351    HH2  TRP  52           HH       TRP  52  14.112  -0.153  16.915
  352    H    ASN  53           H        ASN  53  16.266  -0.526   7.676
  353    HA   ASN  53           HA       ASN  53  16.515   1.994   6.343
  354    HB2  ASN  53           HB2      ASN  53  15.735  -0.776   5.579
  355    HB3  ASN  53           HB1      ASN  53  15.224   0.518   4.496
  356   HD21  ASN  53          1HD2      ASN  53  17.928  -1.405   5.484
  357   HD22  ASN  53          2HD2      ASN  53  19.108  -0.598   4.570
  358    H    ASP  54           H        ASP  54  14.754   3.021   5.026
  359    HA   ASP  54           HA       ASP  54  12.444   3.566   6.675
  360    HB2  ASP  54           HB2      ASP  54  13.011   4.261   3.776
  361    HB3  ASP  54           HB1      ASP  54  11.691   4.929   4.736
  362    H    ASP  55           H        ASP  55  10.200   3.544   5.269
  363    HA   ASP  55           HA       ASP  55   9.658   0.686   4.884
  364    HB2  ASP  55           HB2      ASP  55   7.796   3.052   4.506
  365    HB3  ASP  55           HB1      ASP  55   7.330   1.360   4.681
  366    H    ARG  56           H        ARG  56   8.502  -0.063   2.877
  367    HA   ARG  56           HA       ARG  56   9.118   1.543   0.452
  368    HB2  ARG  56           HB2      ARG  56  10.965  -0.193   1.141
  369    HB3  ARG  56           HB1      ARG  56   9.822  -1.375   0.504
  370    HG2  ARG  56           HG2      ARG  56  10.599  -0.904  -1.546
  371    HG3  ARG  56           HG1      ARG  56   9.870   0.694  -1.390
  372    HD2  ARG  56           HD2      ARG  56  12.328   0.757  -1.931
  373    HD3  ARG  56           HD1      ARG  56  11.904   1.602  -0.443
  374    HE   ARG  56           HE       ARG  56  12.719  -1.202  -0.091
  375   HH11  ARG  56          1HH2      ARG  56  14.462   1.379  -1.168
  376   HH12  ARG  56          2HH2      ARG  56  15.498   1.521   0.214
  377   HH21  ARG  56          1HH1      ARG  56  13.670  -0.706   2.142
  378   HH22  ARG  56          2HH1      ARG  56  15.048   0.340   2.088
  379    H    CYS  57           H        CYS  57   7.254   1.593  -0.711
  380    HA   CYS  57           HA       CYS  57   5.032  -0.127  -0.178
  381    HB2  CYS  57           HB2      CYS  57   5.705   1.907  -2.242
  382    HB3  CYS  57           HB1      CYS  57   4.452   0.744  -2.657
  383    H    THR  58           H        THR  58   4.202  -1.847  -1.462
  384    HA   THR  58           HA       THR  58   6.270  -3.560  -2.601
  385    HB   THR  58           HB       THR  58   4.748  -5.263  -2.402
  386    HG1  THR  58           HG1      THR  58   2.425  -3.809  -2.687
  387   HG21  THR  58          3HG2      THR  58   2.853  -3.657  -0.838
  388   HG22  THR  58          1HG2      THR  58   4.536  -3.395  -0.385
  389   HG23  THR  58          2HG2      THR  58   3.854  -5.019  -0.337
  390    H    GLY  59           H        GLY  59   4.015  -1.251  -3.820
  391    HA2  GLY  59           HA2      GLY  59   4.080  -0.412  -6.075
  392    HA3  GLY  59           HA1      GLY  59   4.896  -1.896  -6.574
  393    H    GLN  60           H        GLN  60   3.068  -3.709  -5.291
  394    HA   GLN  60           HA       GLN  60   0.791  -3.458  -7.187
  395    HB2  GLN  60           HB2      GLN  60   1.776  -5.821  -5.557
  396    HB3  GLN  60           HB1      GLN  60   0.433  -5.866  -6.699
  397    HG2  GLN  60           HG2      GLN  60   2.687  -4.678  -8.006
  398    HG3  GLN  60           HG1      GLN  60   3.211  -6.183  -7.250
  399   HE21  GLN  60          1HE2      GLN  60   1.722  -8.141  -7.709
  400   HE22  GLN  60          2HE2      GLN  60   1.008  -8.228  -9.247
  401    H    SER  61           H        SER  61   1.492  -2.765  -3.995
  402    HA   SER  61           HA       SER  61  -1.394  -3.058  -3.269
  403    HB2  SER  61           HB2      SER  61   0.061  -4.722  -2.072
  404    HB3  SER  61           HB1      SER  61   0.940  -3.373  -1.358
  405    HG   SER  61           HG       SER  61  -0.874  -2.767  -0.276
  406    H    ALA  62           H        ALA  62  -2.272  -1.317  -2.111
  407    HA   ALA  62           HA       ALA  62  -0.771   1.207  -2.316
  408    HB1  ALA  62           HB1      ALA  62  -3.552   0.669  -1.219
  409    HB2  ALA  62           HB2      ALA  62  -3.195   1.074  -2.897
  410    HB3  ALA  62           HB3      ALA  62  -2.877   2.248  -1.621
  411    H    ASP  63           H        ASP  63  -1.865  -1.032   0.173
  412    HA   ASP  63           HA       ASP  63  -1.134   0.752   2.371
  413    HB2  ASP  63           HB2      ASP  63  -1.784  -2.208   2.317
  414    HB3  ASP  63           HB1      ASP  63  -1.563  -1.255   3.783
  415    H    CYS  64           H        CYS  64   1.031   1.218   2.459
  416    HA   CYS  64           HA       CYS  64   3.162  -0.418   1.589
  417    HB2  CYS  64           HB2      CYS  64   3.608   1.880   2.039
  418    HB3  CYS  64           HB1      CYS  64   3.022   1.751   3.694
  419    HA   PRO  65           HA       PRO  65   3.256  -3.581   4.599
  420    HB2  PRO  65           HB2      PRO  65   5.680  -4.587   3.834
  421    HB3  PRO  65           HB1      PRO  65   4.192  -4.887   2.939
  422    HG2  PRO  65           HG2      PRO  65   6.480  -3.105   2.272
  423    HG3  PRO  65           HG1      PRO  65   5.319  -3.897   1.195
  424    HD2  PRO  65           HD2      PRO  65   5.267  -1.189   1.968
  425    HD3  PRO  65           HD1      PRO  65   3.940  -2.075   1.192
  426    H    ARG  66           H        ARG  66   5.688  -4.522   5.706
  427    HA   ARG  66           HA       ARG  66   6.863  -2.125   7.040
  428    HB2  ARG  66           HB2      ARG  66   4.997  -3.314   8.392
  429    HB3  ARG  66           HB1      ARG  66   6.166  -4.619   8.589
  430    HG2  ARG  66           HG2      ARG  66   6.387  -3.154  10.497
  431    HG3  ARG  66           HG1      ARG  66   7.802  -2.912   9.471
  432    HD2  ARG  66           HD2      ARG  66   6.440  -0.832  10.391
  433    HD3  ARG  66           HD1      ARG  66   7.099  -0.818   8.755
  434    HE   ARG  66           HE       ARG  66   4.805  -1.500   7.974
  435   HH11  ARG  66          1HH1      ARG  66   3.988  -1.982  10.952
  436   HH12  ARG  66          2HH1      ARG  66   2.923  -0.636  11.185
  437   HH21  ARG  66          1HH2      ARG  66   3.975   1.031   8.332
  438   HH22  ARG  66          2HH2      ARG  66   2.916   1.071   9.702
  439    H    ASN  67           H        ASN  67   8.852  -2.410   5.958
  440    HA   ASN  67           HA       ASN  67  10.228  -5.020   6.458
  441    HB2  ASN  67           HB2      ASN  67  10.377  -3.043   4.195
  442    HB3  ASN  67           HB1      ASN  67  11.738  -4.115   4.524
  443   HD21  ASN  67          1HD2      ASN  67  10.530  -4.539   2.104
  444   HD22  ASN  67          2HD2      ASN  67   9.560  -5.931   2.138
  445    H    GLY  68           H        GLY  68  10.078  -1.998   7.699
  446    HA2  GLY  68           HA2      GLY  68  12.949  -2.099   8.488
  447    HA3  GLY  68           HA1      GLY  68  12.245  -0.572   7.973
  448    H    LEU  69           H        LEU  69   9.675  -1.087   9.253
  449    HA   LEU  69           HA       LEU  69  10.507  -0.511  12.049
  450    HB2  LEU  69           HB2      LEU  69   8.267   0.320  10.304
  451    HB3  LEU  69           HB1      LEU  69   7.828   0.005  11.983
  452    HG   LEU  69           HG       LEU  69   8.502   2.372  11.619
  453   HD11  LEU  69          1HD1      LEU  69  10.762   1.362  13.229
  454   HD12  LEU  69          2HD1      LEU  69   9.190   0.708  13.682
  455   HD13  LEU  69          3HD1      LEU  69   9.453   2.451  13.686
  456   HD21  LEU  69          3HD2      LEU  69  10.107   2.298   9.890
  457   HD22  LEU  69          1HD2      LEU  69  11.018   1.005  10.671
  458   HD23  LEU  69          2HD2      LEU  69  11.076   2.642  11.324
  459    H    TYR  70           H        TYR  70   8.196  -1.156  13.415
  460    HA   TYR  70           HA       TYR  70   8.295  -4.119  13.301
  461    HB2  TYR  70           HB2      TYR  70   6.651  -2.888  15.410
  462    HB3  TYR  70           HB1      TYR  70   7.931  -4.090  15.545
  463    HD1  TYR  70           HD1      TYR  70  10.311  -2.884  14.557
  464    HD2  TYR  70           HD2      TYR  70   7.106  -1.034  16.738
  465    HE1  TYR  70           HE1      TYR  70  11.868  -1.126  15.356
  466    HE2  TYR  70           HE2      TYR  70   8.663   0.723  17.536
  467    HH   TYR  70           HH       TYR  70  11.750   0.521  17.663
  468    H    GLY  71           H        GLY  71   6.609  -5.278  12.488
  469    HA2  GLY  71           HA2      GLY  71   4.369  -3.958  11.254
  470    HA3  GLY  71           HA1      GLY  71   4.535  -5.701  11.467
  Start of MODEL   17
    1    H    GLY   1           HT1      GLY   1 -16.066 -11.094  -3.554
    2    HA2  GLY   1           HA1      GLY   1 -14.034 -12.893  -2.405
    3    HA3  GLY   1           HA2      GLY   1 -13.641 -11.859  -3.778
    4    H    LYS   2           H        LYS   2 -14.030  -9.507  -3.492
    5    HA   LYS   2           HA       LYS   2 -13.685  -8.722  -0.627
    6    HB2  LYS   2           HB2      LYS   2 -12.896  -7.039  -3.006
    7    HB3  LYS   2           HB1      LYS   2 -12.329  -6.916  -1.341
    8    HG2  LYS   2           HG2      LYS   2 -11.724  -9.545  -2.116
    9    HG3  LYS   2           HG1      LYS   2 -11.296  -8.547  -3.507
   10    HD2  LYS   2           HD2      LYS   2  -9.370  -8.121  -2.393
   11    HD3  LYS   2           HD1      LYS   2 -10.348  -7.052  -1.388
   12    HE2  LYS   2           HE2      LYS   2 -10.560  -9.855  -0.576
   13    HE3  LYS   2           HE1      LYS   2  -8.907  -9.247  -0.484
   14    HZ1  LYS   2           HZ1      LYS   2 -10.631  -8.896   1.460
   15    HZ2  LYS   2           HZ2      LYS   2 -11.037  -7.529   0.538
   16    HZ3  LYS   2           HZ3      LYS   2  -9.447  -7.737   1.098
   17    H    GLU   3           H        GLU   3 -14.898  -6.948   0.154
   18    HA   GLU   3           HA       GLU   3 -17.117  -6.067  -1.651
   19    HB2  GLU   3           HB2      GLU   3 -17.335  -6.085   1.355
   20    HB3  GLU   3           HB1      GLU   3 -18.625  -6.135   0.152
   21    HG2  GLU   3           HG2      GLU   3 -18.134  -8.403  -0.422
   22    HG3  GLU   3           HG1      GLU   3 -16.609  -8.369   0.462
   23    H    CYS   4           H        CYS   4 -14.432  -5.119   0.211
   24    HA   CYS   4           HA       CYS   4 -15.198  -2.275  -0.202
   25    HB2  CYS   4           HB2      CYS   4 -15.671  -2.817   2.170
   26    HB3  CYS   4           HB1      CYS   4 -14.006  -3.368   2.365
   27    H    ASP   5           H        ASP   5 -13.489  -1.021  -0.881
   28    HA   ASP   5           HA       ASP   5 -10.823  -2.366  -1.019
   29    HB2  ASP   5           HB2      ASP   5 -12.275  -1.796  -3.183
   30    HB3  ASP   5           HB1      ASP   5 -11.565  -0.199  -2.943
   31    H    CYS   6           H        CYS   6 -12.615   0.348   0.066
   32    HA   CYS   6           HA       CYS   6 -10.055   1.671   0.854
   33    HB2  CYS   6           HB2      CYS   6 -10.926   3.829   0.380
   34    HB3  CYS   6           HB1      CYS   6 -11.366   2.858  -1.021
   35    H    SER   7           H        SER   7  -9.966   2.262   3.008
   36    HA   SER   7           HA       SER   7 -12.268   1.432   4.675
   37    HB2  SER   7           HB2      SER   7  -9.738   2.506   5.852
   38    HB3  SER   7           HB1      SER   7 -10.773   1.204   6.427
   39    HG   SER   7           HG       SER   7  -9.106   0.136   5.572
   40    H    SER   8           H        SER   8 -11.801   4.094   3.028
   41    HA   SER   8           HA       SER   8 -12.584   5.888   5.289
   42    HB2  SER   8           HB2      SER   8 -11.488   7.031   2.760
   43    HB3  SER   8           HB1      SER   8 -11.339   7.620   4.414
   44    HG   SER   8           HG       SER   8  -9.497   6.631   4.454
   45    HA   PRO   9           HA       PRO   9 -16.314   5.986   2.806
   46    HB2  PRO   9           HB2      PRO   9 -17.799   7.357   4.673
   47    HB3  PRO   9           HB1      PRO   9 -17.508   5.610   4.742
   48    HG2  PRO   9           HG2      PRO   9 -16.293   7.782   6.387
   49    HG3  PRO   9           HG1      PRO   9 -16.543   6.075   6.790
   50    HD2  PRO   9           HD2      PRO   9 -14.094   7.245   5.995
   51    HD3  PRO   9           HD1      PRO   9 -14.443   5.505   6.067
   52    H    GLU  10           H        GLU  10 -14.372   8.567   3.956
   53    HA   GLU  10           HA       GLU  10 -15.981  10.646   2.585
   54    HB2  GLU  10           HB2      GLU  10 -14.060  12.131   3.440
   55    HB3  GLU  10           HB1      GLU  10 -15.103  11.405   4.664
   56    HG2  GLU  10           HG2      GLU  10 -13.492   9.848   5.309
   57    HG3  GLU  10           HG1      GLU  10 -12.649   9.928   3.761
   58    H    ASN  11           H        ASN  11 -14.333   8.356   1.321
   59    HA   ASN  11           HA       ASN  11 -12.525  10.032  -0.354
   60    HB2  ASN  11           HB2      ASN  11 -11.301   8.227   0.572
   61    HB3  ASN  11           HB1      ASN  11 -12.614   7.084   0.287
   62   HD21  ASN  11          1HD2      ASN  11 -11.103   5.715  -0.958
   63   HD22  ASN  11          2HD2      ASN  11 -10.659   6.146  -2.536
   64    HA   PRO  12           HA       PRO  12 -15.646   9.495  -3.493
   65    HB2  PRO  12           HB2      PRO  12 -14.346  10.970  -5.410
   66    HB3  PRO  12           HB1      PRO  12 -15.258  11.687  -4.071
   67    HG2  PRO  12           HG2      PRO  12 -12.307  11.501  -4.443
   68    HG3  PRO  12           HG1      PRO  12 -13.249  12.678  -3.513
   69    HD2  PRO  12           HD2      PRO  12 -11.825  10.468  -2.451
   70    HD3  PRO  12           HD1      PRO  12 -13.004  11.470  -1.582
   71    H    CYS  13           H        CYS  13 -12.176   8.976  -4.197
   72    HA   CYS  13           HA       CYS  13 -12.458   7.647  -6.668
   73    HB2  CYS  13           HB2      CYS  13 -10.389   8.032  -4.707
   74    HB3  CYS  13           HB1      CYS  13 -10.366   6.355  -5.257
   75    H    CYS  14           H        CYS  14 -13.478   6.614  -3.555
   76    HA   CYS  14           HA       CYS  14 -13.878   3.881  -4.680
   77    HB2  CYS  14           HB2      CYS  14 -13.447   2.879  -2.574
   78    HB3  CYS  14           HB1      CYS  14 -12.164   4.068  -2.786
   79    H    ASP  15           H        ASP  15 -15.959   3.276  -4.803
   80    HA   ASP  15           HA       ASP  15 -18.113   4.992  -4.138
   81    HB2  ASP  15           HB2      ASP  15 -17.981   2.837  -5.664
   82    HB3  ASP  15           HB1      ASP  15 -18.508   2.020  -4.193
   83    H    ALA  16           H        ALA  16 -18.477   5.646  -2.065
   84    HA   ALA  16           HA       ALA  16 -17.826   4.074   0.256
   85    HB1  ALA  16           HB1      ALA  16 -19.940   6.189   0.376
   86    HB2  ALA  16           HB2      ALA  16 -18.301   6.675  -0.058
   87    HB3  ALA  16           HB3      ALA  16 -18.606   5.877   1.485
   88    H    ALA  17           H        ALA  17 -20.610   4.249  -1.831
   89    HA   ALA  17           HA       ALA  17 -22.551   3.137  -0.034
   90    HB1  ALA  17           HB1      ALA  17 -22.424   2.806  -3.047
   91    HB2  ALA  17           HB2      ALA  17 -23.074   4.232  -2.236
   92    HB3  ALA  17           HB3      ALA  17 -23.856   2.665  -2.027
   93    H    THR  18           H        THR  18 -20.100   1.709  -2.138
   94    HA   THR  18           HA       THR  18 -20.920  -0.992  -1.151
   95    HB   THR  18           HB       THR  18 -19.900  -1.930  -3.108
   96    HG1  THR  18           HG1      THR  18 -18.304  -0.958  -4.039
   97   HG21  THR  18          3HG2      THR  18 -21.982  -0.056  -3.260
   98   HG22  THR  18          1HG2      THR  18 -21.596  -1.303  -4.446
   99   HG23  THR  18          2HG2      THR  18 -20.928   0.319  -4.624
  100    H    CYS  19           H        CYS  19 -18.549   1.445  -0.930
  101    HA   CYS  19           HA       CYS  19 -16.643   1.510   0.464
  102    HB2  CYS  19           HB2      CYS  19 -17.985  -0.475   1.622
  103    HB3  CYS  19           HB1      CYS  19 -16.718  -1.454   0.885
  104    H    LYS  20           H        LYS  20 -16.925   0.338  -2.485
  105    HA   LYS  20           HA       LYS  20 -14.110  -0.685  -2.582
  106    HB2  LYS  20           HB2      LYS  20 -16.484  -1.326  -4.346
  107    HB3  LYS  20           HB1      LYS  20 -14.824  -1.757  -4.761
  108    HG2  LYS  20           HG2      LYS  20 -15.688  -2.506  -2.026
  109    HG3  LYS  20           HG1      LYS  20 -16.472  -3.385  -3.340
  110    HD2  LYS  20           HD2      LYS  20 -13.564  -3.051  -3.677
  111    HD3  LYS  20           HD1      LYS  20 -14.021  -4.035  -2.288
  112    HE2  LYS  20           HE2      LYS  20 -14.672  -5.748  -3.605
  113    HE3  LYS  20           HE1      LYS  20 -15.610  -4.680  -4.647
  114    HZ1  LYS  20           HZ1      LYS  20 -13.573  -4.042  -5.774
  115    HZ2  LYS  20           HZ2      LYS  20 -13.800  -5.724  -5.856
  116    HZ3  LYS  20           HZ3      LYS  20 -12.669  -5.068  -4.770
  117    H    LEU  21           H        LEU  21 -13.614  -0.444  -5.280
  118    HA   LEU  21           HA       LEU  21 -13.263   2.447  -5.523
  119    HB2  LEU  21           HB2      LEU  21 -12.315   0.047  -7.037
  120    HB3  LEU  21           HB1      LEU  21 -12.224   1.637  -7.799
  121    HG   LEU  21           HG       LEU  21 -11.299   1.967  -5.144
  122   HD11  LEU  21          1HD1      LEU  21  -9.462   0.353  -5.032
  123   HD12  LEU  21          2HD1      LEU  21  -9.989  -0.373  -6.549
  124   HD13  LEU  21          3HD1      LEU  21 -11.005  -0.497  -5.116
  125   HD21  LEU  21          3HD2      LEU  21  -9.957   3.266  -6.405
  126   HD22  LEU  21          1HD2      LEU  21 -10.473   2.423  -7.866
  127   HD23  LEU  21          2HD2      LEU  21  -9.102   1.817  -6.935
  128    H    ARG  22           H        ARG  22 -14.480   3.805  -6.766
  129    HA   ARG  22           HA       ARG  22 -16.890   2.751  -8.030
  130    HB2  ARG  22           HB2      ARG  22 -15.961   5.301  -7.095
  131    HB3  ARG  22           HB1      ARG  22 -16.485   5.466  -8.771
  132    HG2  ARG  22           HG2      ARG  22 -18.563   4.087  -8.006
  133    HG3  ARG  22           HG1      ARG  22 -18.074   4.563  -6.380
  134    HD2  ARG  22           HD2      ARG  22 -18.001   6.966  -7.260
  135    HD3  ARG  22           HD1      ARG  22 -18.844   6.360  -8.686
  136    HE   ARG  22           HE       ARG  22 -19.977   6.558  -5.962
  137   HH11  ARG  22          1HH1      ARG  22 -20.145   5.058  -9.045
  138   HH12  ARG  22          2HH1      ARG  22 -21.876   5.028  -9.092
  139   HH21  ARG  22          1HH2      ARG  22 -22.251   6.714  -6.084
  140   HH22  ARG  22          2HH2      ARG  22 -23.068   5.966  -7.415
  141    HA   PRO  23           HA       PRO  23 -14.704   4.168 -12.025
  142    HB2  PRO  23           HB2      PRO  23 -12.171   5.208 -11.816
  143    HB3  PRO  23           HB1      PRO  23 -13.639   6.196 -11.709
  144    HG2  PRO  23           HG2      PRO  23 -11.797   5.329  -9.527
  145    HG3  PRO  23           HG1      PRO  23 -12.835   6.761  -9.616
  146    HD2  PRO  23           HD2      PRO  23 -13.393   4.402  -8.158
  147    HD3  PRO  23           HD1      PRO  23 -14.548   5.695  -8.542
  148    H    GLY  24           H        GLY  24 -12.086   3.725 -12.973
  149    HA2  GLY  24           HA2      GLY  24 -11.762   0.849 -12.340
  150    HA3  GLY  24           HA1      GLY  24 -11.029   1.693 -13.706
  151    H    ALA  25           H        ALA  25 -10.913   3.162 -10.569
  152    HA   ALA  25           HA       ALA  25  -8.041   3.311 -10.587
  153    HB1  ALA  25           HB1      ALA  25  -8.689   3.824  -7.990
  154    HB2  ALA  25           HB2      ALA  25 -10.241   4.117  -8.772
  155    HB3  ALA  25           HB3      ALA  25  -8.814   5.020  -9.279
  156    H    GLN  26           H        GLN  26  -6.527   2.142  -9.339
  157    HA   GLN  26           HA       GLN  26  -7.268  -0.609  -8.733
  158    HB2  GLN  26           HB2      GLN  26  -4.741   1.015  -8.465
  159    HB3  GLN  26           HB1      GLN  26  -4.848  -0.607  -7.787
  160    HG2  GLN  26           HG2      GLN  26  -5.726  -0.184 -10.618
  161    HG3  GLN  26           HG1      GLN  26  -3.996  -0.234 -10.270
  162   HE21  GLN  26          1HE2      GLN  26  -4.153  -2.328 -11.611
  163   HE22  GLN  26          2HE2      GLN  26  -4.579  -3.752 -10.793
  164    H    CYS  27           H        CYS  27  -6.391   2.260  -6.831
  165    HA   CYS  27           HA       CYS  27  -7.715   0.997  -4.486
  166    HB2  CYS  27           HB2      CYS  27  -5.543   0.574  -3.800
  167    HB3  CYS  27           HB1      CYS  27  -4.874   1.918  -4.715
  168    H    GLY  28           H        GLY  28  -8.717   2.521  -3.108
  169    HA2  GLY  28           HA2      GLY  28  -9.069   5.205  -4.317
  170    HA3  GLY  28           HA1      GLY  28 -10.114   4.487  -3.096
  171    H    GLU  29           H        GLU  29  -7.861   3.608  -1.453
  172    HA   GLU  29           HA       GLU  29  -6.527   6.133  -0.708
  173    HB2  GLU  29           HB2      GLU  29  -7.337   6.036   1.576
  174    HB3  GLU  29           HB1      GLU  29  -8.710   6.103   0.485
  175    HG2  GLU  29           HG2      GLU  29  -9.461   4.292   1.622
  176    HG3  GLU  29           HG1      GLU  29  -8.277   3.398   0.669
  177    H    GLY  30           H        GLY  30  -4.518   5.745   0.205
  178    HA2  GLY  30           HA2      GLY  30  -3.618   3.687   1.792
  179    HA3  GLY  30           HA1      GLY  30  -3.547   2.985   0.175
  180    H    LEU  31           H        LEU  31  -1.221   3.430   1.727
  181    HA   LEU  31           HA       LEU  31   0.058   5.929   1.033
  182    HB2  LEU  31           HB2      LEU  31   0.672   3.626   2.607
  183    HB3  LEU  31           HB1      LEU  31   2.000   3.875   1.472
  184    HG   LEU  31           HG       LEU  31   2.305   5.141   3.603
  185   HD11  LEU  31          1HD1      LEU  31   1.826   6.876   1.160
  186   HD12  LEU  31          2HD1      LEU  31   3.289   5.940   1.469
  187   HD13  LEU  31          3HD1      LEU  31   2.858   7.281   2.532
  188   HD21  LEU  31          3HD2      LEU  31   0.508   7.295   3.118
  189   HD22  LEU  31          1HD2      LEU  31   0.524   6.193   4.497
  190   HD23  LEU  31          2HD2      LEU  31  -0.441   5.808   3.072
  191    H    CYS  32           H        CYS  32  -0.119   2.746  -0.484
  192    HA   CYS  32           HA       CYS  32   1.808   3.612  -2.567
  193    HB2  CYS  32           HB2      CYS  32   0.362   0.975  -2.565
  194    HB3  CYS  32           HB1      CYS  32   1.957   1.359  -3.205
  195    H    CYS  33           H        CYS  33  -1.098   4.597  -2.173
  196    HA   CYS  33           HA       CYS  33  -2.198   3.760  -4.809
  197    HB2  CYS  33           HB2      CYS  33  -3.549   5.466  -2.706
  198    HB3  CYS  33           HB1      CYS  33  -4.307   4.643  -4.068
  199    H    GLU  34           H        GLU  34  -0.759   5.023  -6.111
  200    HA   GLU  34           HA       GLU  34  -0.733   7.950  -5.714
  201    HB2  GLU  34           HB2      GLU  34   1.359   6.758  -6.346
  202    HB3  GLU  34           HB1      GLU  34   0.591   6.248  -7.850
  203    HG2  GLU  34           HG2      GLU  34   0.490   8.454  -8.685
  204    HG3  GLU  34           HG1      GLU  34   0.735   9.162  -7.089
  205    H    GLN  35           H        GLN  35  -2.604   8.895  -6.418
  206    HA   GLN  35           HA       GLN  35  -4.175   9.651  -7.995
  207    HB2  GLN  35           HB2      GLN  35  -2.007   8.674  -9.575
  208    HB3  GLN  35           HB1      GLN  35  -3.506   8.097 -10.305
  209    HG2  GLN  35           HG2      GLN  35  -3.644  10.891  -9.410
  210    HG3  GLN  35           HG1      GLN  35  -2.439  10.615 -10.670
  211   HE21  GLN  35          1HE2      GLN  35  -4.612  12.126 -11.440
  212   HE22  GLN  35          2HE2      GLN  35  -5.659  11.220 -12.419
  213    H    CYS  36           H        CYS  36  -4.568   7.350  -6.303
  214    HA   CYS  36           HA       CYS  36  -6.161   5.667  -6.004
  215    HB2  CYS  36           HB2      CYS  36  -7.212   6.697  -8.658
  216    HB3  CYS  36           HB1      CYS  36  -8.076   5.616  -7.559
  217    H    LYS  37           H        LYS  37  -3.622   5.303  -7.594
  218    HA   LYS  37           HA       LYS  37  -4.430   2.766  -8.946
  219    HB2  LYS  37           HB2      LYS  37  -2.520   4.911  -9.857
  220    HB3  LYS  37           HB1      LYS  37  -2.311   3.243 -10.391
  221    HG2  LYS  37           HG2      LYS  37  -5.069   4.313 -10.585
  222    HG3  LYS  37           HG1      LYS  37  -3.891   5.030 -11.685
  223    HD2  LYS  37           HD2      LYS  37  -3.221   2.468 -12.042
  224    HD3  LYS  37           HD1      LYS  37  -4.899   2.222 -11.554
  225    HE2  LYS  37           HE2      LYS  37  -5.020   4.356 -13.349
  226    HE3  LYS  37           HE1      LYS  37  -3.844   3.255 -14.066
  227    HZ1  LYS  37           HZ1      LYS  37  -6.117   1.890 -12.994
  228    HZ2  LYS  37           HZ2      LYS  37  -5.425   1.788 -14.541
  229    HZ3  LYS  37           HZ3      LYS  37  -6.554   3.009 -14.192
  230    H    PHE  38           H        PHE  38  -2.475   1.221  -9.053
  231    HA   PHE  38           HA       PHE  38  -1.291   1.101  -6.379
  232    HB2  PHE  38           HB2      PHE  38  -1.281  -0.685  -8.794
  233    HB3  PHE  38           HB1      PHE  38  -0.090  -0.940  -7.525
  234    HD1  PHE  38           HD2      PHE  38  -3.134   0.544  -6.330
  235    HD2  PHE  38           HD1      PHE  38  -1.293  -3.212  -7.308
  236    HE1  PHE  38           HE2      PHE  38  -4.819  -0.642  -4.956
  237    HE2  PHE  38           HE1      PHE  38  -2.981  -4.395  -5.931
  238    HZ   PHE  38           HZ       PHE  38  -4.745  -3.110  -4.754
  239    H    SER  39           H        SER  39   0.447   2.419  -5.977
  240    HA   SER  39           HA       SER  39   2.196   3.454  -7.985
  241    HB2  SER  39           HB2      SER  39   3.249   2.956  -5.228
  242    HB3  SER  39           HB1      SER  39   3.392   4.394  -6.236
  243    HG   SER  39           HG       SER  39   1.566   5.110  -5.457
  244    H    ARG  40           H        ARG  40   4.700   2.809  -7.841
  245    HA   ARG  40           HA       ARG  40   4.755  -0.076  -8.426
  246    HB2  ARG  40           HB2      ARG  40   7.201   0.460  -8.986
  247    HB3  ARG  40           HB1      ARG  40   5.982   1.265  -9.976
  248    HG2  ARG  40           HG2      ARG  40   6.661   2.747  -7.534
  249    HG3  ARG  40           HG1      ARG  40   8.026   2.545  -8.633
  250    HD2  ARG  40           HD2      ARG  40   5.418   3.318  -9.847
  251    HD3  ARG  40           HD1      ARG  40   6.263   4.551  -8.912
  252    HE   ARG  40           HE       ARG  40   6.965   3.874 -11.530
  253   HH11  ARG  40          1HH2      ARG  40   8.317   5.717  -9.331
  254   HH12  ARG  40          2HH2      ARG  40   9.960   5.205  -9.522
  255   HH21  ARG  40          1HH1      ARG  40   9.144   2.402 -11.393
  256   HH22  ARG  40          2HH1      ARG  40  10.429   3.328 -10.692
  257    H    ALA  41           H        ALA  41   6.515  -1.445  -7.444
  258    HA   ALA  41           HA       ALA  41   6.488  -1.199  -4.559
  259    HB1  ALA  41           HB1      ALA  41   8.535  -2.926  -5.868
  260    HB2  ALA  41           HB2      ALA  41   6.848  -3.302  -6.217
  261    HB3  ALA  41           HB3      ALA  41   7.425  -3.303  -4.551
  262    H    GLY  42           H        GLY  42   8.706  -1.313  -3.356
  263    HA2  GLY  42           HA2      GLY  42  10.761  -0.262  -2.869
  264    HA3  GLY  42           HA1      GLY  42  10.946   0.030  -4.599
  265    H    LYS  43           H        LYS  43   7.976   1.042  -3.125
  266    HA   LYS  43           HA       LYS  43   8.805   3.860  -3.604
  267    HB2  LYS  43           HB2      LYS  43   6.736   3.989  -4.480
  268    HB3  LYS  43           HB1      LYS  43   6.341   2.379  -3.895
  269    HG2  LYS  43           HG2      LYS  43   4.745   3.932  -2.944
  270    HG3  LYS  43           HG1      LYS  43   5.813   3.411  -1.648
  271    HD2  LYS  43           HD2      LYS  43   6.856   5.468  -1.495
  272    HD3  LYS  43           HD1      LYS  43   6.591   5.846  -3.198
  273    HE2  LYS  43           HE2      LYS  43   4.022   5.727  -2.324
  274    HE3  LYS  43           HE1      LYS  43   4.824   6.301  -0.863
  275    HZ1  LYS  43           HZ1      LYS  43   5.289   8.266  -1.791
  276    HZ2  LYS  43           HZ2      LYS  43   4.060   7.874  -2.896
  277    HZ3  LYS  43           HZ3      LYS  43   5.687   7.592  -3.296
  278    H    ILE  44           H        ILE  44   9.431   5.103  -1.942
  279    HA   ILE  44           HA       ILE  44   9.437   4.198   0.770
  280    HB   ILE  44           HB       ILE  44  11.069   5.822   0.106
  281   HG12  ILE  44          2HG1      ILE  44  10.524   7.768   1.659
  282   HG13  ILE  44          1HG1      ILE  44   8.956   7.010   1.925
  283   HG21  ILE  44          1HG2      ILE  44   9.821   8.224  -0.350
  284   HG22  ILE  44          2HG2      ILE  44   8.712   7.087  -1.118
  285   HG23  ILE  44          3HG2      ILE  44  10.404   7.139  -1.613
  286   HD11  ILE  44          3HD1      ILE  44  11.647   5.713   2.433
  287   HD12  ILE  44          1HD1      ILE  44  10.077   4.957   2.702
  288   HD13  ILE  44          2HD1      ILE  44  10.564   6.347   3.671
  289    H    CYS  45           H        CYS  45   7.239   3.630   1.289
  290    HA   CYS  45           HA       CYS  45   5.047   5.484   1.017
  291    HB2  CYS  45           HB2      CYS  45   3.954   3.956   2.745
  292    HB3  CYS  45           HB1      CYS  45   4.492   3.171   1.264
  293    H    ARG  46           H        ARG  46   7.430   4.851   3.520
  294    HA   ARG  46           HA       ARG  46   6.655   7.378   4.844
  295    HB2  ARG  46           HB2      ARG  46   5.950   4.767   5.876
  296    HB3  ARG  46           HB1      ARG  46   7.058   5.581   6.979
  297    HG2  ARG  46           HG2      ARG  46   5.593   7.611   6.870
  298    HG3  ARG  46           HG1      ARG  46   4.447   6.682   5.902
  299    HD2  ARG  46           HD2      ARG  46   4.005   5.171   7.690
  300    HD3  ARG  46           HD1      ARG  46   5.398   5.736   8.612
  301    HE   ARG  46           HE       ARG  46   3.938   8.010   8.476
  302   HH11  ARG  46          1HH1      ARG  46   3.668   5.029  10.017
  303   HH12  ARG  46          2HH1      ARG  46   2.075   5.301  10.638
  304   HH21  ARG  46          1HH2      ARG  46   1.607   8.256   8.886
  305   HH22  ARG  46          2HH2      ARG  46   0.908   7.128   9.998
  306    H    ILE  47           H        ILE  47   8.421   8.369   5.815
  307    HA   ILE  47           HA       ILE  47  11.053   7.348   5.155
  308    HB   ILE  47           HB       ILE  47  10.402   9.797   5.316
  309   HG12  ILE  47          2HG1      ILE  47  12.611  10.039   7.007
  310   HG13  ILE  47          1HG1      ILE  47  12.808   8.447   6.275
  311   HG21  ILE  47          1HG2      ILE  47  10.554  10.762   7.631
  312   HG22  ILE  47          2HG2      ILE  47  10.546   9.117   8.268
  313   HG23  ILE  47          3HG2      ILE  47   9.142   9.730   7.394
  314   HD11  ILE  47          3HD1      ILE  47  13.883  10.053   4.825
  315   HD12  ILE  47          1HD1      ILE  47  12.456  11.089   4.834
  316   HD13  ILE  47          2HD1      ILE  47  12.403   9.521   4.027
  317    H    ALA  48           H        ALA  48  12.630   6.525   6.585
  318    HA   ALA  48           HA       ALA  48  11.699   4.908   8.744
  319    HB1  ALA  48           HB1      ALA  48  14.301   5.631   7.569
  320    HB2  ALA  48           HB2      ALA  48  13.730   4.073   8.165
  321    HB3  ALA  48           HB3      ALA  48  14.373   5.266   9.293
  322    H    ARG  49           H        ARG  49  10.789   5.793  10.540
  323    HA   ARG  49           HA       ARG  49  11.536   8.426  11.522
  324    HB2  ARG  49           HB2      ARG  49   9.831   6.231  12.736
  325    HB3  ARG  49           HB1      ARG  49  10.001   7.851  13.413
  326    HG2  ARG  49           HG2      ARG  49   9.398   8.314  10.733
  327    HG3  ARG  49           HG1      ARG  49   8.367   6.949  11.169
  328    HD2  ARG  49           HD2      ARG  49   8.571   9.547  12.722
  329    HD3  ARG  49           HD1      ARG  49   7.252   9.113  11.635
  330    HE   ARG  49           HE       ARG  49   7.454   7.012  13.495
  331   HH11  ARG  49          1HH1      ARG  49   4.916   8.437  13.202
  332   HH12  ARG  49          2HH1      ARG  49   4.751   9.280  14.706
  333   HH21  ARG  49          1HH2      ARG  49   8.096   8.948  15.560
  334   HH22  ARG  49          2HH2      ARG  49   6.552   9.570  16.040
  335    H    GLY  50           H        GLY  50  13.804   8.217  11.971
  336    HA2  GLY  50           HA2      GLY  50  14.818   7.994  14.401
  337    HA3  GLY  50           HA1      GLY  50  14.547   6.279  14.098
  338    H    ASP  51           H        ASP  51  16.126   5.180  13.015
  339    HA   ASP  51           HA       ASP  51  17.922   6.553  11.144
  340    HB2  ASP  51           HB2      ASP  51  18.675   5.982  13.932
  341    HB3  ASP  51           HB1      ASP  51  19.817   5.362  12.739
  342    H    TRP  52           H        TRP  52  16.109   4.437  10.742
  343    HA   TRP  52           HA       TRP  52  18.013   2.193  10.215
  344    HB2  TRP  52           HB2      TRP  52  15.873   0.727  10.522
  345    HB3  TRP  52           HB1      TRP  52  16.725   1.293  11.959
  346    HD1  TRP  52           HD       TRP  52  14.044   2.882   9.653
  347    HE1  TRP  52           HE1      TRP  52  12.215   3.911  11.149
  348    HE3  TRP  52           HE3      TRP  52  15.883   1.662  14.255
  349    HZ2  TRP  52           HZ2      TRP  52  11.614   4.183  13.930
  350    HZ3  TRP  52           HZ3      TRP  52  14.664   2.318  16.311
  351    HH2  TRP  52           HH       TRP  52  12.533   3.577  16.153
  352    H    ASN  53           H        ASN  53  16.419   0.565   8.714
  353    HA   ASN  53           HA       ASN  53  16.354   1.862   6.176
  354    HB2  ASN  53           HB2      ASN  53  16.434  -0.672   6.718
  355    HB3  ASN  53           HB1      ASN  53  14.677  -0.559   6.830
  356   HD21  ASN  53          1HD2      ASN  53  14.895  -2.082   4.836
  357   HD22  ASN  53          2HD2      ASN  53  15.027  -1.339   3.316
  358    H    ASP  54           H        ASP  54  14.654   2.781   5.008
  359    HA   ASP  54           HA       ASP  54  12.446   3.850   6.569
  360    HB2  ASP  54           HB2      ASP  54  12.601   3.905   3.557
  361    HB3  ASP  54           HB1      ASP  54  11.909   5.107   4.646
  362    H    ASP  55           H        ASP  55  10.601   3.541   4.132
  363    HA   ASP  55           HA       ASP  55   9.916   0.661   4.419
  364    HB2  ASP  55           HB2      ASP  55   8.612   2.108   6.066
  365    HB3  ASP  55           HB1      ASP  55   7.843   2.852   4.663
  366    H    ARG  56           H        ARG  56   9.657  -0.154   2.407
  367    HA   ARG  56           HA       ARG  56   9.048   1.729   0.177
  368    HB2  ARG  56           HB2      ARG  56  10.108  -1.106   0.090
  369    HB3  ARG  56           HB1      ARG  56   9.947  -0.007  -1.278
  370    HG2  ARG  56           HG2      ARG  56  11.470   1.021   1.056
  371    HG3  ARG  56           HG1      ARG  56  12.242  -0.261   0.122
  372    HD2  ARG  56           HD2      ARG  56  11.622   1.142  -1.958
  373    HD3  ARG  56           HD1      ARG  56  11.346   2.461  -0.821
  374    HE   ARG  56           HE       ARG  56  13.974   1.166  -1.341
  375   HH11  ARG  56          1HH2      ARG  56  12.827   4.131  -1.565
  376   HH12  ARG  56          2HH2      ARG  56  13.789   4.876  -0.333
  377   HH21  ARG  56          1HH1      ARG  56  14.871   1.871   1.011
  378   HH22  ARG  56          2HH1      ARG  56  14.945   3.597   1.126
  379    H    CYS  57           H        CYS  57   7.318   1.379  -1.206
  380    HA   CYS  57           HA       CYS  57   5.112  -0.212  -0.150
  381    HB2  CYS  57           HB2      CYS  57   5.526   1.675  -2.414
  382    HB3  CYS  57           HB1      CYS  57   4.239   0.488  -2.600
  383    H    THR  58           H        THR  58   4.139  -1.992  -1.299
  384    HA   THR  58           HA       THR  58   6.066  -3.826  -2.451
  385    HB   THR  58           HB       THR  58   3.381  -4.690  -2.931
  386    HG1  THR  58           HG1      THR  58   2.754  -4.510  -0.645
  387   HG21  THR  58          3HG2      THR  58   5.458  -6.007  -2.287
  388   HG22  THR  58          1HG2      THR  58   3.986  -6.447  -1.421
  389   HG23  THR  58          2HG2      THR  58   5.203  -5.441  -0.636
  390    H    GLY  59           H        GLY  59   3.907  -1.444  -3.715
  391    HA2  GLY  59           HA2      GLY  59   3.965  -0.663  -5.980
  392    HA3  GLY  59           HA1      GLY  59   4.748  -2.171  -6.457
  393    H    GLN  60           H        GLN  60   2.921  -3.974  -5.229
  394    HA   GLN  60           HA       GLN  60   0.549  -3.545  -6.991
  395    HB2  GLN  60           HB2      GLN  60   1.781  -6.065  -5.842
  396    HB3  GLN  60           HB1      GLN  60   0.247  -6.038  -6.712
  397    HG2  GLN  60           HG2      GLN  60   1.633  -4.762  -8.547
  398    HG3  GLN  60           HG1      GLN  60   3.016  -5.510  -7.748
  399   HE21  GLN  60          1HE2      GLN  60   3.378  -6.915  -9.640
  400   HE22  GLN  60          2HE2      GLN  60   2.361  -8.242  -9.938
  401    H    SER  61           H        SER  61   1.345  -2.989  -3.898
  402    HA   SER  61           HA       SER  61  -1.354  -3.811  -2.898
  403    HB2  SER  61           HB2      SER  61   1.174  -4.535  -1.876
  404    HB3  SER  61           HB1      SER  61   0.544  -3.319  -0.769
  405    HG   SER  61           HG       SER  61  -0.843  -4.737  -0.095
  406    H    ALA  62           H        ALA  62  -2.606  -2.123  -2.224
  407    HA   ALA  62           HA       ALA  62  -1.661   0.595  -2.478
  408    HB1  ALA  62           HB1      ALA  62  -3.930   0.596  -2.809
  409    HB2  ALA  62           HB2      ALA  62  -3.955   0.882  -1.069
  410    HB3  ALA  62           HB3      ALA  62  -4.194  -0.747  -1.698
  411    H    ASP  63           H        ASP  63  -2.047  -1.630   0.227
  412    HA   ASP  63           HA       ASP  63  -1.395   0.502   2.168
  413    HB2  ASP  63           HB2      ASP  63  -1.897  -2.463   2.573
  414    HB3  ASP  63           HB1      ASP  63  -1.718  -1.268   3.858
  415    H    CYS  64           H        CYS  64   0.754   1.037   2.158
  416    HA   CYS  64           HA       CYS  64   2.905  -0.567   1.321
  417    HB2  CYS  64           HB2      CYS  64   3.257   1.788   1.693
  418    HB3  CYS  64           HB1      CYS  64   2.815   1.642   3.393
  419    HA   PRO  65           HA       PRO  65   2.926  -3.619   4.485
  420    HB2  PRO  65           HB2      PRO  65   5.115  -4.929   3.490
  421    HB3  PRO  65           HB1      PRO  65   3.488  -5.126   2.839
  422    HG2  PRO  65           HG2      PRO  65   5.818  -3.649   1.719
  423    HG3  PRO  65           HG1      PRO  65   4.437  -4.374   0.877
  424    HD2  PRO  65           HD2      PRO  65   4.765  -1.632   1.431
  425    HD3  PRO  65           HD1      PRO  65   3.254  -2.421   0.935
  426    H    ARG  66           H        ARG  66   4.633  -4.504   6.044
  427    HA   ARG  66           HA       ARG  66   6.239  -2.257   7.056
  428    HB2  ARG  66           HB2      ARG  66   6.666  -3.776   8.981
  429    HB3  ARG  66           HB1      ARG  66   4.943  -3.592   8.651
  430    HG2  ARG  66           HG2      ARG  66   4.876  -5.856   8.615
  431    HG3  ARG  66           HG1      ARG  66   5.651  -5.725   7.036
  432    HD2  ARG  66           HD2      ARG  66   7.641  -6.481   7.819
  433    HD3  ARG  66           HD1      ARG  66   7.529  -5.511   9.287
  434    HE   ARG  66           HE       ARG  66   5.651  -7.650   9.474
  435   HH11  ARG  66          1HH1      ARG  66   8.881  -7.846   8.569
  436   HH12  ARG  66          2HH1      ARG  66   9.372  -8.851   9.891
  437   HH21  ARG  66          1HH2      ARG  66   6.344  -8.598  11.557
  438   HH22  ARG  66          2HH2      ARG  66   7.938  -9.277  11.582
  439    H    ASN  67           H        ASN  67   8.320  -1.997   6.435
  440    HA   ASN  67           HA       ASN  67   9.861  -4.440   5.651
  441    HB2  ASN  67           HB2      ASN  67   9.244  -2.635   3.854
  442    HB3  ASN  67           HB1      ASN  67  10.522  -1.691   4.621
  443   HD21  ASN  67          1HD2      ASN  67  10.669  -2.797   1.910
  444   HD22  ASN  67          2HD2      ASN  67  11.955  -3.905   1.897
  445    H    GLY  68           H        GLY  68   9.714  -1.588   7.604
  446    HA2  GLY  68           HA2      GLY  68  12.527  -1.356   8.191
  447    HA3  GLY  68           HA1      GLY  68  11.219  -0.682   9.164
  448    H    LEU  69           H        LEU  69  13.582  -2.008  10.199
  449    HA   LEU  69           HA       LEU  69  12.896  -4.716  10.984
  450    HB2  LEU  69           HB2      LEU  69  14.769  -4.310  12.694
  451    HB3  LEU  69           HB1      LEU  69  15.220  -4.187  10.993
  452    HG   LEU  69           HG       LEU  69  14.246  -1.638  11.967
  453   HD11  LEU  69          1HD1      LEU  69  15.432  -3.002  14.011
  454   HD12  LEU  69          2HD1      LEU  69  15.492  -1.248  13.838
  455   HD13  LEU  69          3HD1      LEU  69  16.836  -2.236  13.268
  456   HD21  LEU  69          3HD2      LEU  69  15.614  -1.307  10.177
  457   HD22  LEU  69          1HD2      LEU  69  16.499  -2.806  10.461
  458   HD23  LEU  69          2HD2      LEU  69  16.914  -1.352  11.368
  459    H    TYR  70           H        TYR  70  11.136  -5.042  12.271
  460    HA   TYR  70           HA       TYR  70  10.936  -3.417  14.759
  461    HB2  TYR  70           HB2      TYR  70   8.727  -3.953  12.761
  462    HB3  TYR  70           HB1      TYR  70   8.408  -3.457  14.423
  463    HD1  TYR  70           HD2      TYR  70   9.236  -1.256  15.258
  464    HD2  TYR  70           HD1      TYR  70   9.561  -2.397  11.129
  465    HE1  TYR  70           HE2      TYR  70   9.644   1.110  14.637
  466    HE2  TYR  70           HE1      TYR  70   9.970  -0.031  10.508
  467    HH   TYR  70           HH       TYR  70   9.395   2.267  11.548
  468    H    GLY  71           H        GLY  71   9.480  -4.519  16.382
  469    HA2  GLY  71           HA2      GLY  71  10.085  -7.389  16.414
  470    HA3  GLY  71           HA1      GLY  71   9.316  -6.477  17.713
  Start of MODEL   18
    1    H    GLY   1           HT1      GLY   1 -13.572  -7.750   2.727
    2    HA2  GLY   1           HA1      GLY   1 -10.760  -6.958   2.198
    3    HA3  GLY   1           HA2      GLY   1 -11.361  -8.609   2.352
    4    H    LYS   2           H        LYS   2 -13.354  -9.020   0.832
    5    HA   LYS   2           HA       LYS   2 -12.552  -8.053  -1.865
    6    HB2  LYS   2           HB2      LYS   2 -13.852  -9.965  -2.717
    7    HB3  LYS   2           HB1      LYS   2 -12.660 -10.500  -1.533
    8    HG2  LYS   2           HG2      LYS   2 -14.501 -11.603  -0.698
    9    HG3  LYS   2           HG1      LYS   2 -14.709 -10.065   0.140
   10    HD2  LYS   2           HD2      LYS   2 -16.709  -9.831  -0.858
   11    HD3  LYS   2           HD1      LYS   2 -15.887  -9.754  -2.418
   12    HE2  LYS   2           HE2      LYS   2 -16.004 -12.490  -1.483
   13    HE3  LYS   2           HE1      LYS   2 -17.620 -11.785  -1.516
   14    HZ1  LYS   2           HZ1      LYS   2 -16.876 -12.821  -3.643
   15    HZ2  LYS   2           HZ2      LYS   2 -15.709 -11.593  -3.775
   16    HZ3  LYS   2           HZ3      LYS   2 -17.363 -11.202  -3.781
   17    H    GLU   3           H        GLU   3 -14.489  -6.873   0.360
   18    HA   GLU   3           HA       GLU   3 -16.728  -6.303  -1.545
   19    HB2  GLU   3           HB2      GLU   3 -17.595  -7.467   0.391
   20    HB3  GLU   3           HB1      GLU   3 -16.712  -6.399   1.482
   21    HG2  GLU   3           HG2      GLU   3 -18.401  -4.914   1.452
   22    HG3  GLU   3           HG1      GLU   3 -18.306  -4.807  -0.306
   23    H    CYS   4           H        CYS   4 -16.131  -4.599   1.446
   24    HA   CYS   4           HA       CYS   4 -16.064  -2.081  -0.018
   25    HB2  CYS   4           HB2      CYS   4 -17.091  -2.374   2.279
   26    HB3  CYS   4           HB1      CYS   4 -15.456  -2.537   2.920
   27    H    ASP   5           H        ASP   5 -14.251  -1.364  -0.979
   28    HA   ASP   5           HA       ASP   5 -11.625  -2.420  -0.157
   29    HB2  ASP   5           HB2      ASP   5 -12.181  -2.303  -2.551
   30    HB3  ASP   5           HB1      ASP   5 -12.409  -0.559  -2.422
   31    H    CYS   6           H        CYS   6 -13.543   0.364   0.442
   32    HA   CYS   6           HA       CYS   6 -11.237   1.602   1.833
   33    HB2  CYS   6           HB2      CYS   6 -11.541   3.761   0.828
   34    HB3  CYS   6           HB1      CYS   6 -11.427   2.600  -0.495
   35    H    SER   7           H        SER   7 -11.858   2.708   3.692
   36    HA   SER   7           HA       SER   7 -14.673   2.356   4.510
   37    HB2  SER   7           HB2      SER   7 -12.086   2.768   5.859
   38    HB3  SER   7           HB1      SER   7 -13.429   3.636   6.597
   39    HG   SER   7           HG       SER   7 -13.790   0.968   5.823
   40    H    SER   8           H        SER   8 -12.535   4.863   3.413
   41    HA   SER   8           HA       SER   8 -14.042   7.092   4.479
   42    HB2  SER   8           HB2      SER   8 -11.684   7.312   3.786
   43    HB3  SER   8           HB1      SER   8 -12.141   6.967   2.121
   44    HG   SER   8           HG       SER   8 -13.407   8.839   2.143
   45    HA   PRO   9           HA       PRO   9 -17.266   6.555   1.399
   46    HB2  PRO   9           HB2      PRO   9 -18.987   8.355   2.570
   47    HB3  PRO   9           HB1      PRO   9 -18.809   6.677   3.112
   48    HG2  PRO   9           HG2      PRO   9 -17.797   9.177   4.383
   49    HG3  PRO   9           HG1      PRO   9 -18.204   7.623   5.131
   50    HD2  PRO   9           HD2      PRO   9 -15.593   8.545   4.549
   51    HD3  PRO   9           HD1      PRO   9 -16.041   6.880   4.976
   52    H    GLU  10           H        GLU  10 -15.763   9.545   2.477
   53    HA   GLU  10           HA       GLU  10 -16.831  11.077   0.196
   54    HB2  GLU  10           HB2      GLU  10 -15.360  11.671   2.686
   55    HB3  GLU  10           HB1      GLU  10 -14.876  12.651   1.299
   56    HG2  GLU  10           HG2      GLU  10 -16.683  13.820   2.366
   57    HG3  GLU  10           HG1      GLU  10 -17.342  13.102   0.896
   58    H    ASN  11           H        ASN  11 -14.741   8.695   0.244
   59    HA   ASN  11           HA       ASN  11 -12.435   9.930  -1.075
   60    HB2  ASN  11           HB2      ASN  11 -12.365   7.848   0.402
   61    HB3  ASN  11           HB1      ASN  11 -13.124   6.987  -0.937
   62   HD21  ASN  11          1HD2      ASN  11 -10.678   6.007  -0.339
   63   HD22  ASN  11          2HD2      ASN  11  -9.494   6.537  -1.434
   64    HA   PRO  12           HA       PRO  12 -14.601   9.660  -4.987
   65    HB2  PRO  12           HB2      PRO  12 -12.660  10.970  -6.430
   66    HB3  PRO  12           HB1      PRO  12 -13.875  11.799  -5.441
   67    HG2  PRO  12           HG2      PRO  12 -10.978  11.360  -4.878
   68    HG3  PRO  12           HG1      PRO  12 -12.048  12.652  -4.309
   69    HD2  PRO  12           HD2      PRO  12 -11.231  10.404  -2.801
   70    HD3  PRO  12           HD1      PRO  12 -12.562  11.507  -2.389
   71    H    CYS  13           H        CYS  13 -11.899   8.025  -3.932
   72    HA   CYS  13           HA       CYS  13 -11.116   6.922  -6.555
   73    HB2  CYS  13           HB2      CYS  13 -10.187   6.392  -3.721
   74    HB3  CYS  13           HB1      CYS  13  -9.582   5.495  -5.111
   75    H    CYS  14           H        CYS  14 -13.379   6.248  -4.058
   76    HA   CYS  14           HA       CYS  14 -13.978   3.647  -5.372
   77    HB2  CYS  14           HB2      CYS  14 -14.424   2.758  -2.982
   78    HB3  CYS  14           HB1      CYS  14 -12.748   2.860  -3.522
   79    H    ASP  15           H        ASP  15 -16.119   2.967  -5.171
   80    HA   ASP  15           HA       ASP  15 -18.080   5.099  -4.906
   81    HB2  ASP  15           HB2      ASP  15 -18.014   2.907  -6.429
   82    HB3  ASP  15           HB1      ASP  15 -18.848   2.216  -5.045
   83    H    ALA  16           H        ALA  16 -18.795   5.728  -2.924
   84    HA   ALA  16           HA       ALA  16 -18.415   4.200  -0.524
   85    HB1  ALA  16           HB1      ALA  16 -18.677   6.682  -0.584
   86    HB2  ALA  16           HB2      ALA  16 -19.785   5.913   0.552
   87    HB3  ALA  16           HB3      ALA  16 -20.373   6.464  -1.017
   88    H    ALA  17           H        ALA  17 -21.251   4.696  -2.630
   89    HA   ALA  17           HA       ALA  17 -23.212   3.395  -1.109
   90    HB1  ALA  17           HB1      ALA  17 -22.851   3.048  -4.100
   91    HB2  ALA  17           HB2      ALA  17 -23.550   4.489  -3.361
   92    HB3  ALA  17           HB3      ALA  17 -24.357   2.930  -3.190
   93    H    THR  18           H        THR  18 -21.179   1.836  -3.609
   94    HA   THR  18           HA       THR  18 -21.852  -0.819  -2.597
   95    HB   THR  18           HB       THR  18 -20.376  -1.627  -4.357
   96    HG1  THR  18           HG1      THR  18 -19.220   0.769  -3.955
   97   HG21  THR  18          3HG2      THR  18 -22.614  -0.763  -5.004
   98   HG22  THR  18          1HG2      THR  18 -21.425  -0.576  -6.295
   99   HG23  THR  18          2HG2      THR  18 -21.889   0.816  -5.315
  100    H    CYS  19           H        CYS  19 -19.454   1.583  -1.976
  101    HA   CYS  19           HA       CYS  19 -17.854   1.624  -0.243
  102    HB2  CYS  19           HB2      CYS  19 -19.497  -0.392   0.576
  103    HB3  CYS  19           HB1      CYS  19 -17.987  -1.270   0.343
  104    H    LYS  20           H        LYS  20 -17.644   0.198  -3.136
  105    HA   LYS  20           HA       LYS  20 -14.851  -0.764  -2.623
  106    HB2  LYS  20           HB2      LYS  20 -16.430  -1.562  -5.053
  107    HB3  LYS  20           HB1      LYS  20 -15.057  -2.379  -4.311
  108    HG2  LYS  20           HG2      LYS  20 -16.585  -3.724  -3.332
  109    HG3  LYS  20           HG1      LYS  20 -16.955  -2.355  -2.283
  110    HD2  LYS  20           HD2      LYS  20 -19.064  -2.736  -3.131
  111    HD3  LYS  20           HD1      LYS  20 -18.455  -1.659  -4.388
  112    HE2  LYS  20           HE2      LYS  20 -17.856  -4.557  -4.699
  113    HE3  LYS  20           HE1      LYS  20 -19.526  -4.057  -4.960
  114    HZ1  LYS  20           HZ1      LYS  20 -18.742  -3.644  -7.018
  115    HZ2  LYS  20           HZ2      LYS  20 -17.136  -3.436  -6.501
  116    HZ3  LYS  20           HZ3      LYS  20 -18.260  -2.175  -6.319
  117    H    LEU  21           H        LEU  21 -13.821  -0.757  -5.142
  118    HA   LEU  21           HA       LEU  21 -13.233   1.991  -5.614
  119    HB2  LEU  21           HB2      LEU  21 -12.818  -0.532  -7.201
  120    HB3  LEU  21           HB1      LEU  21 -12.404   1.036  -7.895
  121    HG   LEU  21           HG       LEU  21 -11.364   1.056  -5.270
  122   HD11  LEU  21          1HD1      LEU  21 -11.716  -1.555  -5.769
  123   HD12  LEU  21          2HD1      LEU  21 -10.301  -0.957  -4.903
  124   HD13  LEU  21          3HD1      LEU  21 -10.188  -1.332  -6.622
  125   HD21  LEU  21          3HD2      LEU  21 -10.543   1.488  -7.961
  126   HD22  LEU  21          1HD2      LEU  21  -9.350   0.416  -7.225
  127   HD23  LEU  21          2HD2      LEU  21  -9.707   1.979  -6.488
  128    H    ARG  22           H        ARG  22 -13.987   3.427  -7.263
  129    HA   ARG  22           HA       ARG  22 -16.627   2.616  -8.385
  130    HB2  ARG  22           HB2      ARG  22 -17.113   4.520  -7.192
  131    HB3  ARG  22           HB1      ARG  22 -15.520   5.222  -7.437
  132    HG2  ARG  22           HG2      ARG  22 -16.111   5.644  -9.826
  133    HG3  ARG  22           HG1      ARG  22 -17.724   5.004  -9.513
  134    HD2  ARG  22           HD2      ARG  22 -18.340   6.821  -8.200
  135    HD3  ARG  22           HD1      ARG  22 -16.675   7.202  -7.762
  136    HE   ARG  22           HE       ARG  22 -16.626   7.745 -10.412
  137   HH11  ARG  22          1HH2      ARG  22 -18.387   8.851  -7.701
  138   HH12  ARG  22          2HH2      ARG  22 -19.185  10.129  -8.556
  139   HH21  ARG  22          1HH1      ARG  22 -17.895   9.229 -11.645
  140   HH22  ARG  22          2HH1      ARG  22 -18.908  10.342 -10.787
  141    HA   PRO  23           HA       PRO  23 -14.611   4.480 -12.245
  142    HB2  PRO  23           HB2      PRO  23 -12.197   5.775 -12.031
  143    HB3  PRO  23           HB1      PRO  23 -13.761   6.591 -11.856
  144    HG2  PRO  23           HG2      PRO  23 -11.805   5.796  -9.740
  145    HG3  PRO  23           HG1      PRO  23 -12.948   7.149  -9.760
  146    HD2  PRO  23           HD2      PRO  23 -13.325   4.748  -8.358
  147    HD3  PRO  23           HD1      PRO  23 -14.597   5.912  -8.780
  148    H    GLY  24           H        GLY  24 -12.321   4.130 -13.548
  149    HA2  GLY  24           HA2      GLY  24 -11.611   1.359 -13.077
  150    HA3  GLY  24           HA1      GLY  24 -10.879   2.418 -14.285
  151    H    ALA  25           H        ALA  25 -10.973   2.010 -10.728
  152    HA   ALA  25           HA       ALA  25  -8.114   2.884 -10.678
  153    HB1  ALA  25           HB1      ALA  25  -8.805   3.103  -8.107
  154    HB2  ALA  25           HB2      ALA  25 -10.414   3.263  -8.811
  155    HB3  ALA  25           HB3      ALA  25  -9.139   4.393  -9.262
  156    H    GLN  26           H        GLN  26  -6.716   1.748  -9.136
  157    HA   GLN  26           HA       GLN  26  -7.375  -1.134  -9.017
  158    HB2  GLN  26           HB2      GLN  26  -4.963   0.449  -9.219
  159    HB3  GLN  26           HB1      GLN  26  -4.849  -0.651  -7.845
  160    HG2  GLN  26           HG2      GLN  26  -4.624  -2.439  -9.196
  161    HG3  GLN  26           HG1      GLN  26  -6.031  -1.966 -10.149
  162   HE21  GLN  26          1HE2      GLN  26  -4.729  -2.628 -12.098
  163   HE22  GLN  26          2HE2      GLN  26  -3.573  -1.554 -12.722
  164    H    CYS  27           H        CYS  27  -6.629   1.582  -6.873
  165    HA   CYS  27           HA       CYS  27  -7.794   0.015  -4.631
  166    HB2  CYS  27           HB2      CYS  27  -5.731  -0.199  -3.723
  167    HB3  CYS  27           HB1      CYS  27  -5.020   0.870  -4.921
  168    H    GLY  28           H        GLY  28  -8.610   1.437  -2.897
  169    HA2  GLY  28           HA2      GLY  28  -9.500   4.047  -3.995
  170    HA3  GLY  28           HA1      GLY  28 -10.245   3.207  -2.640
  171    H    GLU  29           H        GLU  29  -7.849   2.596  -1.259
  172    HA   GLU  29           HA       GLU  29  -6.546   5.195  -0.755
  173    HB2  GLU  29           HB2      GLU  29  -7.116   5.160   1.606
  174    HB3  GLU  29           HB1      GLU  29  -8.595   5.140   0.660
  175    HG2  GLU  29           HG2      GLU  29  -9.210   3.226   1.653
  176    HG3  GLU  29           HG1      GLU  29  -7.765   2.438   1.018
  177    H    GLY  30           H        GLY  30  -4.490   4.926   0.250
  178    HA2  GLY  30           HA2      GLY  30  -3.437   2.797   1.646
  179    HA3  GLY  30           HA1      GLY  30  -3.350   2.248  -0.030
  180    H    LEU  31           H        LEU  31  -1.120   2.902   1.787
  181    HA   LEU  31           HA       LEU  31   0.032   5.439   1.248
  182    HB2  LEU  31           HB2      LEU  31   1.221   2.738   1.883
  183    HB3  LEU  31           HB1      LEU  31   2.246   4.146   1.599
  184    HG   LEU  31           HG       LEU  31   0.476   5.227   3.326
  185   HD11  LEU  31          1HD1      LEU  31   0.650   2.274   3.982
  186   HD12  LEU  31          2HD1      LEU  31  -0.809   3.221   3.700
  187   HD13  LEU  31          3HD1      LEU  31   0.156   3.500   5.149
  188   HD21  LEU  31          3HD2      LEU  31   3.022   5.056   3.424
  189   HD22  LEU  31          1HD2      LEU  31   2.796   3.531   4.280
  190   HD23  LEU  31          2HD2      LEU  31   2.197   5.034   4.983
  191    H    CYS  32           H        CYS  32   0.298   2.371  -0.542
  192    HA   CYS  32           HA       CYS  32   1.853   3.740  -2.657
  193    HB2  CYS  32           HB2      CYS  32   0.926   0.917  -2.956
  194    HB3  CYS  32           HB1      CYS  32   2.464   1.640  -3.408
  195    H    CYS  33           H        CYS  33  -0.850   4.634  -2.283
  196    HA   CYS  33           HA       CYS  33  -2.108   3.581  -4.778
  197    HB2  CYS  33           HB2      CYS  33  -3.365   4.685  -2.259
  198    HB3  CYS  33           HB1      CYS  33  -4.266   4.468  -3.761
  199    H    GLU  34           H        GLU  34  -1.497   5.032  -6.336
  200    HA   GLU  34           HA       GLU  34  -1.770   7.942  -5.707
  201    HB2  GLU  34           HB2      GLU  34   0.032   6.374  -7.507
  202    HB3  GLU  34           HB1      GLU  34  -0.445   7.991  -8.028
  203    HG2  GLU  34           HG2      GLU  34   0.311   8.878  -5.815
  204    HG3  GLU  34           HG1      GLU  34   0.897   7.265  -5.407
  205    H    GLN  35           H        GLN  35  -3.444   8.996  -6.686
  206    HA   GLN  35           HA       GLN  35  -5.246   9.395  -8.137
  207    HB2  GLN  35           HB2      GLN  35  -3.671   7.597 -10.007
  208    HB3  GLN  35           HB1      GLN  35  -4.975   8.691 -10.471
  209    HG2  GLN  35           HG2      GLN  35  -3.201  10.291  -9.009
  210    HG3  GLN  35           HG1      GLN  35  -2.163   9.278 -10.014
  211   HE21  GLN  35          1HE2      GLN  35  -3.872  12.166 -10.053
  212   HE22  GLN  35          2HE2      GLN  35  -4.065  12.338 -11.731
  213    H    CYS  36           H        CYS  36  -5.232   7.099  -6.280
  214    HA   CYS  36           HA       CYS  36  -6.725   5.363  -5.760
  215    HB2  CYS  36           HB2      CYS  36  -8.058   5.661  -8.438
  216    HB3  CYS  36           HB1      CYS  36  -8.775   5.254  -6.875
  217    H    LYS  37           H        LYS  37  -4.251   5.167  -7.603
  218    HA   LYS  37           HA       LYS  37  -4.870   2.416  -8.606
  219    HB2  LYS  37           HB2      LYS  37  -3.837   4.721 -10.044
  220    HB3  LYS  37           HB1      LYS  37  -2.698   3.375 -10.104
  221    HG2  LYS  37           HG2      LYS  37  -4.078   2.097 -11.384
  222    HG3  LYS  37           HG1      LYS  37  -5.522   2.610 -10.509
  223    HD2  LYS  37           HD2      LYS  37  -6.015   3.913 -12.280
  224    HD3  LYS  37           HD1      LYS  37  -4.637   4.918 -11.830
  225    HE2  LYS  37           HE2      LYS  37  -3.256   3.085 -13.126
  226    HE3  LYS  37           HE1      LYS  37  -4.804   2.753 -13.901
  227    HZ1  LYS  37           HZ1      LYS  37  -3.514   5.423 -13.748
  228    HZ2  LYS  37           HZ2      LYS  37  -4.961   5.051 -14.558
  229    HZ3  LYS  37           HZ3      LYS  37  -3.487   4.408 -15.107
  230    H    PHE  38           H        PHE  38  -2.680   1.168  -8.907
  231    HA   PHE  38           HA       PHE  38  -1.301   1.270  -6.333
  232    HB2  PHE  38           HB2      PHE  38  -1.152  -0.485  -8.764
  233    HB3  PHE  38           HB1      PHE  38   0.152  -0.532  -7.587
  234    HD1  PHE  38           HD1      PHE  38  -2.997   0.384  -6.131
  235    HD2  PHE  38           HD2      PHE  38  -0.629  -2.979  -7.366
  236    HE1  PHE  38           HE1      PHE  38  -4.346  -1.104  -4.676
  237    HE2  PHE  38           HE2      PHE  38  -1.977  -4.466  -5.914
  238    HZ   PHE  38           HZ       PHE  38  -3.838  -3.528  -4.568
  239    H    SER  39           H        SER  39   0.450   2.545  -5.940
  240    HA   SER  39           HA       SER  39   1.734   4.087  -7.992
  241    HB2  SER  39           HB2      SER  39   2.897   3.373  -5.281
  242    HB3  SER  39           HB1      SER  39   3.282   4.776  -6.271
  243    HG   SER  39           HG       SER  39   0.606   4.403  -5.639
  244    H    ARG  40           H        ARG  40   4.444   3.040  -6.530
  245    HA   ARG  40           HA       ARG  40   4.757   0.602  -8.196
  246    HB2  ARG  40           HB2      ARG  40   6.236   3.187  -8.503
  247    HB3  ARG  40           HB1      ARG  40   7.127   1.682  -8.742
  248    HG2  ARG  40           HG2      ARG  40   4.471   1.846 -10.061
  249    HG3  ARG  40           HG1      ARG  40   5.729   2.894 -10.719
  250    HD2  ARG  40           HD2      ARG  40   7.189   1.032 -11.125
  251    HD3  ARG  40           HD1      ARG  40   6.151  -0.060 -10.208
  252    HE   ARG  40           HE       ARG  40   4.735  -0.231 -12.099
  253   HH11  ARG  40          1HH2      ARG  40   4.482   2.744 -12.569
  254   HH12  ARG  40          2HH2      ARG  40   5.205   2.913 -14.134
  255   HH21  ARG  40          1HH1      ARG  40   6.750  -0.190 -14.050
  256   HH22  ARG  40          2HH1      ARG  40   6.489   1.253 -14.972
  257    H    ALA  41           H        ALA  41   6.666  -0.677  -7.532
  258    HA   ALA  41           HA       ALA  41   7.024  -0.660  -4.655
  259    HB1  ALA  41           HB1      ALA  41   7.426  -2.516  -6.694
  260    HB2  ALA  41           HB2      ALA  41   7.880  -2.733  -5.003
  261    HB3  ALA  41           HB3      ALA  41   9.063  -2.128  -6.163
  262    H    GLY  42           H        GLY  42   9.379  -0.633  -3.741
  263    HA2  GLY  42           HA2      GLY  42  11.401   0.566  -3.475
  264    HA3  GLY  42           HA1      GLY  42  11.320   0.956  -5.193
  265    H    LYS  43           H        LYS  43   8.580   1.588  -3.121
  266    HA   LYS  43           HA       LYS  43   9.113   4.509  -3.497
  267    HB2  LYS  43           HB2      LYS  43   7.050   4.431  -4.421
  268    HB3  LYS  43           HB1      LYS  43   6.727   2.833  -3.767
  269    HG2  LYS  43           HG2      LYS  43   5.129   4.530  -2.906
  270    HG3  LYS  43           HG1      LYS  43   6.088   3.834  -1.603
  271    HD2  LYS  43           HD2      LYS  43   7.049   5.823  -1.120
  272    HD3  LYS  43           HD1      LYS  43   7.373   6.163  -2.820
  273    HE2  LYS  43           HE2      LYS  43   4.832   6.637  -2.996
  274    HE3  LYS  43           HE1      LYS  43   4.874   6.734  -1.236
  275    HZ1  LYS  43           HZ1      LYS  43   6.998   8.229  -1.971
  276    HZ2  LYS  43           HZ2      LYS  43   5.464   8.842  -1.571
  277    HZ3  LYS  43           HZ3      LYS  43   5.879   8.581  -3.198
  278    H    ILE  44           H        ILE  44   9.782   5.545  -1.728
  279    HA   ILE  44           HA       ILE  44   9.879   4.392   0.870
  280    HB   ILE  44           HB       ILE  44  11.343   6.243   0.068
  281   HG12  ILE  44          2HG1      ILE  44  11.468   7.368   2.182
  282   HG13  ILE  44          1HG1      ILE  44   9.760   7.069   2.513
  283   HG21  ILE  44          1HG2      ILE  44   9.239   8.227   0.741
  284   HG22  ILE  44          2HG2      ILE  44   9.078   7.401  -0.809
  285   HG23  ILE  44          3HG2      ILE  44  10.538   8.322  -0.447
  286   HD11  ILE  44          3HD1      ILE  44  10.113   4.874   3.087
  287   HD12  ILE  44          1HD1      ILE  44  11.695   5.518   3.521
  288   HD13  ILE  44          2HD1      ILE  44  11.473   4.695   1.979
  289    H    CYS  45           H        CYS  45   7.538   3.687   0.963
  290    HA   CYS  45           HA       CYS  45   5.326   5.398   1.081
  291    HB2  CYS  45           HB2      CYS  45   4.548   3.715   2.981
  292    HB3  CYS  45           HB1      CYS  45   4.644   3.214   1.299
  293    H    ARG  46           H        ARG  46   7.778   4.850   3.596
  294    HA   ARG  46           HA       ARG  46   6.891   7.332   4.904
  295    HB2  ARG  46           HB2      ARG  46   5.836   4.870   5.789
  296    HB3  ARG  46           HB1      ARG  46   7.071   5.315   6.966
  297    HG2  ARG  46           HG2      ARG  46   5.517   7.638   6.211
  298    HG3  ARG  46           HG1      ARG  46   4.459   6.350   6.787
  299    HD2  ARG  46           HD2      ARG  46   6.884   6.657   8.409
  300    HD3  ARG  46           HD1      ARG  46   5.864   8.096   8.406
  301    HE   ARG  46           HE       ARG  46   4.046   6.103   8.873
  302   HH11  ARG  46          1HH1      ARG  46   5.861   8.007  10.777
  303   HH12  ARG  46          2HH1      ARG  46   6.060   6.896  12.091
  304   HH21  ARG  46          1HH2      ARG  46   4.840   4.173  10.324
  305   HH22  ARG  46          2HH2      ARG  46   5.481   4.726  11.835
  306    H    ILE  47           H        ILE  47   8.220   7.217   7.240
  307    HA   ILE  47           HA       ILE  47  11.036   6.743   6.369
  308    HB   ILE  47           HB       ILE  47  10.579   8.477   8.714
  309   HG12  ILE  47          2HG1      ILE  47   8.624   9.043   7.209
  310   HG13  ILE  47          1HG1      ILE  47   9.747  10.379   7.466
  311   HG21  ILE  47          1HG2      ILE  47  12.301   9.780   7.635
  312   HG22  ILE  47          2HG2      ILE  47  12.065   8.917   6.114
  313   HG23  ILE  47          3HG2      ILE  47  12.747   8.079   7.509
  314   HD11  ILE  47          3HD1      ILE  47  10.709   8.888   5.241
  315   HD12  ILE  47          1HD1      ILE  47  10.058  10.527   5.245
  316   HD13  ILE  47          2HD1      ILE  47   8.982   9.152   4.988
  317    H    ALA  48           H        ALA  48  12.503   6.441   8.426
  318    HA   ALA  48           HA       ALA  48  11.192   4.336  10.085
  319    HB1  ALA  48           HB1      ALA  48  14.135   4.606  10.171
  320    HB2  ALA  48           HB2      ALA  48  13.476   4.168   8.595
  321    HB3  ALA  48           HB3      ALA  48  13.142   3.158  10.002
  322    H    ARG  49           H        ARG  49  11.532   4.346  12.362
  323    HA   ARG  49           HA       ARG  49  11.711   6.986  13.547
  324    HB2  ARG  49           HB2      ARG  49  11.463   4.186  14.645
  325    HB3  ARG  49           HB1      ARG  49  11.712   5.564  15.718
  326    HG2  ARG  49           HG2      ARG  49   9.514   6.024  15.603
  327    HG3  ARG  49           HG1      ARG  49   9.684   6.307  13.870
  328    HD2  ARG  49           HD2      ARG  49   8.581   4.403  13.403
  329    HD3  ARG  49           HD1      ARG  49   9.701   3.470  14.396
  330    HE   ARG  49           HE       ARG  49   7.702   4.926  15.954
  331   HH11  ARG  49          1HH1      ARG  49   7.559   2.447  13.679
  332   HH12  ARG  49          2HH1      ARG  49   6.841   1.282  14.741
  333   HH21  ARG  49          1HH2      ARG  49   7.175   3.259  17.570
  334   HH22  ARG  49          2HH2      ARG  49   6.622   1.742  16.942
  335    H    GLY  50           H        GLY  50  13.948   7.390  12.601
  336    HA2  GLY  50           HA2      GLY  50  15.977   7.753  14.282
  337    HA3  GLY  50           HA1      GLY  50  16.124   6.008  14.073
  338    H    ASP  51           H        ASP  51  17.723   5.567  12.636
  339    HA   ASP  51           HA       ASP  51  17.740   7.056  10.063
  340    HB2  ASP  51           HB2      ASP  51  19.989   6.872  12.050
  341    HB3  ASP  51           HB1      ASP  51  20.351   6.968  10.326
  342    H    TRP  52           H        TRP  52  16.721   4.532  10.286
  343    HA   TRP  52           HA       TRP  52  18.887   2.867   9.073
  344    HB2  TRP  52           HB2      TRP  52  17.495   0.898  10.070
  345    HB3  TRP  52           HB1      TRP  52  18.562   1.800  11.142
  346    HD1  TRP  52           HD       TRP  52  14.962   2.500   9.887
  347    HE1  TRP  52           HE1      TRP  52  13.494   3.026  11.940
  348    HE3  TRP  52           HE3      TRP  52  18.413   1.922  13.601
  349    HZ2  TRP  52           HZ2      TRP  52  13.754   3.182  14.787
  350    HZ3  TRP  52           HZ3      TRP  52  17.780   2.269  15.971
  351    HH2  TRP  52           HH       TRP  52  15.458   2.898  16.569
  352    H    ASN  53           H        ASN  53  17.292   0.723   8.263
  353    HA   ASN  53           HA       ASN  53  16.275   1.513   5.803
  354    HB2  ASN  53           HB2      ASN  53  16.016  -0.845   7.516
  355    HB3  ASN  53           HB1      ASN  53  14.593  -0.584   6.506
  356   HD21  ASN  53          1HD2      ASN  53  14.952  -0.469   4.123
  357   HD22  ASN  53          2HD2      ASN  53  16.329  -1.189   3.441
  358    H    ASP  54           H        ASP  54  14.400   2.438   5.082
  359    HA   ASP  54           HA       ASP  54  12.454   3.329   7.149
  360    HB2  ASP  54           HB2      ASP  54  12.789   4.201   4.264
  361    HB3  ASP  54           HB1      ASP  54  11.708   4.936   5.448
  362    H    ASP  55           H        ASP  55  10.484   3.715   4.819
  363    HA   ASP  55           HA       ASP  55   9.603   0.857   4.707
  364    HB2  ASP  55           HB2      ASP  55   7.738   3.221   4.525
  365    HB3  ASP  55           HB1      ASP  55   7.360   1.552   4.952
  366    H    ARG  56           H        ARG  56   9.440   0.037   2.677
  367    HA   ARG  56           HA       ARG  56   9.344   1.967   0.390
  368    HB2  ARG  56           HB2      ARG  56  11.412   0.431   0.762
  369    HB3  ARG  56           HB1      ARG  56  10.358  -0.861   0.190
  370    HG2  ARG  56           HG2      ARG  56  10.785  -0.220  -1.915
  371    HG3  ARG  56           HG1      ARG  56   9.983   1.314  -1.575
  372    HD2  ARG  56           HD2      ARG  56  12.091   2.067  -2.198
  373    HD3  ARG  56           HD1      ARG  56  12.299   1.917  -0.452
  374    HE   ARG  56           HE       ARG  56  13.042  -0.569  -1.418
  375   HH11  ARG  56          1HH2      ARG  56  13.747   1.248  -3.831
  376   HH12  ARG  56          2HH2      ARG  56  15.428   1.526  -3.524
  377   HH21  ARG  56          1HH1      ARG  56  15.284   0.410  -0.244
  378   HH22  ARG  56          2HH1      ARG  56  16.300   1.052  -1.492
  379    H    CYS  57           H        CYS  57   7.593   1.830  -0.889
  380    HA   CYS  57           HA       CYS  57   5.458  -0.025  -0.322
  381    HB2  CYS  57           HB2      CYS  57   5.985   2.136  -2.284
  382    HB3  CYS  57           HB1      CYS  57   4.810   0.921  -2.769
  383    H    THR  58           H        THR  58   4.724  -1.747  -1.675
  384    HA   THR  58           HA       THR  58   6.902  -3.174  -3.036
  385    HB   THR  58           HB       THR  58   4.408  -4.521  -3.326
  386    HG1  THR  58           HG1      THR  58   3.902  -4.581  -1.044
  387   HG21  THR  58          3HG2      THR  58   6.960  -4.844  -1.804
  388   HG22  THR  58          1HG2      THR  58   6.236  -5.901  -3.018
  389   HG23  THR  58          2HG2      THR  58   5.598  -5.880  -1.374
  390    H    GLY  59           H        GLY  59   4.343  -1.070  -3.903
  391    HA2  GLY  59           HA2      GLY  59   3.946  -0.193  -6.083
  392    HA3  GLY  59           HA1      GLY  59   4.964  -1.469  -6.752
  393    H    GLN  60           H        GLN  60   3.788  -3.751  -5.803
  394    HA   GLN  60           HA       GLN  60   1.245  -3.762  -7.307
  395    HB2  GLN  60           HB2      GLN  60   3.165  -5.847  -6.325
  396    HB3  GLN  60           HB1      GLN  60   1.497  -6.317  -6.652
  397    HG2  GLN  60           HG2      GLN  60   2.984  -4.687  -8.687
  398    HG3  GLN  60           HG1      GLN  60   3.288  -6.421  -8.583
  399   HE21  GLN  60          1HE2      GLN  60   1.838  -4.841 -10.732
  400   HE22  GLN  60          2HE2      GLN  60   0.307  -5.567 -10.849
  401    H    SER  61           H        SER  61   2.002  -2.961  -4.263
  402    HA   SER  61           HA       SER  61  -0.506  -4.179  -3.178
  403    HB2  SER  61           HB2      SER  61   2.090  -3.656  -1.703
  404    HB3  SER  61           HB1      SER  61   0.594  -4.193  -0.946
  405    HG   SER  61           HG       SER  61   2.120  -5.534  -2.933
  406    H    ALA  62           H        ALA  62  -1.966  -2.606  -2.723
  407    HA   ALA  62           HA       ALA  62  -1.427   0.173  -2.907
  408    HB1  ALA  62           HB1      ALA  62  -3.615   0.162  -1.318
  409    HB2  ALA  62           HB2      ALA  62  -3.670  -1.498  -1.907
  410    HB3  ALA  62           HB3      ALA  62  -3.689  -0.157  -3.051
  411    H    ASP  63           H        ASP  63  -1.574  -1.955  -0.054
  412    HA   ASP  63           HA       ASP  63  -0.908   0.269   1.744
  413    HB2  ASP  63           HB2      ASP  63  -0.777  -1.596   3.460
  414    HB3  ASP  63           HB1      ASP  63  -2.337  -1.442   2.653
  415    H    CYS  64           H        CYS  64   1.100   0.492   2.840
  416    HA   CYS  64           HA       CYS  64   3.399  -0.579   1.342
  417    HB2  CYS  64           HB2      CYS  64   3.725   1.688   1.854
  418    HB3  CYS  64           HB1      CYS  64   3.023   1.534   3.457
  419    HA   PRO  65           HA       PRO  65   4.081  -3.842   4.179
  420    HB2  PRO  65           HB2      PRO  65   6.517  -4.547   3.154
  421    HB3  PRO  65           HB1      PRO  65   4.990  -4.982   2.388
  422    HG2  PRO  65           HG2      PRO  65   7.007  -2.949   1.582
  423    HG3  PRO  65           HG1      PRO  65   5.817  -3.807   0.587
  424    HD2  PRO  65           HD2      PRO  65   5.597  -1.146   1.517
  425    HD3  PRO  65           HD1      PRO  65   4.299  -2.118   0.795
  426    H    ARG  66           H        ARG  66   5.383  -4.201   6.068
  427    HA   ARG  66           HA       ARG  66   6.755  -1.864   7.108
  428    HB2  ARG  66           HB2      ARG  66   5.608  -4.196   8.188
  429    HB3  ARG  66           HB1      ARG  66   7.326  -4.298   8.577
  430    HG2  ARG  66           HG2      ARG  66   6.951  -1.720   9.190
  431    HG3  ARG  66           HG1      ARG  66   5.302  -2.288   9.456
  432    HD2  ARG  66           HD2      ARG  66   7.058  -4.208  10.613
  433    HD3  ARG  66           HD1      ARG  66   7.586  -2.615  11.155
  434    HE   ARG  66           HE       ARG  66   5.169  -2.268  11.887
  435   HH11  ARG  66          1HH1      ARG  66   5.138  -5.285  10.604
  436   HH12  ARG  66          2HH1      ARG  66   4.666  -6.126  12.042
  437   HH21  ARG  66          1HH2      ARG  66   5.157  -3.393  14.120
  438   HH22  ARG  66          2HH2      ARG  66   4.678  -5.056  14.033
  439    H    ASN  67           H        ASN  67   8.867  -1.361   6.775
  440    HA   ASN  67           HA       ASN  67  10.784  -3.583   6.251
  441    HB2  ASN  67           HB2      ASN  67  10.007  -1.403   4.431
  442    HB3  ASN  67           HB1      ASN  67  11.750  -1.559   4.656
  443   HD21  ASN  67          1HD2      ASN  67  10.584  -2.216   2.150
  444   HD22  ASN  67          2HD2      ASN  67  10.696  -3.895   1.916
  445    H    GLY  68           H        GLY  68  10.076  -1.494   8.455
  446    HA2  GLY  68           HA2      GLY  68  12.248   0.331   8.696
  447    HA3  GLY  68           HA1      GLY  68  11.299  -0.282  10.051
  448    H    LEU  69           H        LEU  69  13.236  -0.490  11.344
  449    HA   LEU  69           HA       LEU  69  15.130  -2.606  10.418
  450    HB2  LEU  69           HB2      LEU  69  16.213  -0.491  10.997
  451    HB3  LEU  69           HB1      LEU  69  15.427  -0.494  12.576
  452    HG   LEU  69           HG       LEU  69  16.844  -2.993  12.049
  453   HD11  LEU  69          1HD1      LEU  69  18.277  -1.374  10.761
  454   HD12  LEU  69          2HD1      LEU  69  19.101  -2.116  12.132
  455   HD13  LEU  69          3HD1      LEU  69  18.501  -0.462  12.255
  456   HD21  LEU  69          3HD2      LEU  69  16.544  -2.802  14.291
  457   HD22  LEU  69          1HD2      LEU  69  16.342  -1.053  14.198
  458   HD23  LEU  69          2HD2      LEU  69  17.961  -1.751  14.254
  459    H    TYR  70           H        TYR  70  12.364  -2.490  12.069
  460    HA   TYR  70           HA       TYR  70  13.277  -4.232  14.307
  461    HB2  TYR  70           HB2      TYR  70  10.566  -2.965  13.796
  462    HB3  TYR  70           HB1      TYR  70  11.024  -3.877  15.235
  463    HD1  TYR  70           HD2      TYR  70  13.626  -2.995  15.975
  464    HD2  TYR  70           HD1      TYR  70  10.420  -0.689  14.285
  465    HE1  TYR  70           HE2      TYR  70  14.574  -0.936  16.984
  466    HE2  TYR  70           HE1      TYR  70  11.368   1.369  15.292
  467    HH   TYR  70           HH       TYR  70  14.476   1.322  16.989
  468    H    GLY  71           H        GLY  71  12.745  -6.395  14.332
  469    HA2  GLY  71           HA2      GLY  71  11.864  -7.654  11.903
  470    HA3  GLY  71           HA1      GLY  71  12.055  -8.463  13.458
  Start of MODEL   19
    1    H    GLY   1           HT1      GLY   1 -13.284  -9.542  -2.287
    2    HA2  GLY   1           HA1      GLY   1 -11.405 -11.171  -0.693
    3    HA3  GLY   1           HA2      GLY   1 -10.875  -9.718  -1.541
    4    H    LYS   2           H        LYS   2 -11.130  -7.815  -0.463
    5    HA   LYS   2           HA       LYS   2 -12.551  -7.844   2.115
    6    HB2  LYS   2           HB2      LYS   2 -10.344  -6.431   1.041
    7    HB3  LYS   2           HB1      LYS   2 -11.599  -5.231   1.353
    8    HG2  LYS   2           HG2      LYS   2 -10.330  -5.449   3.383
    9    HG3  LYS   2           HG1      LYS   2 -11.869  -6.267   3.653
   10    HD2  LYS   2           HD2      LYS   2  -9.886  -8.058   2.487
   11    HD3  LYS   2           HD1      LYS   2  -9.335  -7.377   4.019
   12    HE2  LYS   2           HE2      LYS   2 -12.155  -8.237   4.020
   13    HE3  LYS   2           HE1      LYS   2 -10.996  -9.548   3.802
   14    HZ1  LYS   2           HZ1      LYS   2 -10.020  -9.149   5.823
   15    HZ2  LYS   2           HZ2      LYS   2 -11.641  -8.780   6.174
   16    HZ3  LYS   2           HZ3      LYS   2 -10.525  -7.532   5.887
   17    H    GLU   3           H        GLU   3 -13.838  -5.643   2.518
   18    HA   GLU   3           HA       GLU   3 -15.648  -5.256   0.165
   19    HB2  GLU   3           HB2      GLU   3 -17.471  -4.888   1.845
   20    HB3  GLU   3           HB1      GLU   3 -16.810  -6.523   1.889
   21    HG2  GLU   3           HG2      GLU   3 -15.385  -4.629   3.629
   22    HG3  GLU   3           HG1      GLU   3 -17.072  -4.877   4.082
   23    H    CYS   4           H        CYS   4 -13.488  -3.762   2.288
   24    HA   CYS   4           HA       CYS   4 -14.723  -1.108   1.679
   25    HB2  CYS   4           HB2      CYS   4 -13.773  -2.218   4.197
   26    HB3  CYS   4           HB1      CYS   4 -12.939  -0.718   3.800
   27    H    ASP   5           H        ASP   5 -13.519  -0.783  -0.242
   28    HA   ASP   5           HA       ASP   5 -10.595  -1.068  -0.185
   29    HB2  ASP   5           HB2      ASP   5 -12.515  -1.099  -2.204
   30    HB3  ASP   5           HB1      ASP   5 -11.698   0.448  -2.431
   31    H    CYS   6           H        CYS   6 -12.469   1.054   1.297
   32    HA   CYS   6           HA       CYS   6 -10.453   3.190   1.162
   33    HB2  CYS   6           HB2      CYS   6 -12.852   3.348  -0.366
   34    HB3  CYS   6           HB1      CYS   6 -13.003   4.488   0.968
   35    H    SER   7           H        SER   7 -11.083   4.940   2.840
   36    HA   SER   7           HA       SER   7 -12.536   3.612   5.095
   37    HB2  SER   7           HB2      SER   7 -10.754   5.693   5.991
   38    HB3  SER   7           HB1      SER   7 -10.745   3.980   6.404
   39    HG   SER   7           HG       SER   7  -9.102   5.343   4.785
   40    H    SER   8           H        SER   8 -12.473   6.253   2.964
   41    HA   SER   8           HA       SER   8 -14.205   7.843   4.805
   42    HB2  SER   8           HB2      SER   8 -12.240   8.599   2.690
   43    HB3  SER   8           HB1      SER   8 -13.654   9.629   2.894
   44    HG   SER   8           HG       SER   8 -12.870  10.303   4.726
   45    HA   PRO   9           HA       PRO   9 -17.464   6.835   1.976
   46    HB2  PRO   9           HB2      PRO   9 -19.353   8.489   3.098
   47    HB3  PRO   9           HB1      PRO   9 -18.875   6.934   3.802
   48    HG2  PRO   9           HG2      PRO   9 -18.185   9.691   4.701
   49    HG3  PRO   9           HG1      PRO   9 -18.276   8.192   5.643
   50    HD2  PRO   9           HD2      PRO   9 -15.904   9.436   4.708
   51    HD3  PRO   9           HD1      PRO   9 -16.035   7.796   5.380
   52    H    GLU  10           H        GLU  10 -16.287  10.081   2.553
   53    HA   GLU  10           HA       GLU  10 -17.818  11.231   0.317
   54    HB2  GLU  10           HB2      GLU  10 -15.751  12.318   2.236
   55    HB3  GLU  10           HB1      GLU  10 -16.324  13.258   0.857
   56    HG2  GLU  10           HG2      GLU  10 -18.492  13.425   1.699
   57    HG3  GLU  10           HG1      GLU  10 -18.323  11.983   2.700
   58    H    ASN  11           H        ASN  11 -15.511   9.079   0.196
   59    HA   ASN  11           HA       ASN  11 -13.577  10.447  -1.539
   60    HB2  ASN  11           HB2      ASN  11 -12.928   8.582   0.015
   61    HB3  ASN  11           HB1      ASN  11 -13.877   7.483  -0.987
   62   HD21  ASN  11          1HD2      ASN  11 -10.814   7.824  -0.507
   63   HD22  ASN  11          2HD2      ASN  11 -10.176   7.851  -2.081
   64    HA   PRO  12           HA       PRO  12 -16.082   9.573  -5.120
   65    HB2  PRO  12           HB2      PRO  12 -14.347  10.687  -6.936
   66    HB3  PRO  12           HB1      PRO  12 -15.438  11.642  -5.917
   67    HG2  PRO  12           HG2      PRO  12 -12.491  11.268  -5.675
   68    HG3  PRO  12           HG1      PRO  12 -13.499  12.618  -5.127
   69    HD2  PRO  12           HD2      PRO  12 -12.467  10.541  -3.495
   70    HD3  PRO  12           HD1      PRO  12 -13.719  11.713  -3.032
   71    H    CYS  13           H        CYS  13 -12.681   8.705  -4.776
   72    HA   CYS  13           HA       CYS  13 -12.677   6.893  -7.058
   73    HB2  CYS  13           HB2      CYS  13 -10.707   8.153  -5.678
   74    HB3  CYS  13           HB1      CYS  13 -10.644   6.556  -4.929
   75    H    CYS  14           H        CYS  14 -14.110   6.701  -4.071
   76    HA   CYS  14           HA       CYS  14 -14.124   3.729  -4.247
   77    HB2  CYS  14           HB2      CYS  14 -14.138   4.814  -1.492
   78    HB3  CYS  14           HB1      CYS  14 -13.366   3.366  -2.132
   79    H    ASP  15           H        ASP  15 -16.229   3.261  -4.578
   80    HA   ASP  15           HA       ASP  15 -18.443   4.923  -4.171
   81    HB2  ASP  15           HB2      ASP  15 -18.135   2.461  -5.207
   82    HB3  ASP  15           HB1      ASP  15 -18.822   2.015  -3.647
   83    H    ALA  16           H        ALA  16 -19.209   5.794  -2.307
   84    HA   ALA  16           HA       ALA  16 -18.323   4.980   0.294
   85    HB1  ALA  16           HB1      ALA  16 -20.881   6.337   0.376
   86    HB2  ALA  16           HB2      ALA  16 -19.807   7.114  -0.787
   87    HB3  ALA  16           HB3      ALA  16 -19.299   6.921   0.891
   88    H    ALA  17           H        ALA  17 -21.205   4.185  -1.607
   89    HA   ALA  17           HA       ALA  17 -22.713   2.912   0.427
   90    HB1  ALA  17           HB1      ALA  17 -23.809   1.678  -1.405
   91    HB2  ALA  17           HB2      ALA  17 -22.516   2.157  -2.506
   92    HB3  ALA  17           HB3      ALA  17 -23.600   3.376  -1.834
   93    H    THR  18           H        THR  18 -20.817   1.157  -2.059
   94    HA   THR  18           HA       THR  18 -20.663  -1.186  -0.330
   95    HB   THR  18           HB       THR  18 -20.790  -1.377  -2.804
   96    HG1  THR  18           HG1      THR  18 -19.863  -3.081  -1.726
   97   HG21  THR  18          3HG2      THR  18 -19.537   0.061  -3.998
   98   HG22  THR  18          1HG2      THR  18 -18.143  -0.939  -3.588
   99   HG23  THR  18          2HG2      THR  18 -18.549   0.460  -2.594
  100    H    CYS  19           H        CYS  19 -18.875   1.688  -0.556
  101    HA   CYS  19           HA       CYS  19 -16.891   2.353   0.509
  102    HB2  CYS  19           HB2      CYS  19 -17.832   1.120   2.436
  103    HB3  CYS  19           HB1      CYS  19 -17.134  -0.374   1.822
  104    H    LYS  20           H        LYS  20 -16.829   0.921  -2.077
  105    HA   LYS  20           HA       LYS  20 -14.020  -0.072  -1.881
  106    HB2  LYS  20           HB2      LYS  20 -16.404  -1.411  -3.076
  107    HB3  LYS  20           HB1      LYS  20 -14.858  -1.593  -3.905
  108    HG2  LYS  20           HG2      LYS  20 -13.890  -2.238  -1.617
  109    HG3  LYS  20           HG1      LYS  20 -15.562  -2.384  -1.075
  110    HD2  LYS  20           HD2      LYS  20 -15.151  -4.558  -1.782
  111    HD3  LYS  20           HD1      LYS  20 -15.813  -3.854  -3.258
  112    HE2  LYS  20           HE2      LYS  20 -13.513  -3.385  -4.053
  113    HE3  LYS  20           HE1      LYS  20 -12.867  -4.132  -2.591
  114    HZ1  LYS  20           HZ1      LYS  20 -14.449  -6.069  -3.401
  115    HZ2  LYS  20           HZ2      LYS  20 -12.846  -5.926  -3.947
  116    HZ3  LYS  20           HZ3      LYS  20 -14.129  -5.370  -4.913
  117    H    LEU  21           H        LEU  21 -13.219  -0.315  -4.359
  118    HA   LEU  21           HA       LEU  21 -13.079   2.337  -5.396
  119    HB2  LEU  21           HB2      LEU  21 -12.264  -0.371  -6.344
  120    HB3  LEU  21           HB1      LEU  21 -12.365   0.908  -7.554
  121    HG   LEU  21           HG       LEU  21 -11.007   1.633  -5.021
  122   HD11  LEU  21          1HD1      LEU  21 -10.339  -0.811  -6.078
  123   HD12  LEU  21          2HD1      LEU  21  -9.257   0.218  -5.140
  124   HD13  LEU  21          3HD1      LEU  21  -9.213   0.270  -6.902
  125   HD21  LEU  21          3HD2      LEU  21 -11.152   3.218  -6.861
  126   HD22  LEU  21          1HD2      LEU  21 -10.451   2.042  -7.972
  127   HD23  LEU  21          2HD2      LEU  21  -9.472   2.720  -6.670
  128    H    ARG  22           H        ARG  22 -14.605   3.447  -6.496
  129    HA   ARG  22           HA       ARG  22 -16.970   2.065  -7.530
  130    HB2  ARG  22           HB2      ARG  22 -16.411   4.658  -6.609
  131    HB3  ARG  22           HB1      ARG  22 -16.763   4.845  -8.327
  132    HG2  ARG  22           HG2      ARG  22 -18.598   2.977  -7.055
  133    HG3  ARG  22           HG1      ARG  22 -18.644   4.562  -6.283
  134    HD2  ARG  22           HD2      ARG  22 -19.157   5.657  -8.343
  135    HD3  ARG  22           HD1      ARG  22 -18.777   4.213  -9.284
  136    HE   ARG  22           HE       ARG  22 -20.807   3.176  -8.089
  137   HH11  ARG  22          1HH1      ARG  22 -21.524   5.473  -6.377
  138   HH12  ARG  22          2HH1      ARG  22 -22.715   6.303  -7.323
  139   HH21  ARG  22          1HH2      ARG  22 -21.856   4.715 -10.282
  140   HH22  ARG  22          2HH2      ARG  22 -22.902   5.874  -9.533
  141    HA   PRO  23           HA       PRO  23 -15.200   3.590 -11.690
  142    HB2  PRO  23           HB2      PRO  23 -12.753   4.838 -11.667
  143    HB3  PRO  23           HB1      PRO  23 -14.292   5.698 -11.487
  144    HG2  PRO  23           HG2      PRO  23 -12.241   5.072  -9.419
  145    HG3  PRO  23           HG1      PRO  23 -13.435   6.380  -9.456
  146    HD2  PRO  23           HD2      PRO  23 -13.625   3.984  -7.950
  147    HD3  PRO  23           HD1      PRO  23 -14.925   5.163  -8.221
  148    H    GLY  24           H        GLY  24 -12.782   3.249 -12.943
  149    HA2  GLY  24           HA2      GLY  24 -12.099   0.465 -12.213
  150    HA3  GLY  24           HA1      GLY  24 -11.650   1.279 -13.711
  151    H    ALA  25           H        ALA  25 -11.181   2.840 -10.624
  152    HA   ALA  25           HA       ALA  25  -8.344   3.178 -11.134
  153    HB1  ALA  25           HB1      ALA  25 -10.277   3.972  -8.999
  154    HB2  ALA  25           HB2      ALA  25  -9.137   4.963  -9.909
  155    HB3  ALA  25           HB3      ALA  25  -8.564   3.954  -8.578
  156    H    GLN  26           H        GLN  26  -6.590   2.236  -9.927
  157    HA   GLN  26           HA       GLN  26  -7.048  -0.513  -9.127
  158    HB2  GLN  26           HB2      GLN  26  -4.586   1.205  -8.703
  159    HB3  GLN  26           HB1      GLN  26  -4.649  -0.550  -8.689
  160    HG2  GLN  26           HG2      GLN  26  -5.061   1.300 -11.043
  161    HG3  GLN  26           HG1      GLN  26  -3.837   0.043 -10.853
  162   HE21  GLN  26          1HE2      GLN  26  -5.501  -2.074  -9.876
  163   HE22  GLN  26          2HE2      GLN  26  -6.576  -2.523 -11.111
  164    H    CYS  27           H        CYS  27  -6.384   2.515  -7.412
  165    HA   CYS  27           HA       CYS  27  -7.425   1.253  -4.947
  166    HB2  CYS  27           HB2      CYS  27  -5.181   0.849  -4.478
  167    HB3  CYS  27           HB1      CYS  27  -4.629   2.263  -5.366
  168    H    GLY  28           H        GLY  28  -8.988   2.625  -4.283
  169    HA2  GLY  28           HA2      GLY  28  -9.144   5.359  -5.205
  170    HA3  GLY  28           HA1      GLY  28 -10.194   4.622  -3.996
  171    H    GLU  29           H        GLU  29  -8.018   3.787  -2.251
  172    HA   GLU  29           HA       GLU  29  -6.697   6.323  -1.484
  173    HB2  GLU  29           HB2      GLU  29  -8.884   6.346  -0.320
  174    HB3  GLU  29           HB1      GLU  29  -8.505   4.782   0.401
  175    HG2  GLU  29           HG2      GLU  29  -6.420   6.850   0.741
  176    HG3  GLU  29           HG1      GLU  29  -7.936   7.173   1.583
  177    H    GLY  30           H        GLY  30  -4.780   5.968  -0.328
  178    HA2  GLY  30           HA2      GLY  30  -3.961   3.813   1.192
  179    HA3  GLY  30           HA1      GLY  30  -3.686   3.267  -0.463
  180    H    LEU  31           H        LEU  31  -1.556   3.703   1.405
  181    HA   LEU  31           HA       LEU  31  -0.376   6.317   0.990
  182    HB2  LEU  31           HB2      LEU  31   0.149   4.038   2.595
  183    HB3  LEU  31           HB1      LEU  31   1.597   4.322   1.627
  184    HG   LEU  31           HG       LEU  31   1.661   6.659   2.353
  185   HD11  LEU  31          1HD1      LEU  31  -0.205   6.664   4.493
  186   HD12  LEU  31          2HD1      LEU  31  -1.069   6.086   3.067
  187   HD13  LEU  31          3HD1      LEU  31  -0.248   7.645   3.028
  188   HD21  LEU  31          3HD2      LEU  31   1.494   4.484   4.424
  189   HD22  LEU  31          1HD2      LEU  31   1.778   6.150   4.932
  190   HD23  LEU  31          2HD2      LEU  31   2.913   5.356   3.839
  191    H    CYS  32           H        CYS  32  -0.267   3.260  -0.720
  192    HA   CYS  32           HA       CYS  32   1.829   4.389  -2.524
  193    HB2  CYS  32           HB2      CYS  32   1.000   1.578  -2.918
  194    HB3  CYS  32           HB1      CYS  32   2.612   2.276  -2.879
  195    H    CYS  33           H        CYS  33  -0.805   5.384  -2.720
  196    HA   CYS  33           HA       CYS  33  -1.716   4.143  -5.287
  197    HB2  CYS  33           HB2      CYS  33  -3.407   5.733  -3.338
  198    HB3  CYS  33           HB1      CYS  33  -3.969   4.840  -4.749
  199    H    GLU  34           H        GLU  34  -0.807   5.452  -6.835
  200    HA   GLU  34           HA       GLU  34  -0.963   8.403  -6.430
  201    HB2  GLU  34           HB2      GLU  34   0.619   8.390  -8.463
  202    HB3  GLU  34           HB1      GLU  34   1.274   7.788  -6.941
  203    HG2  GLU  34           HG2      GLU  34   1.031   5.515  -7.617
  204    HG3  GLU  34           HG1      GLU  34   0.007   5.956  -8.984
  205    H    GLN  35           H        GLN  35  -2.672   9.353  -7.416
  206    HA   GLN  35           HA       GLN  35  -4.277   9.846  -9.055
  207    HB2  GLN  35           HB2      GLN  35  -2.036   8.717 -10.490
  208    HB3  GLN  35           HB1      GLN  35  -3.550   8.208 -11.240
  209    HG2  GLN  35           HG2      GLN  35  -3.655  10.237 -12.214
  210    HG3  GLN  35           HG1      GLN  35  -3.924  10.919 -10.610
  211   HE21  GLN  35          1HE2      GLN  35  -1.718  10.821 -13.248
  212   HE22  GLN  35          2HE2      GLN  35  -0.420  11.605 -12.485
  213    H    CYS  36           H        CYS  36  -4.663   7.690  -7.181
  214    HA   CYS  36           HA       CYS  36  -6.189   5.951  -6.804
  215    HB2  CYS  36           HB2      CYS  36  -7.189   7.142  -9.373
  216    HB3  CYS  36           HB1      CYS  36  -7.886   5.658  -8.758
  217    H    LYS  37           H        LYS  37  -3.618   5.436  -8.149
  218    HA   LYS  37           HA       LYS  37  -4.364   2.867  -9.454
  219    HB2  LYS  37           HB2      LYS  37  -2.010   4.575 -10.301
  220    HB3  LYS  37           HB1      LYS  37  -2.648   3.143 -11.111
  221    HG2  LYS  37           HG2      LYS  37  -4.832   4.898 -10.893
  222    HG3  LYS  37           HG1      LYS  37  -3.471   5.910 -11.382
  223    HD2  LYS  37           HD2      LYS  37  -2.974   4.072 -13.126
  224    HD3  LYS  37           HD1      LYS  37  -4.604   3.491 -12.787
  225    HE2  LYS  37           HE2      LYS  37  -5.394   5.883 -13.229
  226    HE3  LYS  37           HE1      LYS  37  -3.784   6.187 -13.883
  227    HZ1  LYS  37           HZ1      LYS  37  -4.227   5.017 -15.717
  228    HZ2  LYS  37           HZ2      LYS  37  -5.861   5.203 -15.288
  229    HZ3  LYS  37           HZ3      LYS  37  -5.026   3.782 -14.873
  230    H    PHE  38           H        PHE  38  -2.394   1.335  -9.394
  231    HA   PHE  38           HA       PHE  38  -1.351   1.335  -6.665
  232    HB2  PHE  38           HB2      PHE  38  -1.180  -0.503  -9.024
  233    HB3  PHE  38           HB1      PHE  38  -0.014  -0.689  -7.719
  234    HD1  PHE  38           HD1      PHE  38  -3.366   0.630  -7.037
  235    HD2  PHE  38           HD2      PHE  38  -0.914  -2.897  -7.094
  236    HE1  PHE  38           HE1      PHE  38  -5.055  -0.570  -5.677
  237    HE2  PHE  38           HE2      PHE  38  -2.607  -4.095  -5.735
  238    HZ   PHE  38           HZ       PHE  38  -4.678  -2.932  -5.026
  239    H    SER  39           H        SER  39   0.412   2.544  -6.133
  240    HA   SER  39           HA       SER  39   2.134   3.780  -8.038
  241    HB2  SER  39           HB2      SER  39   3.649   4.168  -6.103
  242    HB3  SER  39           HB1      SER  39   1.979   4.578  -5.718
  243    HG   SER  39           HG       SER  39   3.188   2.065  -5.180
  244    H    ARG  40           H        ARG  40   4.742   3.146  -7.454
  245    HA   ARG  40           HA       ARG  40   4.867   0.339  -8.443
  246    HB2  ARG  40           HB2      ARG  40   6.326   2.791  -9.047
  247    HB3  ARG  40           HB1      ARG  40   7.425   1.472  -8.643
  248    HG2  ARG  40           HG2      ARG  40   5.799   0.102 -10.246
  249    HG3  ARG  40           HG1      ARG  40   5.497   1.705 -10.915
  250    HD2  ARG  40           HD2      ARG  40   7.442   1.603 -12.035
  251    HD3  ARG  40           HD1      ARG  40   8.310   1.450 -10.508
  252    HE   ARG  40           HE       ARG  40   8.099  -1.004 -10.729
  253   HH11  ARG  40          1HH2      ARG  40   5.772  -0.820 -12.722
  254   HH12  ARG  40          2HH2      ARG  40   6.559  -1.314 -14.184
  255   HH21  ARG  40          1HH1      ARG  40   9.759  -0.880 -12.922
  256   HH22  ARG  40          2HH1      ARG  40   8.816  -1.349 -14.297
  257    H    ALA  41           H        ALA  41   6.920  -0.853  -7.669
  258    HA   ALA  41           HA       ALA  41   6.887  -0.962  -4.782
  259    HB1  ALA  41           HB1      ALA  41   7.540  -2.751  -6.716
  260    HB2  ALA  41           HB2      ALA  41   8.063  -2.912  -5.040
  261    HB3  ALA  41           HB3      ALA  41   9.151  -2.214  -6.240
  262    H    GLY  42           H        GLY  42   9.065  -0.877  -3.550
  263    HA2  GLY  42           HA2      GLY  42  10.955   0.373  -2.898
  264    HA3  GLY  42           HA1      GLY  42  11.139   0.853  -4.587
  265    H    LYS  43           H        LYS  43   8.040   1.316  -3.148
  266    HA   LYS  43           HA       LYS  43   8.451   4.248  -3.330
  267    HB2  LYS  43           HB2      LYS  43   6.469   3.884  -4.403
  268    HB3  LYS  43           HB1      LYS  43   6.154   2.390  -3.535
  269    HG2  LYS  43           HG2      LYS  43   4.926   3.444  -1.930
  270    HG3  LYS  43           HG1      LYS  43   5.995   4.837  -1.880
  271    HD2  LYS  43           HD2      LYS  43   4.316   4.417  -4.318
  272    HD3  LYS  43           HD1      LYS  43   3.554   5.066  -2.865
  273    HE2  LYS  43           HE2      LYS  43   5.904   6.226  -4.381
  274    HE3  LYS  43           HE1      LYS  43   4.314   6.953  -4.145
  275    HZ1  LYS  43           HZ1      LYS  43   6.524   6.653  -2.238
  276    HZ2  LYS  43           HZ2      LYS  43   4.931   6.665  -1.647
  277    HZ3  LYS  43           HZ3      LYS  43   5.523   7.992  -2.526
  278    H    ILE  44           H        ILE  44   8.937   5.358  -1.546
  279    HA   ILE  44           HA       ILE  44   9.008   4.225   1.080
  280    HB   ILE  44           HB       ILE  44   9.449   6.904  -0.140
  281   HG12  ILE  44          2HG1      ILE  44  11.252   5.262   0.203
  282   HG13  ILE  44          1HG1      ILE  44  11.524   6.700   1.190
  283   HG21  ILE  44          1HG2      ILE  44   9.686   7.926   2.150
  284   HG22  ILE  44          2HG2      ILE  44   8.861   6.515   2.813
  285   HG23  ILE  44          3HG2      ILE  44   8.016   7.589   1.697
  286   HD11  ILE  44          3HD1      ILE  44   9.884   4.871   2.668
  287   HD12  ILE  44          1HD1      ILE  44  11.504   5.448   3.058
  288   HD13  ILE  44          2HD1      ILE  44  11.296   4.002   2.069
  289    H    CYS  45           H        CYS  45   7.417   3.916   2.488
  290    HA   CYS  45           HA       CYS  45   4.898   5.489   2.151
  291    HB2  CYS  45           HB2      CYS  45   3.922   3.480   3.495
  292    HB3  CYS  45           HB1      CYS  45   4.255   3.263   1.778
  293    H    ARG  46           H        ARG  46   7.495   4.573   4.230
  294    HA   ARG  46           HA       ARG  46   6.625   6.514   6.218
  295    HB2  ARG  46           HB2      ARG  46   5.606   4.023   6.618
  296    HB3  ARG  46           HB1      ARG  46   7.140   3.883   7.478
  297    HG2  ARG  46           HG2      ARG  46   6.519   6.144   8.565
  298    HG3  ARG  46           HG1      ARG  46   4.888   5.827   7.974
  299    HD2  ARG  46           HD2      ARG  46   5.701   3.414   9.146
  300    HD3  ARG  46           HD1      ARG  46   6.270   4.665  10.252
  301    HE   ARG  46           HE       ARG  46   3.841   5.535  10.137
  302   HH11  ARG  46          1HH1      ARG  46   2.742   3.530   8.276
  303   HH12  ARG  46          2HH1      ARG  46   2.107   2.318   9.338
  304   HH21  ARG  46          1HH2      ARG  46   3.894   3.422  12.097
  305   HH22  ARG  46          2HH2      ARG  46   2.759   2.258  11.501
  306    H    ILE  47           H        ILE  47   8.323   6.900   7.834
  307    HA   ILE  47           HA       ILE  47  10.989   6.389   6.693
  308    HB   ILE  47           HB       ILE  47  10.430   8.642   7.522
  309   HG12  ILE  47          2HG1      ILE  47  12.341   8.683   9.358
  310   HG13  ILE  47          1HG1      ILE  47  12.586   7.018   8.833
  311   HG21  ILE  47          1HG2      ILE  47  10.558   8.296  10.321
  312   HG22  ILE  47          2HG2      ILE  47   9.400   7.100   9.739
  313   HG23  ILE  47          3HG2      ILE  47   9.162   8.809   9.374
  314   HD11  ILE  47          3HD1      ILE  47  12.856   7.760   6.514
  315   HD12  ILE  47          1HD1      ILE  47  13.999   8.612   7.553
  316   HD13  ILE  47          2HD1      ILE  47  12.539   9.428   6.993
  317    H    ALA  48           H        ALA  48  12.636   5.231   7.762
  318    HA   ALA  48           HA       ALA  48  11.841   2.982   9.328
  319    HB1  ALA  48           HB1      ALA  48  14.207   2.532   9.580
  320    HB2  ALA  48           HB2      ALA  48  14.612   4.206   9.202
  321    HB3  ALA  48           HB3      ALA  48  13.947   3.155   7.952
  322    H    ARG  49           H        ARG  49  13.204   2.641  11.541
  323    HA   ARG  49           HA       ARG  49  13.316   5.020  13.233
  324    HB2  ARG  49           HB2      ARG  49  10.814   3.964  12.967
  325    HB3  ARG  49           HB1      ARG  49  11.420   3.034  14.339
  326    HG2  ARG  49           HG2      ARG  49  12.255   5.610  14.923
  327    HG3  ARG  49           HG1      ARG  49  10.669   5.863  14.194
  328    HD2  ARG  49           HD2      ARG  49   9.601   4.997  15.985
  329    HD3  ARG  49           HD1      ARG  49  10.681   3.606  16.048
  330    HE   ARG  49           HE       ARG  49  12.309   5.384  17.142
  331   HH11  ARG  49          1HH1      ARG  49   9.776   7.196  17.251
  332   HH12  ARG  49          2HH1      ARG  49   9.337   6.995  18.913
  333   HH21  ARG  49          1HH2      ARG  49  11.368   4.226  19.392
  334   HH22  ARG  49          2HH2      ARG  49  10.238   5.314  20.126
  335    H    GLY  50           H        GLY  50  15.501   4.031  13.348
  336    HA2  GLY  50           HA2      GLY  50  16.355   2.927  15.602
  337    HA3  GLY  50           HA1      GLY  50  15.644   1.491  14.878
  338    H    ASP  51           H        ASP  51  16.354   1.937  12.201
  339    HA   ASP  51           HA       ASP  51  18.935   2.708  11.567
  340    HB2  ASP  51           HB2      ASP  51  18.973   0.492  13.397
  341    HB3  ASP  51           HB1      ASP  51  19.655  -0.012  11.850
  342    H    TRP  52           H        TRP  52  17.019  -0.271  11.320
  343    HA   TRP  52           HA       TRP  52  17.727  -1.146   8.792
  344    HB2  TRP  52           HB2      TRP  52  15.216  -1.767   8.546
  345    HB3  TRP  52           HB1      TRP  52  16.118  -2.466   9.890
  346    HD1  TRP  52           HD       TRP  52  13.477   0.170   9.091
  347    HE1  TRP  52           HE1      TRP  52  12.293   0.849  11.279
  348    HE3  TRP  52           HE3      TRP  52  16.388  -2.311  12.475
  349    HZ2  TRP  52           HZ2      TRP  52  12.547   0.397  14.093
  350    HZ3  TRP  52           HZ3      TRP  52  15.898  -2.168  14.899
  351    HH2  TRP  52           HH       TRP  52  13.983  -0.819  15.713
  352    H    ASN  53           H        ASN  53  17.075  -0.654   6.650
  353    HA   ASN  53           HA       ASN  53  16.888   2.040   5.913
  354    HB2  ASN  53           HB2      ASN  53  17.121  -0.272   4.528
  355    HB3  ASN  53           HB1      ASN  53  15.439   0.119   4.171
  356   HD21  ASN  53          1HD2      ASN  53  15.232   1.385   2.328
  357   HD22  ASN  53          2HD2      ASN  53  16.371   2.523   1.788
  358    H    ASP  54           H        ASP  54  14.795   2.721   4.446
  359    HA   ASP  54           HA       ASP  54  12.626   2.956   6.418
  360    HB2  ASP  54           HB2      ASP  54  12.800   4.076   3.604
  361    HB3  ASP  54           HB1      ASP  54  11.669   4.572   4.864
  362    H    ASP  55           H        ASP  55  10.300   2.826   5.325
  363    HA   ASP  55           HA       ASP  55  10.043   0.060   4.368
  364    HB2  ASP  55           HB2      ASP  55   8.054   2.205   5.138
  365    HB3  ASP  55           HB1      ASP  55   7.551   0.659   4.452
  366    H    ARG  56           H        ARG  56   9.125  -0.525   2.344
  367    HA   ARG  56           HA       ARG  56   8.802   1.684   0.359
  368    HB2  ARG  56           HB2      ARG  56  10.293  -0.903  -0.157
  369    HB3  ARG  56           HB1      ARG  56  10.088   0.442  -1.279
  370    HG2  ARG  56           HG2      ARG  56  11.275   1.083   1.375
  371    HG3  ARG  56           HG1      ARG  56  12.286   0.176   0.249
  372    HD2  ARG  56           HD2      ARG  56  11.934   1.888  -1.477
  373    HD3  ARG  56           HD1      ARG  56  10.880   2.787  -0.387
  374    HE   ARG  56           HE       ARG  56  13.345   2.441   0.951
  375   HH11  ARG  56          1HH1      ARG  56  12.113   3.875  -1.938
  376   HH12  ARG  56          2HH1      ARG  56  13.254   5.177  -1.933
  377   HH21  ARG  56          1HH2      ARG  56  14.812   4.157   0.992
  378   HH22  ARG  56          2HH2      ARG  56  14.781   5.337  -0.276
  379    H    CYS  57           H        CYS  57   6.868   1.496  -0.639
  380    HA   CYS  57           HA       CYS  57   5.078  -0.667  -0.189
  381    HB2  CYS  57           HB2      CYS  57   5.159   1.458  -2.337
  382    HB3  CYS  57           HB1      CYS  57   3.844   0.296  -2.197
  383    H    THR  58           H        THR  58   4.419  -2.367  -1.611
  384    HA   THR  58           HA       THR  58   6.606  -3.590  -3.047
  385    HB   THR  58           HB       THR  58   5.127  -5.078  -1.936
  386    HG1  THR  58           HG1      THR  58   4.340  -5.142  -4.654
  387   HG21  THR  58          3HG2      THR  58   3.150  -3.169  -2.792
  388   HG22  THR  58          1HG2      THR  58   3.004  -4.440  -1.579
  389   HG23  THR  58          2HG2      THR  58   2.651  -4.791  -3.271
  390    H    GLY  59           H        GLY  59   4.178  -1.365  -3.981
  391    HA2  GLY  59           HA2      GLY  59   4.054  -0.327  -6.137
  392    HA3  GLY  59           HA1      GLY  59   5.064  -1.620  -6.786
  393    H    GLN  60           H        GLN  60   3.141  -3.482  -5.202
  394    HA   GLN  60           HA       GLN  60   0.975  -3.508  -7.253
  395    HB2  GLN  60           HB2      GLN  60   2.205  -5.859  -5.772
  396    HB3  GLN  60           HB1      GLN  60   0.931  -5.953  -6.990
  397    HG2  GLN  60           HG2      GLN  60   3.470  -4.550  -7.719
  398    HG3  GLN  60           HG1      GLN  60   3.486  -6.312  -7.648
  399   HE21  GLN  60          1HE2      GLN  60   1.585  -3.609  -9.085
  400   HE22  GLN  60          2HE2      GLN  60   1.130  -4.472 -10.475
  401    H    SER  61           H        SER  61   1.617  -2.754  -4.128
  402    HA   SER  61           HA       SER  61  -1.113  -3.625  -3.254
  403    HB2  SER  61           HB2      SER  61   0.660  -4.884  -2.052
  404    HB3  SER  61           HB1      SER  61   1.363  -3.362  -1.517
  405    HG   SER  61           HG       SER  61  -1.212  -4.406  -0.933
  406    H    ALA  62           H        ALA  62  -2.374  -1.844  -3.009
  407    HA   ALA  62           HA       ALA  62  -1.416   0.828  -3.055
  408    HB1  ALA  62           HB1      ALA  62  -3.786   1.056  -1.697
  409    HB2  ALA  62           HB2      ALA  62  -3.986  -0.509  -2.486
  410    HB3  ALA  62           HB3      ALA  62  -3.653   0.928  -3.449
  411    H    ASP  63           H        ASP  63  -2.332  -1.245  -0.296
  412    HA   ASP  63           HA       ASP  63  -1.552   0.810   1.638
  413    HB2  ASP  63           HB2      ASP  63  -3.288  -0.696   2.328
  414    HB3  ASP  63           HB1      ASP  63  -2.316  -2.108   1.918
  415    H    CYS  64           H        CYS  64   0.481   1.082   2.446
  416    HA   CYS  64           HA       CYS  64   2.695  -0.304   1.332
  417    HB2  CYS  64           HB2      CYS  64   3.082   1.863   2.265
  418    HB3  CYS  64           HB1      CYS  64   2.434   1.384   3.829
  419    HA   PRO  65           HA       PRO  65   2.484  -4.015   3.654
  420    HB2  PRO  65           HB2      PRO  65   4.785  -5.059   2.606
  421    HB3  PRO  65           HB1      PRO  65   3.247  -5.059   1.744
  422    HG2  PRO  65           HG2      PRO  65   5.672  -3.400   1.294
  423    HG3  PRO  65           HG1      PRO  65   4.384  -3.837   0.158
  424    HD2  PRO  65           HD2      PRO  65   4.675  -1.352   1.485
  425    HD3  PRO  65           HD1      PRO  65   3.251  -1.904   0.577
  426    H    ARG  66           H        ARG  66   4.632  -5.395   4.638
  427    HA   ARG  66           HA       ARG  66   5.840  -3.448   6.549
  428    HB2  ARG  66           HB2      ARG  66   6.216  -5.427   7.993
  429    HB3  ARG  66           HB1      ARG  66   4.512  -5.254   7.570
  430    HG2  ARG  66           HG2      ARG  66   4.576  -7.368   6.797
  431    HG3  ARG  66           HG1      ARG  66   5.619  -6.788   5.497
  432    HD2  ARG  66           HD2      ARG  66   7.606  -7.245   6.802
  433    HD3  ARG  66           HD1      ARG  66   6.636  -7.647   8.219
  434    HE   ARG  66           HE       ARG  66   6.166  -9.287   5.808
  435   HH11  ARG  66          1HH1      ARG  66   8.793  -9.144   7.764
  436   HH12  ARG  66          2HH1      ARG  66   8.593 -10.697   8.505
  437   HH21  ARG  66          1HH2      ARG  66   5.404 -11.185   7.240
  438   HH22  ARG  66          2HH2      ARG  66   6.675 -11.852   8.208
  439    H    ASN  67           H        ASN  67   7.848  -2.845   5.861
  440    HA   ASN  67           HA       ASN  67   9.512  -4.781   4.362
  441    HB2  ASN  67           HB2      ASN  67   9.293  -1.894   4.514
  442    HB3  ASN  67           HB1      ASN  67  10.962  -2.404   4.772
  443   HD21  ASN  67          1HD2      ASN  67   8.210  -3.212   2.569
  444   HD22  ASN  67          2HD2      ASN  67   9.182  -3.381   1.186
  445    H    GLY  68           H        GLY  68   9.428  -3.091   7.463
  446    HA2  GLY  68           HA2      GLY  68  12.087  -3.991   8.252
  447    HA3  GLY  68           HA1      GLY  68  10.901  -3.221   9.305
  448    H    LEU  69           H        LEU  69  10.604  -4.613  10.988
  449    HA   LEU  69           HA       LEU  69   9.968  -7.447  10.298
  450    HB2  LEU  69           HB2      LEU  69  10.865  -7.715  12.844
  451    HB3  LEU  69           HB1      LEU  69  11.880  -7.950  11.428
  452    HG   LEU  69           HG       LEU  69  12.916  -6.481  13.165
  453   HD11  LEU  69          1HD1      LEU  69  12.809  -4.443  11.204
  454   HD12  LEU  69          2HD1      LEU  69  12.641  -5.975  10.348
  455   HD13  LEU  69          3HD1      LEU  69  14.036  -5.696  11.391
  456   HD21  LEU  69          3HD2      LEU  69  11.751  -4.814  14.117
  457   HD22  LEU  69          1HD2      LEU  69  10.346  -5.289  13.167
  458   HD23  LEU  69          2HD2      LEU  69  11.461  -4.076  12.543
  459    H    TYR  70           H        TYR  70   8.730  -4.627  11.450
  460    HA   TYR  70           HA       TYR  70   6.767  -6.084  13.174
  461    HB2  TYR  70           HB2      TYR  70   6.413  -3.708  14.173
  462    HB3  TYR  70           HB1      TYR  70   7.845  -4.613  14.664
  463    HD1  TYR  70           HD2      TYR  70   6.751  -2.287  11.923
  464    HD2  TYR  70           HD1      TYR  70   9.902  -3.531  14.564
  465    HE1  TYR  70           HE2      TYR  70   8.202  -0.478  11.043
  466    HE2  TYR  70           HE1      TYR  70  11.353  -1.721  13.685
  467    HH   TYR  70           HH       TYR  70  10.139   0.810  11.710
  468    H    GLY  71           H        GLY  71   4.554  -5.119  13.101
  469    HA2  GLY  71           HA2      GLY  71   3.970  -3.382  10.792
  470    HA3  GLY  71           HA1      GLY  71   3.319  -5.019  10.697
  Start of MODEL   20
    1    H    GLY   1           HT1      GLY   1 -10.973  -9.183   4.393
    2    HA2  GLY   1           HA1      GLY   1 -12.066 -10.695   2.231
    3    HA3  GLY   1           HA2      GLY   1 -12.790  -9.379   3.155
    4    H    LYS   2           H        LYS   2 -13.445  -9.154   0.639
    5    HA   LYS   2           HA       LYS   2 -11.785  -6.912  -0.352
    6    HB2  LYS   2           HB2      LYS   2 -12.048  -9.555  -1.668
    7    HB3  LYS   2           HB1      LYS   2 -12.289  -8.160  -2.720
    8    HG2  LYS   2           HG2      LYS   2 -10.127  -7.338  -2.339
    9    HG3  LYS   2           HG1      LYS   2  -9.943  -8.244  -0.837
   10    HD2  LYS   2           HD2      LYS   2  -9.919 -10.360  -2.143
   11    HD3  LYS   2           HD1      LYS   2 -10.022  -9.419  -3.633
   12    HE2  LYS   2           HE2      LYS   2  -7.911  -8.259  -3.013
   13    HE3  LYS   2           HE1      LYS   2  -7.791  -9.285  -1.584
   14    HZ1  LYS   2           HZ1      LYS   2  -6.928 -10.897  -2.806
   15    HZ2  LYS   2           HZ2      LYS   2  -6.913  -9.855  -4.149
   16    HZ3  LYS   2           HZ3      LYS   2  -8.247 -10.871  -3.872
   17    H    GLU   3           H        GLU   3 -14.106  -6.362   0.764
   18    HA   GLU   3           HA       GLU   3 -16.024  -6.096  -1.516
   19    HB2  GLU   3           HB2      GLU   3 -16.458  -6.853   1.343
   20    HB3  GLU   3           HB1      GLU   3 -17.703  -5.893   0.542
   21    HG2  GLU   3           HG2      GLU   3 -18.189  -7.561  -1.005
   22    HG3  GLU   3           HG1      GLU   3 -16.595  -8.300  -0.862
   23    H    CYS   4           H        CYS   4 -14.241  -4.520   0.974
   24    HA   CYS   4           HA       CYS   4 -15.540  -1.932   0.207
   25    HB2  CYS   4           HB2      CYS   4 -14.695  -2.892   2.955
   26    HB3  CYS   4           HB1      CYS   4 -15.041  -1.204   2.597
   27    H    ASP   5           H        ASP   5 -13.899  -1.282  -1.186
   28    HA   ASP   5           HA       ASP   5 -11.080  -1.573  -0.527
   29    HB2  ASP   5           HB2      ASP   5 -11.807  -1.519  -2.869
   30    HB3  ASP   5           HB1      ASP   5 -12.477   0.097  -2.646
   31    H    CYS   6           H        CYS   6 -13.537   0.832   0.058
   32    HA   CYS   6           HA       CYS   6 -11.422   2.625   1.186
   33    HB2  CYS   6           HB2      CYS   6 -14.027   3.271  -0.197
   34    HB3  CYS   6           HB1      CYS   6 -13.219   4.441   0.845
   35    H    SER   7           H        SER   7 -12.297   3.986   3.045
   36    HA   SER   7           HA       SER   7 -14.105   2.285   4.710
   37    HB2  SER   7           HB2      SER   7 -11.866   4.177   5.456
   38    HB3  SER   7           HB1      SER   7 -13.013   3.553   6.638
   39    HG   SER   7           HG       SER   7 -10.993   2.327   6.293
   40    H    SER   8           H        SER   8 -14.771   4.522   2.737
   41    HA   SER   8           HA       SER   8 -16.563   5.974   4.598
   42    HB2  SER   8           HB2      SER   8 -14.546   7.251   2.755
   43    HB3  SER   8           HB1      SER   8 -16.007   8.106   3.241
   44    HG   SER   8           HG       SER   8 -14.111   8.414   4.612
   45    HA   PRO   9           HA       PRO   9 -19.258   5.096   1.190
   46    HB2  PRO   9           HB2      PRO   9 -21.454   6.410   2.193
   47    HB3  PRO   9           HB1      PRO   9 -20.921   4.819   2.765
   48    HG2  PRO   9           HG2      PRO   9 -20.661   7.474   4.096
   49    HG3  PRO   9           HG1      PRO   9 -20.738   5.858   4.819
   50    HD2  PRO   9           HD2      PRO   9 -18.391   7.404   4.443
   51    HD3  PRO   9           HD1      PRO   9 -18.453   5.679   4.866
   52    H    GLU  10           H        GLU  10 -18.297   8.247   2.229
   53    HA   GLU  10           HA       GLU  10 -19.639   9.556  -0.078
   54    HB2  GLU  10           HB2      GLU  10 -19.432  10.471   2.415
   55    HB3  GLU  10           HB1      GLU  10 -17.878  11.055   1.820
   56    HG2  GLU  10           HG2      GLU  10 -19.672  11.689  -0.223
   57    HG3  GLU  10           HG1      GLU  10 -20.559  12.052   1.258
   58    H    ASN  11           H        ASN  11 -17.124   7.709  -0.017
   59    HA   ASN  11           HA       ASN  11 -14.994   9.467  -0.951
   60    HB2  ASN  11           HB2      ASN  11 -14.590   7.261   0.188
   61    HB3  ASN  11           HB1      ASN  11 -15.227   6.459  -1.249
   62   HD21  ASN  11          1HD2      ASN  11 -12.341   7.009   0.096
   63   HD22  ASN  11          2HD2      ASN  11 -11.389   7.311  -1.277
   64    HA   PRO  12           HA       PRO  12 -16.521   9.596  -5.114
   65    HB2  PRO  12           HB2      PRO  12 -14.346  10.890  -6.186
   66    HB3  PRO  12           HB1      PRO  12 -15.604  11.708  -5.241
   67    HG2  PRO  12           HG2      PRO  12 -12.824  10.980  -4.437
   68    HG3  PRO  12           HG1      PRO  12 -13.860  12.286  -3.839
   69    HD2  PRO  12           HD2      PRO  12 -13.373   9.829  -2.523
   70    HD3  PRO  12           HD1      PRO  12 -14.654  10.993  -2.121
   71    H    CYS  13           H        CYS  13 -13.258   8.423  -4.345
   72    HA   CYS  13           HA       CYS  13 -12.936   7.098  -6.927
   73    HB2  CYS  13           HB2      CYS  13 -11.140   7.944  -5.114
   74    HB3  CYS  13           HB1      CYS  13 -11.293   6.269  -4.582
   75    H    CYS  14           H        CYS  14 -14.544   6.344  -4.004
   76    HA   CYS  14           HA       CYS  14 -14.640   3.469  -4.833
   77    HB2  CYS  14           HB2      CYS  14 -14.554   4.728  -2.093
   78    HB3  CYS  14           HB1      CYS  14 -15.179   3.096  -2.336
   79    H    ASP  15           H        ASP  15 -16.673   2.379  -4.301
   80    HA   ASP  15           HA       ASP  15 -19.000   4.198  -4.646
   81    HB2  ASP  15           HB2      ASP  15 -18.450   2.079  -6.108
   82    HB3  ASP  15           HB1      ASP  15 -19.131   1.196  -4.737
   83    H    ALA  16           H        ALA  16 -20.324   4.558  -2.908
   84    HA   ALA  16           HA       ALA  16 -19.796   3.468  -0.324
   85    HB1  ALA  16           HB1      ALA  16 -21.204   5.135   0.225
   86    HB2  ALA  16           HB2      ALA  16 -22.543   4.230  -0.479
   87    HB3  ALA  16           HB3      ALA  16 -21.617   5.354  -1.475
   88    H    ALA  17           H        ALA  17 -22.015   2.482  -2.899
   89    HA   ALA  17           HA       ALA  17 -23.560   0.593  -1.464
   90    HB1  ALA  17           HB1      ALA  17 -22.924  -0.412  -4.096
   91    HB2  ALA  17           HB2      ALA  17 -23.200   1.329  -4.173
   92    HB3  ALA  17           HB3      ALA  17 -24.443   0.267  -3.511
   93    H    THR  18           H        THR  18 -20.841  -0.274  -3.628
   94    HA   THR  18           HA       THR  18 -20.395  -2.687  -1.964
   95    HB   THR  18           HB       THR  18 -20.488  -3.094  -4.347
   96    HG1  THR  18           HG1      THR  18 -18.951  -4.356  -3.481
   97   HG21  THR  18          3HG2      THR  18 -20.044  -1.081  -5.425
   98   HG22  THR  18          1HG2      THR  18 -18.535  -1.951  -5.703
   99   HG23  THR  18          2HG2      THR  18 -18.632  -0.740  -4.424
  100    H    CYS  19           H        CYS  19 -19.557   0.253  -1.391
  101    HA   CYS  19           HA       CYS  19 -17.602   1.426  -0.723
  102    HB2  CYS  19           HB2      CYS  19 -16.279  -0.128   0.947
  103    HB3  CYS  19           HB1      CYS  19 -17.870   0.470   1.364
  104    H    LYS  20           H        LYS  20 -17.200   0.097  -3.278
  105    HA   LYS  20           HA       LYS  20 -14.271  -0.457  -2.968
  106    HB2  LYS  20           HB2      LYS  20 -16.248  -1.860  -4.780
  107    HB3  LYS  20           HB1      LYS  20 -14.498  -2.001  -4.950
  108    HG2  LYS  20           HG2      LYS  20 -14.906  -2.479  -2.248
  109    HG3  LYS  20           HG1      LYS  20 -16.282  -3.276  -3.013
  110    HD2  LYS  20           HD2      LYS  20 -14.375  -4.820  -2.851
  111    HD3  LYS  20           HD1      LYS  20 -14.746  -4.466  -4.537
  112    HE2  LYS  20           HE2      LYS  20 -12.518  -4.021  -4.683
  113    HE3  LYS  20           HE1      LYS  20 -12.974  -2.470  -3.977
  114    HZ1  LYS  20           HZ1      LYS  20 -12.164  -4.868  -2.425
  115    HZ2  LYS  20           HZ2      LYS  20 -12.509  -3.328  -1.796
  116    HZ3  LYS  20           HZ3      LYS  20 -11.146  -3.559  -2.784
  117    H    LEU  21           H        LEU  21 -13.113  -0.157  -5.156
  118    HA   LEU  21           HA       LEU  21 -13.503   2.515  -6.047
  119    HB2  LEU  21           HB2      LEU  21 -12.046   0.209  -7.367
  120    HB3  LEU  21           HB1      LEU  21 -11.925   1.890  -7.887
  121    HG   LEU  21           HG       LEU  21 -11.515   1.638  -5.019
  122   HD11  LEU  21          1HD1      LEU  21 -10.663  -0.612  -5.841
  123   HD12  LEU  21          2HD1      LEU  21  -9.468   0.391  -5.020
  124   HD13  LEU  21          3HD1      LEU  21  -9.463   0.278  -6.780
  125   HD21  LEU  21          3HD2      LEU  21 -10.799   3.332  -7.067
  126   HD22  LEU  21          1HD2      LEU  21  -9.291   2.468  -6.764
  127   HD23  LEU  21          2HD2      LEU  21 -10.081   3.348  -5.456
  128    H    ARG  22           H        ARG  22 -15.016   3.321  -7.405
  129    HA   ARG  22           HA       ARG  22 -16.760   1.487  -8.885
  130    HB2  ARG  22           HB2      ARG  22 -17.455   3.675  -7.668
  131    HB3  ARG  22           HB1      ARG  22 -16.855   4.487  -9.112
  132    HG2  ARG  22           HG2      ARG  22 -18.635   2.159  -9.576
  133    HG3  ARG  22           HG1      ARG  22 -19.395   3.595  -8.890
  134    HD2  ARG  22           HD2      ARG  22 -18.620   4.968 -10.718
  135    HD3  ARG  22           HD1      ARG  22 -17.623   3.656 -11.347
  136    HE   ARG  22           HE       ARG  22 -20.591   3.356 -11.232
  137   HH11  ARG  22          1HH1      ARG  22 -18.097   4.390 -13.238
  138   HH12  ARG  22          2HH1      ARG  22 -18.509   3.362 -14.568
  139   HH21  ARG  22          1HH2      ARG  22 -20.915   1.596 -12.803
  140   HH22  ARG  22          2HH2      ARG  22 -20.104   1.779 -14.323
  141    HA   PRO  23           HA       PRO  23 -14.710   3.734 -12.569
  142    HB2  PRO  23           HB2      PRO  23 -12.456   5.219 -12.057
  143    HB3  PRO  23           HB1      PRO  23 -14.096   5.890 -12.037
  144    HG2  PRO  23           HG2      PRO  23 -12.300   5.264  -9.746
  145    HG3  PRO  23           HG1      PRO  23 -13.629   6.431  -9.845
  146    HD2  PRO  23           HD2      PRO  23 -13.723   3.874  -8.619
  147    HD3  PRO  23           HD1      PRO  23 -15.108   4.931  -8.957
  148    H    GLY  24           H        GLY  24 -12.000   3.877 -13.322
  149    HA2  GLY  24           HA2      GLY  24 -11.193   1.063 -12.936
  150    HA3  GLY  24           HA1      GLY  24 -10.499   2.186 -14.105
  151    H    ALA  25           H        ALA  25 -10.945   2.930 -10.686
  152    HA   ALA  25           HA       ALA  25  -8.061   3.478 -10.470
  153    HB1  ALA  25           HB1      ALA  25 -10.501   4.098  -8.863
  154    HB2  ALA  25           HB2      ALA  25  -9.189   5.162  -9.368
  155    HB3  ALA  25           HB3      ALA  25  -8.953   4.051  -8.018
  156    H    GLN  26           H        GLN  26  -6.619   2.155  -9.420
  157    HA   GLN  26           HA       GLN  26  -7.555  -0.476  -8.537
  158    HB2  GLN  26           HB2      GLN  26  -5.076   0.695  -9.408
  159    HB3  GLN  26           HB1      GLN  26  -4.826  -0.102  -7.855
  160    HG2  GLN  26           HG2      GLN  26  -5.243  -2.183  -8.699
  161    HG3  GLN  26           HG1      GLN  26  -6.477  -1.591  -9.812
  162   HE21  GLN  26          1HE2      GLN  26  -4.977   0.365 -11.236
  163   HE22  GLN  26          2HE2      GLN  26  -3.741  -0.414 -12.099
  164    H    CYS  27           H        CYS  27  -7.446   2.486  -7.048
  165    HA   CYS  27           HA       CYS  27  -7.825   1.356  -4.416
  166    HB2  CYS  27           HB2      CYS  27  -5.807   2.358  -3.373
  167    HB3  CYS  27           HB1      CYS  27  -5.404   1.088  -4.529
  168    H    GLY  28           H        GLY  28  -8.636   2.921  -2.964
  169    HA2  GLY  28           HA2      GLY  28  -9.263   5.537  -4.227
  170    HA3  GLY  28           HA1      GLY  28 -10.139   4.828  -2.873
  171    H    GLU  29           H        GLU  29  -7.787   4.082  -1.381
  172    HA   GLU  29           HA       GLU  29  -6.382   6.637  -0.906
  173    HB2  GLU  29           HB2      GLU  29  -7.077   6.848   1.347
  174    HB3  GLU  29           HB1      GLU  29  -8.555   6.538   0.450
  175    HG2  GLU  29           HG2      GLU  29  -8.838   4.968   2.104
  176    HG3  GLU  29           HG1      GLU  29  -7.874   3.999   0.987
  177    H    GLY  30           H        GLY  30  -4.607   6.304   0.762
  178    HA2  GLY  30           HA2      GLY  30  -3.583   4.212   2.021
  179    HA3  GLY  30           HA1      GLY  30  -3.450   3.593   0.375
  180    H    LEU  31           H        LEU  31  -1.211   4.089   2.105
  181    HA   LEU  31           HA       LEU  31   0.047   6.613   1.519
  182    HB2  LEU  31           HB2      LEU  31   1.107   3.928   2.421
  183    HB3  LEU  31           HB1      LEU  31   2.173   5.301   2.130
  184    HG   LEU  31           HG       LEU  31   0.262   6.472   3.663
  185   HD11  LEU  31          1HD1      LEU  31  -0.381   5.001   5.456
  186   HD12  LEU  31          2HD1      LEU  31   0.636   3.704   4.826
  187   HD13  LEU  31          3HD1      LEU  31  -0.812   4.196   3.947
  188   HD21  LEU  31          3HD2      LEU  31   2.199   5.213   5.394
  189   HD22  LEU  31          1HD2      LEU  31   2.120   6.894   4.866
  190   HD23  LEU  31          2HD2      LEU  31   2.971   5.702   3.885
  191    H    CYS  32           H        CYS  32   0.091   3.442  -0.054
  192    HA   CYS  32           HA       CYS  32   1.998   4.423  -2.085
  193    HB2  CYS  32           HB2      CYS  32   2.128   2.095  -1.139
  194    HB3  CYS  32           HB1      CYS  32   0.594   1.743  -1.932
  195    H    CYS  33           H        CYS  33  -1.388   4.319  -1.635
  196    HA   CYS  33           HA       CYS  33  -2.137   3.925  -4.401
  197    HB2  CYS  33           HB2      CYS  33  -3.754   3.571  -2.574
  198    HB3  CYS  33           HB1      CYS  33  -3.681   5.283  -2.169
  199    H    GLU  34           H        GLU  34  -1.117   5.317  -5.805
  200    HA   GLU  34           HA       GLU  34  -1.310   8.242  -5.237
  201    HB2  GLU  34           HB2      GLU  34   0.966   7.592  -5.650
  202    HB3  GLU  34           HB1      GLU  34   0.502   6.634  -7.056
  203    HG2  GLU  34           HG2      GLU  34   0.734   8.436  -8.377
  204    HG3  GLU  34           HG1      GLU  34  -0.479   9.296  -7.427
  205    H    GLN  35           H        GLN  35  -2.827   9.345  -6.389
  206    HA   GLN  35           HA       GLN  35  -4.386   9.844  -8.073
  207    HB2  GLN  35           HB2      GLN  35  -2.180   9.471  -9.439
  208    HB3  GLN  35           HB1      GLN  35  -2.934   7.946  -9.906
  209    HG2  GLN  35           HG2      GLN  35  -3.995   9.118 -11.518
  210    HG3  GLN  35           HG1      GLN  35  -4.976   9.806 -10.224
  211   HE21  GLN  35          1HE2      GLN  35  -4.734  11.556 -12.230
  212   HE22  GLN  35          2HE2      GLN  35  -3.552  12.737 -11.934
  213    H    CYS  36           H        CYS  36  -4.862   7.676  -6.249
  214    HA   CYS  36           HA       CYS  36  -6.367   5.907  -5.954
  215    HB2  CYS  36           HB2      CYS  36  -7.320   7.187  -8.491
  216    HB3  CYS  36           HB1      CYS  36  -7.970   5.625  -8.032
  217    H    LYS  37           H        LYS  37  -3.733   5.491  -7.257
  218    HA   LYS  37           HA       LYS  37  -4.395   2.911  -8.602
  219    HB2  LYS  37           HB2      LYS  37  -3.474   5.056 -10.006
  220    HB3  LYS  37           HB1      LYS  37  -1.952   4.302  -9.532
  221    HG2  LYS  37           HG2      LYS  37  -2.276   2.512 -10.892
  222    HG3  LYS  37           HG1      LYS  37  -3.988   2.397 -10.481
  223    HD2  LYS  37           HD2      LYS  37  -4.386   4.424 -11.936
  224    HD3  LYS  37           HD1      LYS  37  -2.708   4.295 -12.465
  225    HE2  LYS  37           HE2      LYS  37  -3.210   1.908 -13.147
  226    HE3  LYS  37           HE1      LYS  37  -4.912   2.251 -12.834
  227    HZ1  LYS  37           HZ1      LYS  37  -3.146   3.614 -14.790
  228    HZ2  LYS  37           HZ2      LYS  37  -4.717   4.135 -14.405
  229    HZ3  LYS  37           HZ3      LYS  37  -4.475   2.618 -15.134
  230    H    PHE  38           H        PHE  38  -2.696   1.295  -8.385
  231    HA   PHE  38           HA       PHE  38  -1.330   1.457  -5.808
  232    HB2  PHE  38           HB2      PHE  38  -1.443  -0.624  -7.997
  233    HB3  PHE  38           HB1      PHE  38  -0.407  -0.812  -6.585
  234    HD1  PHE  38           HD1      PHE  38  -2.134   0.428  -4.478
  235    HD2  PHE  38           HD2      PHE  38  -3.094  -2.271  -7.677
  236    HE1  PHE  38           HE1      PHE  38  -4.063  -0.432  -3.176
  237    HE2  PHE  38           HE2      PHE  38  -5.023  -3.129  -6.378
  238    HZ   PHE  38           HZ       PHE  38  -5.509  -2.209  -4.126
  239    H    SER  39           H        SER  39   0.564   2.629  -5.683
  240    HA   SER  39           HA       SER  39   2.174   3.308  -7.942
  241    HB2  SER  39           HB2      SER  39   2.209   3.882  -5.178
  242    HB3  SER  39           HB1      SER  39   3.757   3.115  -5.520
  243    HG   SER  39           HG       SER  39   3.829   4.621  -7.370
  244    H    ARG  40           H        ARG  40   4.725   2.550  -7.669
  245    HA   ARG  40           HA       ARG  40   4.587  -0.357  -8.164
  246    HB2  ARG  40           HB2      ARG  40   6.510   1.838  -8.748
  247    HB3  ARG  40           HB1      ARG  40   7.201   0.233  -8.508
  248    HG2  ARG  40           HG2      ARG  40   6.527  -0.395 -10.558
  249    HG3  ARG  40           HG1      ARG  40   4.857  -0.003 -10.149
  250    HD2  ARG  40           HD2      ARG  40   5.815   2.494 -10.519
  251    HD3  ARG  40           HD1      ARG  40   6.876   1.611 -11.617
  252    HE   ARG  40           HE       ARG  40   4.194   0.761 -12.077
  253   HH11  ARG  40          1HH2      ARG  40   5.802   3.780 -12.022
  254   HH12  ARG  40          2HH2      ARG  40   5.173   4.307 -13.548
  255   HH21  ARG  40          1HH1      ARG  40   3.567   1.309 -14.221
  256   HH22  ARG  40          2HH1      ARG  40   3.908   2.908 -14.791
  257    H    ALA  41           H        ALA  41   6.164  -1.810  -7.093
  258    HA   ALA  41           HA       ALA  41   6.212  -1.429  -4.231
  259    HB1  ALA  41           HB1      ALA  41   6.250  -3.652  -5.614
  260    HB2  ALA  41           HB2      ALA  41   7.187  -3.571  -4.124
  261    HB3  ALA  41           HB3      ALA  41   7.990  -3.384  -5.683
  262    H    GLY  42           H        GLY  42   8.315  -1.541  -2.981
  263    HA2  GLY  42           HA2      GLY  42  10.455  -0.671  -2.524
  264    HA3  GLY  42           HA1      GLY  42  10.738  -0.627  -4.265
  265    H    LYS  43           H        LYS  43   7.869   0.881  -2.973
  266    HA   LYS  43           HA       LYS  43   9.027   3.513  -3.811
  267    HB2  LYS  43           HB2      LYS  43   7.011   3.778  -4.774
  268    HB3  LYS  43           HB1      LYS  43   6.409   2.315  -4.018
  269    HG2  LYS  43           HG2      LYS  43   4.971   4.067  -3.256
  270    HG3  LYS  43           HG1      LYS  43   6.040   3.731  -1.907
  271    HD2  LYS  43           HD2      LYS  43   6.357   5.991  -1.946
  272    HD3  LYS  43           HD1      LYS  43   7.512   5.595  -3.219
  273    HE2  LYS  43           HE2      LYS  43   4.782   5.788  -4.234
  274    HE3  LYS  43           HE1      LYS  43   5.315   7.288  -3.475
  275    HZ1  LYS  43           HZ1      LYS  43   7.438   6.307  -4.989
  276    HZ2  LYS  43           HZ2      LYS  43   6.515   7.706  -5.267
  277    HZ3  LYS  43           HZ3      LYS  43   6.056   6.229  -5.970
  278    H    ILE  44           H        ILE  44   9.598   5.024  -2.322
  279    HA   ILE  44           HA       ILE  44   9.599   4.457   0.464
  280    HB   ILE  44           HB       ILE  44  10.201   6.811  -1.245
  281   HG12  ILE  44          2HG1      ILE  44  11.914   5.217  -0.501
  282   HG13  ILE  44          1HG1      ILE  44  12.216   6.806   0.205
  283   HG21  ILE  44          1HG2      ILE  44  10.456   8.252   0.839
  284   HG22  ILE  44          2HG2      ILE  44   9.441   7.078   1.678
  285   HG23  ILE  44          3HG2      ILE  44   8.793   7.987   0.312
  286   HD11  ILE  44          3HD1      ILE  44  12.428   5.411   2.070
  287   HD12  ILE  44          1HD1      ILE  44  11.150   4.325   1.525
  288   HD13  ILE  44          2HD1      ILE  44  10.740   5.910   2.181
  289    H    CYS  45           H        CYS  45   7.715   4.058   1.477
  290    HA   CYS  45           HA       CYS  45   5.485   6.018   1.145
  291    HB2  CYS  45           HB2      CYS  45   4.187   3.991   2.226
  292    HB3  CYS  45           HB1      CYS  45   4.474   4.052   0.490
  293    H    ARG  46           H        ARG  46   7.741   4.611   3.290
  294    HA   ARG  46           HA       ARG  46   6.854   6.387   5.439
  295    HB2  ARG  46           HB2      ARG  46   5.553   4.028   5.454
  296    HB3  ARG  46           HB1      ARG  46   7.006   3.553   6.335
  297    HG2  ARG  46           HG2      ARG  46   6.339   4.660   8.179
  298    HG3  ARG  46           HG1      ARG  46   6.043   6.132   7.251
  299    HD2  ARG  46           HD2      ARG  46   3.865   5.091   6.480
  300    HD3  ARG  46           HD1      ARG  46   4.147   3.805   7.655
  301    HE   ARG  46           HE       ARG  46   3.232   5.314   9.208
  302   HH11  ARG  46          1HH2      ARG  46   5.900   6.779   9.188
  303   HH12  ARG  46          2HH2      ARG  46   5.388   8.408   8.894
  304   HH21  ARG  46          1HH1      ARG  46   2.220   7.498   7.818
  305   HH22  ARG  46          2HH1      ARG  46   3.304   8.814   8.117
  306    H    ILE  47           H        ILE  47   8.285   5.755   7.511
  307    HA   ILE  47           HA       ILE  47  11.036   5.227   6.462
  308    HB   ILE  47           HB       ILE  47  10.893   6.654   9.019
  309   HG12  ILE  47          2HG1      ILE  47  10.346   8.826   7.561
  310   HG13  ILE  47          1HG1      ILE  47   9.389   7.668   6.636
  311   HG21  ILE  47          1HG2      ILE  47  12.663   6.306   6.917
  312   HG22  ILE  47          2HG2      ILE  47  12.844   7.473   8.228
  313   HG23  ILE  47          3HG2      ILE  47  12.110   7.967   6.702
  314   HD11  ILE  47          3HD1      ILE  47   8.869   8.808   9.274
  315   HD12  ILE  47          1HD1      ILE  47   8.800   7.045   9.287
  316   HD13  ILE  47          2HD1      ILE  47   7.771   7.960   8.185
  317    H    ALA  48           H        ALA  48  12.451   4.797   8.701
  318    HA   ALA  48           HA       ALA  48  10.984   2.622  10.139
  319    HB1  ALA  48           HB1      ALA  48  13.720   1.947  10.108
  320    HB2  ALA  48           HB2      ALA  48  13.338   2.447   8.462
  321    HB3  ALA  48           HB3      ALA  48  12.422   1.147   9.223
  322    H    ARG  49           H        ARG  49  11.321   2.558  12.353
  323    HA   ARG  49           HA       ARG  49  12.504   4.877  13.619
  324    HB2  ARG  49           HB2      ARG  49  11.947   2.294  15.067
  325    HB3  ARG  49           HB1      ARG  49  11.772   3.948  15.653
  326    HG2  ARG  49           HG2      ARG  49   9.950   4.213  13.857
  327    HG3  ARG  49           HG1      ARG  49   9.993   2.454  13.723
  328    HD2  ARG  49           HD2      ARG  49   8.287   2.911  15.319
  329    HD3  ARG  49           HD1      ARG  49   9.684   2.403  16.268
  330    HE   ARG  49           HE       ARG  49  10.037   4.739  16.896
  331   HH11  ARG  49          1HH2      ARG  49   7.234   4.372  17.740
  332   HH12  ARG  49          2HH2      ARG  49   6.422   5.698  16.978
  333   HH21  ARG  49          1HH1      ARG  49   8.992   6.325  14.736
  334   HH22  ARG  49          2HH1      ARG  49   7.418   6.806  15.276
  335    H    GLY  50           H        GLY  50  14.611   5.131  14.258
  336    HA2  GLY  50           HA2      GLY  50  16.700   4.294  15.185
  337    HA3  GLY  50           HA1      GLY  50  16.303   2.698  14.547
  338    H    ASP  51           H        ASP  51  17.128   2.157  12.548
  339    HA   ASP  51           HA       ASP  51  17.579   3.945  10.397
  340    HB2  ASP  51           HB2      ASP  51  19.336   4.595  12.322
  341    HB3  ASP  51           HB1      ASP  51  20.257   3.317  11.528
  342    H    TRP  52           H        TRP  52  16.587   1.718   9.851
  343    HA   TRP  52           HA       TRP  52  18.796  -0.176   9.166
  344    HB2  TRP  52           HB2      TRP  52  16.246  -1.465   8.976
  345    HB3  TRP  52           HB1      TRP  52  17.592  -1.861  10.040
  346    HD1  TRP  52           HD       TRP  52  14.381   0.217   9.915
  347    HE1  TRP  52           HE1      TRP  52  13.657   0.763  12.329
  348    HE3  TRP  52           HE3      TRP  52  18.411  -1.582  12.460
  349    HZ2  TRP  52           HZ2      TRP  52  14.666   0.474  14.994
  350    HZ3  TRP  52           HZ3      TRP  52  18.513  -1.434  14.933
  351    HH2  TRP  52           HH       TRP  52  16.646  -0.409  16.202
  352    H    ASN  53           H        ASN  53  15.450   0.051   8.069
  353    HA   ASN  53           HA       ASN  53  16.395   0.860   5.373
  354    HB2  ASN  53           HB2      ASN  53  15.745  -1.809   6.011
  355    HB3  ASN  53           HB1      ASN  53  14.354  -1.177   5.129
  356   HD21  ASN  53          1HD2      ASN  53  17.506  -2.447   4.741
  357   HD22  ASN  53          2HD2      ASN  53  17.732  -2.019   3.114
  358    H    ASP  54           H        ASP  54  14.841   2.048   4.228
  359    HA   ASP  54           HA       ASP  54  12.658   3.146   5.822
  360    HB2  ASP  54           HB2      ASP  54  13.609   3.584   2.985
  361    HB3  ASP  54           HB1      ASP  54  12.167   4.376   3.625
  362    H    ASP  55           H        ASP  55  10.393   3.031   5.211
  363    HA   ASP  55           HA       ASP  55   9.577   0.381   4.364
  364    HB2  ASP  55           HB2      ASP  55   7.958   2.914   4.783
  365    HB3  ASP  55           HB1      ASP  55   7.275   1.303   4.558
  366    H    ARG  56           H        ARG  56   9.007  -0.285   2.318
  367    HA   ARG  56           HA       ARG  56   8.838   1.834   0.219
  368    HB2  ARG  56           HB2      ARG  56   9.711  -0.957  -0.429
  369    HB3  ARG  56           HB1      ARG  56  10.087   0.556  -1.252
  370    HG2  ARG  56           HG2      ARG  56  11.114   0.908   1.319
  371    HG3  ARG  56           HG1      ARG  56  11.524  -0.758   0.909
  372    HD2  ARG  56           HD2      ARG  56  12.546  -0.019  -1.192
  373    HD3  ARG  56           HD1      ARG  56  12.083   1.648  -0.851
  374    HE   ARG  56           HE       ARG  56  13.648   0.635   1.325
  375   HH11  ARG  56          1HH2      ARG  56  13.676   2.811  -1.179
  376   HH12  ARG  56          2HH2      ARG  56  15.390   2.798  -1.430
  377   HH21  ARG  56          1HH1      ARG  56  15.946   0.095   0.669
  378   HH22  ARG  56          2HH1      ARG  56  16.674   1.262  -0.384
  379    H    CYS  57           H        CYS  57   7.195   1.606  -1.337
  380    HA   CYS  57           HA       CYS  57   4.772   0.380  -0.619
  381    HB2  CYS  57           HB2      CYS  57   5.023   2.029  -2.496
  382    HB3  CYS  57           HB1      CYS  57   5.771   0.751  -3.449
  383    H    THR  58           H        THR  58   3.833  -1.600  -1.103
  384    HA   THR  58           HA       THR  58   5.597  -3.870  -1.382
  385    HB   THR  58           HB       THR  58   2.832  -4.499  -1.924
  386    HG1  THR  58           HG1      THR  58   1.859  -3.207  -0.609
  387   HG21  THR  58          3HG2      THR  58   4.956  -5.106   0.067
  388   HG22  THR  58          1HG2      THR  58   3.944  -6.205  -0.869
  389   HG23  THR  58          2HG2      THR  58   3.290  -5.408   0.562
  390    H    GLY  59           H        GLY  59   3.339  -2.190  -3.549
  391    HA2  GLY  59           HA2      GLY  59   4.085  -2.120  -5.960
  392    HA3  GLY  59           HA1      GLY  59   4.444  -3.838  -5.791
  393    H    GLN  60           H        GLN  60   2.006  -4.256  -4.124
  394    HA   GLN  60           HA       GLN  60  -0.067  -3.934  -6.254
  395    HB2  GLN  60           HB2      GLN  60   0.789  -6.375  -4.730
  396    HB3  GLN  60           HB1      GLN  60  -0.899  -6.218  -5.219
  397    HG2  GLN  60           HG2      GLN  60   0.326  -5.523  -7.537
  398    HG3  GLN  60           HG1      GLN  60   1.517  -6.649  -6.883
  399   HE21  GLN  60          1HE2      GLN  60  -0.761  -8.101  -5.404
  400   HE22  GLN  60          2HE2      GLN  60  -1.497  -9.045  -6.608
  401    H    SER  61           H        SER  61   0.820  -3.276  -3.084
  402    HA   SER  61           HA       SER  61  -2.050  -3.170  -2.230
  403    HB2  SER  61           HB2      SER  61   0.078  -4.353  -0.933
  404    HB3  SER  61           HB1      SER  61  -0.023  -2.783  -0.143
  405    HG   SER  61           HG       SER  61  -1.445  -4.753   0.494
  406    H    ALA  62           H        ALA  62  -2.911  -1.191  -1.705
  407    HA   ALA  62           HA       ALA  62  -1.430   1.199  -2.419
  408    HB1  ALA  62           HB1      ALA  62  -4.175   0.554  -1.481
  409    HB2  ALA  62           HB2      ALA  62  -3.653   1.623  -2.784
  410    HB3  ALA  62           HB3      ALA  62  -3.590   2.177  -1.111
  411    H    ASP  63           H        ASP  63  -2.181  -0.476   0.581
  412    HA   ASP  63           HA       ASP  63  -1.247   1.730   2.262
  413    HB2  ASP  63           HB2      ASP  63  -2.553  -0.823   2.654
  414    HB3  ASP  63           HB1      ASP  63  -1.164  -0.679   3.733
  415    H    CYS  64           H        CYS  64   0.741   1.610   3.542
  416    HA   CYS  64           HA       CYS  64   2.856   0.137   2.067
  417    HB2  CYS  64           HB2      CYS  64   3.168   2.548   2.283
  418    HB3  CYS  64           HB1      CYS  64   3.074   2.436   4.034
  419    HA   PRO  65           HA       PRO  65   2.902  -2.649   5.507
  420    HB2  PRO  65           HB2      PRO  65   4.559  -4.422   4.242
  421    HB3  PRO  65           HB1      PRO  65   2.819  -4.357   3.964
  422    HG2  PRO  65           HG2      PRO  65   5.053  -3.466   2.218
  423    HG3  PRO  65           HG1      PRO  65   3.404  -3.942   1.777
  424    HD2  PRO  65           HD2      PRO  65   4.386  -1.294   1.961
  425    HD3  PRO  65           HD1      PRO  65   2.685  -1.778   1.808
  426    H    ARG  66           H        ARG  66   5.114  -4.118   6.167
  427    HA   ARG  66           HA       ARG  66   7.098  -2.017   6.893
  428    HB2  ARG  66           HB2      ARG  66   5.859  -3.717   8.544
  429    HB3  ARG  66           HB1      ARG  66   7.184  -4.772   8.054
  430    HG2  ARG  66           HG2      ARG  66   7.990  -3.622   9.975
  431    HG3  ARG  66           HG1      ARG  66   8.745  -2.811   8.602
  432    HD2  ARG  66           HD2      ARG  66   7.620  -1.354  10.458
  433    HD3  ARG  66           HD1      ARG  66   7.343  -0.941   8.767
  434    HE   ARG  66           HE       ARG  66   5.084  -1.612   9.020
  435   HH11  ARG  66          1HH2      ARG  66   6.312  -1.166  12.016
  436   HH12  ARG  66          2HH2      ARG  66   5.315  -2.320  12.836
  437   HH21  ARG  66          1HH1      ARG  66   4.100  -3.740   9.917
  438   HH22  ARG  66          2HH1      ARG  66   4.063  -3.777  11.648
  439    H    ASN  67           H        ASN  67   8.998  -2.008   5.784
  440    HA   ASN  67           HA       ASN  67   9.915  -4.592   4.585
  441    HB2  ASN  67           HB2      ASN  67   9.743  -1.840   3.406
  442    HB3  ASN  67           HB1      ASN  67  11.033  -2.919   2.875
  443   HD21  ASN  67          1HD2      ASN  67   7.453  -2.850   3.292
  444   HD22  ASN  67          2HD2      ASN  67   7.136  -3.914   2.010
  445    H    GLY  68           H        GLY  68  10.676  -1.900   6.579
  446    HA2  GLY  68           HA2      GLY  68  13.539  -2.771   6.593
  447    HA3  GLY  68           HA1      GLY  68  13.080  -1.078   6.764
  448    H    LEU  69           H        LEU  69  10.871  -3.155   8.294
  449    HA   LEU  69           HA       LEU  69  12.257  -2.739  10.913
  450    HB2  LEU  69           HB2      LEU  69   9.647  -1.849  10.019
  451    HB3  LEU  69           HB1      LEU  69   9.494  -2.919  11.413
  452    HG   LEU  69           HG       LEU  69   9.785  -0.544  12.092
  453   HD11  LEU  69          1HD1      LEU  69  10.592  -2.353  13.562
  454   HD12  LEU  69          2HD1      LEU  69  11.643  -0.943  13.675
  455   HD13  LEU  69          3HD1      LEU  69  12.145  -2.344  12.729
  456   HD21  LEU  69          3HD2      LEU  69  12.593  -0.770  10.999
  457   HD22  LEU  69          1HD2      LEU  69  11.752   0.675  11.560
  458   HD23  LEU  69          2HD2      LEU  69  11.281  -0.085  10.039
  459    H    TYR  70           H        TYR  70  10.409  -4.176  12.471
  460    HA   TYR  70           HA       TYR  70  10.647  -6.926  11.315
  461    HB2  TYR  70           HB2      TYR  70  10.643  -7.368  14.013
  462    HB3  TYR  70           HB1      TYR  70  12.106  -7.244  13.039
  463    HD1  TYR  70           HD2      TYR  70   9.668  -5.108  14.926
  464    HD2  TYR  70           HD1      TYR  70  13.708  -5.619  13.558
  465    HE1  TYR  70           HE2      TYR  70  10.357  -3.097  16.206
  466    HE2  TYR  70           HE1      TYR  70  14.396  -3.610  14.837
  467    HH   TYR  70           HH       TYR  70  13.762  -2.111  16.384
  468    H    GLY  71           H        GLY  71   8.847  -8.255  11.547
  469    HA2  GLY  71           HA2      GLY  71   6.774  -8.257  13.323
  470    HA3  GLY  71           HA1      GLY  71   6.341  -6.912  12.269