*HEADER   GLYCOPROTEIN                            07-APR-98   1BA4    
*TITLE    THE SOLUTION STRUCTURE OF AMYLOID BETA-PEPTIDE (1-40) IN A  
*TITLE   2 WATER-MICELLE ENVIRONMENT.  IS THE MEMBRANE-SPANNING DOMAIN
*TITLE   3 WHERE WE THINK IT IS?  NMR, 10 STRUCTURES                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: AMYLOID BETA-PEPTIDE;                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: ABETA;                                           
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN                                     
*KEYWDS   GLYCOPROTEIN, AMYLOID BETA-PEPTIDE, ALZHEIMER'S DISEASE,    
*KEYWDS  2 SDS-MICELLES                                               
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   M.COLES,W.BICKNELL,A.A.WATSON,D.P.FAIRLIE,D.J.CRAIK         
*REVDAT  1   17-JUN-98 1BA4    0                                      
 
!!
!!  50 intrares, 89 sequential, 11 (i,i+2), 41 (i,i+3), 14 (i,i+4)
!!

assign (resid  14 and name  HA  )(resid  15 and name  HN   ) 0.0 0.0 2.8 ! s                    
assign (resid  14 and name  HA  )(resid  14 and name  HN   ) 0.0 0.0 4.2 ! w                  
assign (resid  27 and name  HA  )(resid  27 and name  HN   ) 0.0 0.0 2.8 ! s                                 
assign (resid  27 and name  HA  )(resid  28 and name  HN   ) 0.0 0.0 3.4 ! m                                      
assign (resid   7 and name  HA  )(resid   7 and name  HN   ) 0.0 0.0 2.8 ! s     partially overlapped                   
assign (resid   7 and name  HA  )(resid   8 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   6 and name  HN  )(resid   6 and name  HA   ) 0.0 0.0 2.8 ! s                                            
assign (resid   6 and name  HA  )(resid   7 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  13 and name  HA  )(resid  13 and name  HN   ) 0.0 0.0 3.4 ! m                    
assign (resid  13 and name  HA  )(resid  14 and name  HN   ) 0.0 0.0 3.4 ! m     
assign (resid  13 and name  HA  )(resid  13 and name  HD2  ) 0.0 0.0 3.4 ! m         
assign (resid   4 and name  HA  )(resid   4 and name  HN   ) 0.0 0.0 3.4 ! m                                        
assign (resid   4 and name  HA  )(resid   5 and name  HN   ) 0.0 0.0 2.8 ! s     
assign (resid   4 and name  HA  )(resid   4 and name  HD*  ) 0.0 0.0 4.8 ! sa    
assign (resid  23 and name  HA  )(resid  23 and name  HN   ) 0.0 0.0 2.8 ! s     
assign (resid  23 and name  HA  )(resid  24 and name  HN   ) 0.0 0.0 3.4 ! m                    
assign (resid  23 and name  HA  )(resid  26 and name  HN   ) 0.0 0.0 4.2 ! w     ha-hn(i,i+3)                           
assign (resid  26 and name  HA  )(resid  26 and name  HN   ) 0.0 0.0 2.8 ! s     partially overlapped                   
assign (resid  26 and name  HA  )(resid  27 and name  HN   ) 0.0 0.0 3.4 ! m     partially overlapped, adjusted up   
assign (resid  10 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  10 and name  HA  )(resid  10 and name  HE*  ) 0.0 0.0 7.0 ! vwa                                          
assign (resid  19 and name  HA  )(resid  19 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  19 and name  HA  )(resid  19 and name  HE*  ) 0.0 0.0 6.2 ! wa                                           
!assign (resid  19 and name  HA  )(resid  21 and name  HN   ) 0.0 0.0 4.2 ! w  ha-hn(i,i+2) ? probably 26HA-25HN                           ha-hn(i,i+2) ?                         
assign (resid  19 and name  HA  )(resid  20 and name  HN   ) 0.0 0.0 3.4 ! m     partially overlapped, contours OKish   
assign (resid   8 and name  HA  )(resid   9 and name  HN   ) 0.0 0.0 2.8 ! s     partially overlapped, contours OKish   
assign (resid   8 and name  HA  )(resid   8 and name  HN   ) 0.0 0.0 2.8 ! s     partially overlapped                   
assign (resid  20 and name  HA  )(resid  21 and name  HN   ) 0.0 0.0 4.2 ! w                                            
assign (resid  20 and name  HA  )(resid  20 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  20 and name  HA  )(resid  20 and name  HE*  ) 0.0 0.0 6.2 ! wa    overlapped, contours a guess           
assign (resid  20 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid   2 and name  HA  )(resid   2 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   2 and name  HA  )(resid   3 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  35 and name  HA  )(resid  36 and name  HN   ) 0.0 0.0 3.4 ! s adjusted to medium                                     
assign (resid  35 and name  HA  )(resid  35 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   1 and name  HA  )(resid   2 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   3 and name  HA  )(resid   3 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  34 and name  HA  )(resid  37 and name  HN   ) 0.0 0.0 3.4 ! m     ha-hn(i,i+3)                           
assign (resid  34 and name  HA  )(resid  34 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  40 and name  HA  )(resid  40 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  17 and name  HA  )(resid  17 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  17 and name  HA  )(resid  18 and name  HN   ) 0.0 0.0 4.2 ! w     strangely weak cross-peak               
assign (resid  17 and name  HA  )(resid  20 and name  HN   ) 0.0 0.0 3.4 ! m     ha-hn(i,i+3)                           
assign (resid  17 and name  HA  )(resid  21 and name  HN   ) 0.0 0.0 4.2 ! w     ha-hn(i,i+4) ?                         
assign (resid  39 and name  HA  )(resid  39 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  39 and name  HA  )(resid  40 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  16 and name  HA  )(resid  16 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  16 and name  HA  )(resid  17 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   5 and name  HA  )(resid   6 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   5 and name  HA  )(resid   5 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  22 and name  HA  )(resid  25 and name  HN   ) 0.0 0.0 3.4 ! m     ha-hn(i,i+3)                           
assign (resid  22 and name  HA  )(resid  22 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  17 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 5.4 ! ma    (i,i+3)                                
assign (resid  16 and name  HA  )(resid  19 and name  HD*  ) 0.0 0.0 5.4 ! ma    (i,i+3)                                
assign (resid  38 and name  HA* )(resid  38 and name  HN   ) 0.0 0.0 3.8 ! s     glycine                                
assign (resid  29 and name  HA* )(resid  30 and name  HN   ) 0.0 0.0 3.8 ! s     glycine                                
!assign (resid  38 and name  HA* )(resid  39 and name  HN   ) 0.0 0.0 3.8 ! s     glycine                                
assign (resid  28 and name  HA  )(resid  28 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  37 and name  HA* )(resid  37 and name  HN   ) 0.0 0.0 3.8 ! sg    glycine (degenerate)                   
!assign (resid  38 and name  HAu )(resid  38 and name  HN   ) 0.0 0.0 2.8 ! s     glycine                                
!assign (resid  38 and name  HAu )(resid  39 and name  HN   ) 0.0 0.0 2.8 ! s     overlapped, contours a guess           
assign (resid  25 and name  HA* )(resid  25 and name  HN   ) 0.0 0.0 3.8 ! s     glycine                                
assign (resid  12 and name  HA  )(resid  13 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   9 and name  HA* )(resid   9 and name  HN   ) 0.0 0.0 3.8 ! s     glycine                                
assign (resid   8 and name  HB* )(resid   8 and name  HN   ) 0.0 0.0 5.4 ! mg    assume no stereo                       
!assign (resid   9 and name  HAu )(resid   9 and name  HN   ) 0.0 0.0 2.8 ! s     glycine                                
assign (resid   9 and name  HA* )(resid  10 and name  HN   ) 0.0 0.0 4.4 ! m     overlapped and could have a bit of 9-12
assign (resid  21 and name  HA  )(resid  21 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  21 and name  HA  )(resid  22 and name  HN   ) 0.0 0.0 3.4 ! m     overlapped and a bit bodgy             
assign (resid  33 and name  HA* )(resid  33 and name  HN   ) 0.0 0.0 3.8 ! sg    glycine (degenerate)                   
assign (resid  33 and name  HA* )(resid  34 and name  HN   ) 0.0 0.0 3.8 ! sg    glycine (degenerate)                   
assign (resid  12 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 6.2 ! wa    (i,i+2)                                
assign (resid  12 and name  HA  )(resid  10 and name  HE*  ) 0.0 0.0 5.4 ! ma    (i,i+2)                                
!assign (resid   8 and name  HBu )(resid   8 and name  HN   ) 0.0 0.0 4.4 ! mg    assume no stereo                       
assign (resid  29 and name  HA* )(resid  29 and name  HN   ) 0.0 0.0 3.8 ! s     glycine                                
!assign (resid  29 and name  HAu )(resid  30 and name  HN   ) 0.0 0.0 3.4 ! m     glycine                                
assign (resid  15 and name  HA  )(resid  15 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  15 and name  HA  )(resid  16 and name  HN   ) 0.0 0.0 3.4 ! m     overlapped, contours a bit bodgy       
assign (resid  15 and name  HA  )(resid  18 and name  HN   ) 0.0 0.0 4.2 ! w     ha-hn(i,i+3)                           
assign (resid  31 and name  HA  )(resid  31 and name  HN   ) 0.0 0.0 2.8 ! s     a bit overlapped                       
assign (resid  31 and name  HA  )(resid  34 and name  HN   ) 0.0 0.0 3.4 ! m     ha-hn(i,i+3)                           
assign (resid  32 and name  HA  )(resid  33 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  32 and name  HA  )(resid  35 and name  HN   ) 0.0 0.0 3.4 ! m     ha-hn(i,i+3)                           
!assign (resid  25 and name  HAu )(resid  25 and name  HN   ) 0.0 0.0 2.8 ! s     glycine                                
assign (resid  25 and name  HA* )(resid  26 and name  HN   ) 0.0 0.0 4.4 ! m     overlapped, contours a guess           
assign (resid  24 and name  HA  )(resid  25 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  24 and name  HA  )(resid  24 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  24 and name  HA  )(resid  27 and name  HN   ) 0.0 0.0 4.2 ! w     ha-hn(i,i+3)                           
assign (resid  18 and name  HA  )(resid  21 and name  HN   ) 0.0 0.0 4.2 ! w     ha-hn(i,i+3)                           
assign (resid  18 and name  HA  )(resid  22 and name  HN   ) 0.0 0.0 5.0 ! vw    ha-hn(i,i+4) could be 18-20?           
assign (resid  18 and name  HA  )(resid  19 and name  HN   ) 0.0 0.0 4.2 ! w     this is unusually weak                 
assign (resid  18 and name  HA  )(resid  18 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  29 and name  HN  )(resid  30 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  28 and name  HN  )(resid  29 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  15 and name  HN  )(resid  16 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  14 and name  HN  )(resid  15 and name  HN   ) 0.0 0.0 4.2 ! w     diagonalises                           
assign (resid   2 and name  HN  )(resid   3 and name  HN   ) 0.0 0.0 4.2 ! w     diagonalises                           
assign (resid  24 and name  HN  )(resid  25 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  25 and name  HN  )(resid  26 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  23 and name  HN  )(resid  25 and name  HN   ) 0.0 0.0 4.2 ! w     hard to tell from 21-23, could be a bit
assign (resid  13 and name  HN  )(resid  14 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  12 and name  HN  )(resid  13 and name  HN   ) 0.0 0.0 4.2 ! w     hard to diagonalise, contours a guess  
assign (resid   9 and name  HN  )(resid  10 and name  HN   ) 0.0 0.0 2.8 ! s     overlapped, contours OKish             
assign (resid   6 and name  HN  )(resid   7 and name  HN   ) 0.0 0.0 3.4 ! m     partially overlapped                   
assign (resid  22 and name  HN  )(resid  23 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  22 and name  HN  )(resid  24 and name  HN   ) 0.0 0.0 4.2 ! w     seems OK, but does not diagonalise changed to weak    
assign (resid  19 and name  HN  )(resid  20 and name  HN   ) 0.0 0.0 3.4 ! m     overlapped but OK                      
assign (resid   3 and name  HN  )(resid   4 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  16 and name  HN  )(resid  17 and name  HN   ) 0.0 0.0 3.4 ! m     diagonalises perfectly                 
assign (resid   5 and name  HN  )(resid   6 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  35 and name  HN  )(resid  36 and name  HN   ) 0.0 0.0 2.8 ! s     o/l with 36-37, both must be strong    
assign (resid  36 and name  HN  )(resid  37 and name  HN   ) 0.0 0.0 2.8 ! s     o/l with above, both must be strong    
assign (resid  33 and name  HN  )(resid  34 and name  HN   ) 0.0 0.0 2.8 ! s                                            
!assign (resid   5 and name  HN  )(resid   5 and name  HE   ) 0.0 0.0 4.2 ! w     atom name OK?                          
assign (resid  38 and name  HN  )(resid  39 and name  HN   ) 0.0 0.0 2.8 ! s     close to diagonal, but OKish           
assign (resid  14 and name  HN  )(resid  14 and name  HD2  ) 0.0 0.0 4.2 ! w                                            
assign (resid   4 and name  HN  )(resid   5 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  39 and name  HN  )(resid  40 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  34 and name  HN  )(resid  35 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  27 and name  HN  )(resid  27 and name  HD2* ) 0.0 0.0 5.2 ! wg    doesnt diagonalise well, but OK        
!assign (resid  27 and name  HN  )(resid  27 and name  HD2d ) 0.0 0.0 5.2 ! wg                                           
assign (resid  18 and name  HN  )(resid  19 and name  HN   ) 0.0 0.0 3.4 ! m     diagonalises poorly                    
assign (resid  17 and name  HN  )(resid  18 and name  HN   ) 0.0 0.0 3.4 ! m     broad, maybe overlapped with 28-28NH2  
assign (resid  20 and name  HD* )(resid  21 and name  HN   ) 0.0 0.0 5.4 ! ma    does not diagonalise well              
assign (resid  20 and name  HD* )(resid  20 and name  HN   ) 0.0 0.0 5.4 ! ma                                            
assign (resid  20 and name  HE* )(resid  20 and name  HN   ) 0.0 0.0 6.2 ! wa                                           
assign (resid   4 and name  HN  )(resid   4 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  19 and name  HN  )(resid  19 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  10 and name  HN  )(resid  10 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  10 and name  HN  )(resid  10 and name  HE*  ) 0.0 0.0 7.0 ! vwa                                          
assign (resid  23 and name  HA  )(resid  26 and name  HB*  ) 0.0 0.0 5.2 ! wg    ha-hb(i,i+3)                           
assign (resid  17 and name  HA  )(resid  20 and name  HB*  ) 0.0 0.0 3.8 ! sg    ha-hb(i,i+3)                           
assign (resid  16 and name  HA  )(resid  19 and name  HB*  ) 0.0 0.0 4.4 ! mg    ha-hb(i,i+3)                           
assign (resid  12 and name  HA  )(resid  13 and name  HB*  ) 0.0 0.0 5.2 ! wg    sequential a-b, seems OK, diagonalises 
assign (resid  20 and name  HA  )(resid  23 and name  HB1  ) 0.0 0.0 3.4 ! m     ha-hb(i,i+3)                           
assign (resid  20 and name  HA  )(resid  23 and name  HB2  ) 0.0 0.0 3.4 ! m     ha-hb(i,i+3)                           
assign (resid  19 and name  HA  )(resid  22 and name  HG*  ) 0.0 0.0 5.2 ! wg    ha-hg(i,i+3)  assume no stereo         
assign (resid  24 and name  HA  )(resid  27 and name  HB1  ) 0.0 0.0 4.2 ! w     ha-hb(i,i+3)                           
assign (resid  24 and name  HA  )(resid  27 and name  HB2  ) 0.0 0.0 4.2 ! w     ha-hb(i,i+3)                           
assign (resid  32 and name  HA  )(resid  35 and name  HG*  ) 0.0 0.0 5.2 ! wg    ha-hg(i,i+3)  assume no stereo         
assign (resid  19 and name  HA  )(resid  22 and name  HB*  ) 0.0 0.0 4.4 ! m     ha-hb(i,i+3)                           
!assign (resid  19 and name  HA  )(resid  22 and name  HBu  ) 0.0 0.0 3.4 ! m     ha-hb(i,i+3)                           
assign (resid  28 and name  HA  )(resid  31 and name  HG11 ) 0.0 0.0 4.2 ! w     a bit bodgy                            
assign (resid  28 and name  HA  )(resid  31 and name  HG2* ) 0.0 0.0 3.6 ! sm    could be delta-Me, but vol of both is s
assign (resid  28 and name  HA  )(resid  31 and name  HD*  ) 0.0 0.0 4.2 ! mm    overlapped, contours a guess, see above
assign (resid  21 and name  HA  )(resid  24 and name  HG1* ) 0.0 0.0 4.2 ! mm    ha-hg(i,i+3)                           
assign (resid  21 and name  HA  )(resid  24 and name  HG2* ) 0.0 0.0 3.6 ! sm    ha-hg(i,i+3)                           
assign (resid  33 and name  HA* )(resid  36 and name  HB   ) 0.0 0.0 3.4 ! m     ha-hb(i,i+3), contours a guess         
assign (resid  32 and name  HA  )(resid  35 and name  HB*  ) 0.0 0.0 4.4 ! m     ha-hb(i,i+3)                           
!assign (resid  32 and name  HA  )(resid  35 and name  HBu  ) 0.0 0.0 3.4 ! m     ha-hb(i,i+3)                           
assign (resid  21 and name  HA  )(resid  24 and name  HB   ) 0.0 0.0 2.8 ! s     ha-hb(i,i+3) a bit overlapped          
assign (resid  29 and name  HA* )(resid  32 and name  HB   ) 0.0 0.0 4.4 ! mg    ha-hb(i,i+3), glycine                  
assign (resid  31 and name  HA  )(resid  34 and name  HB*  ) 0.0 0.0 4.4 ! mg    ha-hb(i,i+3)                           
assign (resid  18 and name  HA  )(resid  21 and name  HB*  ) 0.0 0.0 3.6 ! sm    ha-hb(i,i+3)                           
assign (resid  15 and name  HA  )(resid  18 and name  HG2* ) 0.0 0.0 5.3 ! sm    ha-hg(i,i+3)                           
assign (resid  33 and name  HA* )(resid  36 and name  HG2* ) 0.0 0.0 5.4 ! mg    ha-hg(i,i+3)                           
!assign (resid  20 and name  HBd )(resid  21 and name  HB*  ) 0.0 0.0 5.0 ! wm    b-b(i,i+1)                             
assign (resid  25 and name  HA* )(resid  28 and name  HB*  ) 0.0 0.0 7.0 ! vwg   a bit bodgy                            
assign (resid  27 and name  HA  )(resid  30 and name  HB*  ) 0.0 0.0 4.2 ! mm    ha-hb(i,i+3)                           
assign (resid  20 and name  HD* )(resid  23 and name  HB1  ) 0.0 0.0 6.2 ! wa    i,i+3                                  
assign (resid  20 and name  HD* )(resid  23 and name  HB2  ) 0.0 0.0 6.2 ! wa    i,i+3                                  
assign (resid  14 and name  HD2 )(resid  13 and name  HB*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  15 and name  HG* )(resid  19 and name  HE*  ) 0.0 0.0 7.2 ! wl    i-i+4                                  
assign (resid  15 and name  HB* )(resid  19 and name  HE*  ) 0.0 0.0 7.2 ! wl    i-i+4                                  
assign (resid  15 and name  HG* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  15 and name  HB* )(resid  19 and name  HD*  ) 0.0 0.0 8.0 ! vwl   i,i+4                                  
assign (resid  24 and name  HB  )(resid  20 and name  HD*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  16 and name  HD* )(resid  20 and name  HD*  ) 0.0 0.0 7.2 ! wl    i,i+4                                  
assign (resid  21 and name  HB* )(resid  20 and name  HD*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid   2 and name  HB* )(resid   4 and name  HD*  ) 0.0 0.0 7.2 ! wl    i,i+2                                  
assign (resid  19 and name  HE* )(resid  18 and name  HG1* ) 0.0 0.0 7.2 ! wl                                           
assign (resid  19 and name  HD* )(resid  18 and name  HG1* ) 0.0 0.0 6.4 ! ml                                           
!assign (resid  17 and name  HDd )(resid  20 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  17 and name  HD* )(resid  20 and name  HD*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  20 and name  HD* )(resid  24 and name  HG1* ) 0.0 0.0 6.4 ! ml                                           
assign (resid  20 and name  HD* )(resid  24 and name  HG2* ) 0.0 0.0 5.8 ! sl                                           
assign (resid  20 and name  HE* )(resid  24 and name  HG1* ) 0.0 0.0 8.0 ! vwl                                          
assign (resid  20 and name  HE* )(resid  24 and name  HG2* ) 0.0 0.0 6.4 ! ml                                           
assign (resid  16 and name  HN  )(resid  12 and name  HG1* ) 0.0 0.0 5.8 ! vwm                                          
assign (resid  16 and name  HN  )(resid  12 and name  HG2* ) 0.0 0.0 5.8 ! vwm                                          
!assign (resid  20 and name  HN  )(resid  18 and name  HG1*  ) 0.0 0.0 6.7 ! wm                                           
!assign (resid   1 and name  HBd )(resid   2 and name  HN   ) 0.0 0.0 4.2 ! w     hb-hn(i,i+1)                           
assign (resid   1 and name  HB* )(resid   2 and name  HN   ) 0.0 0.0 4.4 ! m     hb-hn(i,i+1)                           
assign (resid  20 and name  HB* )(resid  21 and name  HN   ) 0.0 0.0 3.8 ! sg    hb-hn(i,i+1)                           
assign (resid  19 and name  HB* )(resid  20 and name  HN   ) 0.0 0.0 4.4 ! mg    hb-hn(i,i+1) partially overlapped but O
assign (resid  13 and name  HB* )(resid  14 and name  HN   ) 0.0 0.0 5.2 ! wg    hb-hn(i,i+1)                           
assign (resid   4 and name  HB* )(resid   5 and name  HN   ) 0.0 0.0 4.4 ! m     hb-hn(i,i+1)                           
!assign (resid   4 and name  HBu )(resid   5 and name  HN   ) 0.0 0.0 4.2 ! w     hb-hn(i,i+1)                           
assign (resid   7 and name  HB2 )(resid   8 and name  HN   ) 0.0 0.0 4.2 ! w     hb-hn(i,i+1)                           
assign (resid   7 and name  HB1 )(resid   8 and name  HN   ) 0.0 0.0 5.0 ! vw    hb-hn(i,i+1)                           
assign (resid  23 and name  HB1 )(resid  24 and name  HN   ) 0.0 0.0 3.4 ! m     hb-hn(i,i+1)                           
assign (resid  23 and name  HB2 )(resid  24 and name  HN   ) 0.0 0.0 4.2 ! w     hb-hn(i,i+1)                           
assign (resid  22 and name  HG* )(resid  23 and name  HN   ) 0.0 0.0 5.2 ! wg    hb-hn(i,i+1), assume no stereo         
!assign (resid  22 and name  HGu )(resid  23 and name  HN   ) 0.0 0.0 6.0 ! vwg   hb-hn(i,i+1), assume no stereo, see abo
assign (resid  35 and name  HG* )(resid  36 and name  HN   ) 0.0 0.0 5.2 ! wg    hg-hn(i,i+1), assume no stereo, no part
assign (resid  28 and name  HB* )(resid  29 and name  HN   ) 0.0 0.0 4.4 ! m     hb-hn(i,i+1)                           
!assign (resid  28 and name  HBu )(resid  29 and name  HN   ) 0.0 0.0 3.4 ! m     hb-hn(i,i+1)                           
assign (resid  24 and name  HB  )(resid  25 and name  HN   ) 0.0 0.0 2.8 ! s     hb-hn(i,i+1)                           
assign (resid  24 and name  HG1* )(resid  25 and name  HN   ) 0.0 0.0 4.2 ! mm    hg-hn(i,i+1) valine methyl             
assign (resid  24 and name  HG2* )(resid  25 and name  HN   ) 0.0 0.0 4.2 ! mm    hg-hb(i,i+1) valine methyl             
assign (resid  12 and name  HB  )(resid  13 and name  HN   ) 0.0 0.0 3.4 ! m     hb-hn(i,i+1)                           
assign (resid  12 and name  HG1* )(resid  13 and name  HN   ) 0.0 0.0 4.2 ! mm    hg-hn(i,i+1) valine methyl             
assign (resid  12 and name  HG2* )(resid  13 and name  HN   ) 0.0 0.0 4.2 ! mm    hg-hn(i,i+1) valine methyl             
assign (resid  21 and name  HB* )(resid  22 and name  HN   ) 0.0 0.0 3.6 ! sm    hb-hn(i,i+1)                           
assign (resid   2 and name  HB* )(resid   3 and name  HN   ) 0.0 0.0 4.2 ! mm    hb-hn(i,i+1)                           
assign (resid   5 and name  HB* )(resid   6 and name  HN   ) 0.0 0.0 5.2 ! wg    hb-hn(i,i+1) assume no stereo          
!assign (resid   5 and name  HBu )(resid   6 and name  HN   ) 0.0 0.0 6.0 ! vwg   hb-hn(i,i+1) assume no stereo, see abov
assign (resid  22 and name  HB* )(resid  23 and name  HN   ) 0.0 0.0 4.4 ! mg    hb-hn(i,i+1), other of pair overlapped,
assign (resid  32 and name  HB  )(resid  33 and name  HN   ) 0.0 0.0 2.8 ! s     hb-hn(i,i+1)                           
assign (resid  32 and name  HG11)(resid  33 and name  HN   ) 0.0 0.0 4.2 ! w     hg-hn(i,i+1), assume HG11              
assign (resid  31 and name  HB  )(resid  32 and name  HN   ) 0.0 0.0 2.8 ! s     hb-hn(i,i+1)                           
assign (resid  34 and name  HB* )(resid  35 and name  HN   ) 0.0 0.0 4.4 ! mg    hb-hn(i,i+1), assume no stereo, partner
assign (resid  16 and name  HB* )(resid  17 and name  HN   ) 0.0 0.0 5.2 ! wg    hb-hn(i,i+1), assume no stereo         
assign (resid  17 and name  HB* )(resid  18 and name  HN   ) 0.0 0.0 5.2 ! wg    hb-hn(i,i+1), assume no stereo         
assign (resid  38 and name  HN  )(resid  40 and name  HN   ) 0.0 0.0 4.2 ! w     hn-hn(i,i+2)                           
assign (resid  18 and name  HN  )(resid  20 and name  HN   ) 0.0 0.0 4.2 ! w     hn-hn(i,i+2)                           
assign (resid  19 and name  HN  )(resid  21 and name  HN   ) 0.0 0.0 4.2 ! w     hn-hn(i,i+1)                           
assign (resid  27 and name  HD2*)(resid  27 and name  HA   ) 0.0 0.0 5.2 ! wg    assume no stereo                       
assign (resid  27 and name  HD2*)(resid  26 and name  HB*  ) 0.0 0.0 7.2 ! wl    assume no stereo on either end         
assign (resid  14 and name  HE1 )(resid  13 and name  HB*  ) 0.0 0.0 6.0 ! vwg   seems OK                               
!assign (resid  11 and name  HA  )(resid  12 and name  HB   ) 0.0 0.0 5.0 ! vw    added  (2 contours)
assign (resid  14 and name  HB1 )(resid  17 and name  HB*  ) 0.0 0.0 6.0 ! vw    i,i+3 Assume no stereo for 17B
assign (resid  14 and name  HB2 )(resid  17 and name  HB*  ) 0.0 0.0 5.2 ! vw    i,i+3 Assume no stereo for 17B
assign (resid  10 and name  HD* )(resid  12 and name  HG1* ) 0.0 0.0 7.2 ! wl    to one methyl only.                    
assign (resid  10 and name  HE* )(resid  12 and name  HG1* ) 0.0 0.0 7.2 ! wl                                           
assign (resid  10 and name  HE* )(resid  12 and name  HG2* ) 0.0 0.0 8.0 ! vwl 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1H        ASP   1   0.330  -6.074  -9.623
    2   2H    ASP   1          3H        ASP   1   1.680  -5.696  -8.668
    3   3H    ASP   1          2H        ASP   1   1.396  -4.845 -10.111
    4    HA   ASP   1           HA       ASP   1   2.584  -6.283 -11.248
    5   1HB   ASP   1          2HB       ASP   1   3.930  -7.950 -10.025
    6   2HB   ASP   1          1HB       ASP   1   3.808  -6.514  -9.029
    7    H    ALA   2           H        ALA   2   2.847  -8.934 -11.476
    8    HA   ALA   2           HA       ALA   2   0.171  -9.788 -12.359
    9   1HB   ALA   2          2HB       ALA   2   2.989 -10.827 -12.742
   10   2HB   ALA   2          1HB       ALA   2   1.647 -11.925 -12.987
   11   3HB   ALA   2          3HB       ALA   2   1.771 -10.474 -13.962
   12    H    GLU   3           H        GLU   3  -1.041 -10.392 -10.670
   13    HA   GLU   3           HA       GLU   3  -0.071 -11.636  -8.278
   14   1HB   GLU   3          2HB       GLU   3  -2.779 -11.224  -9.572
   15   2HB   GLU   3          1HB       GLU   3  -2.677 -12.337  -8.224
   16   1HG   GLU   3          2HG       GLU   3  -3.225 -10.065  -7.412
   17   2HG   GLU   3          1HG       GLU   3  -1.654 -10.553  -6.809
   18    H    PHE   4           H        PHE   4  -0.714 -12.770 -11.387
   19    HA   PHE   4           HA       PHE   4   0.471 -15.296 -11.165
   20   1HB   PHE   4          2HB       PHE   4  -1.512 -16.033  -9.829
   21   2HB   PHE   4          1HB       PHE   4  -2.603 -15.374 -11.040
   22    HD1  PHE   4           HD1      PHE   4  -0.022 -17.958 -10.413
   23    HD2  PHE   4           HD2      PHE   4  -3.069 -16.611 -13.065
   24    HE1  PHE   4           HE1      PHE   4   0.108 -20.081 -11.645
   25    HE2  PHE   4           HE2      PHE   4  -2.935 -18.731 -14.297
   26    HZ   PHE   4           HZ       PHE   4  -1.346 -20.469 -13.589
   27    H    ARG   5           H        ARG   5   1.309 -14.938 -13.152
   28    HA   ARG   5           HA       ARG   5   1.454 -14.380 -15.430
   29   1HB   ARG   5          2HB       ARG   5   0.602 -16.776 -15.271
   30   2HB   ARG   5          1HB       ARG   5  -1.020 -16.171 -15.504
   31   1HG   ARG   5          2HG       ARG   5   0.685 -15.060 -17.598
   32   2HG   ARG   5          1HG       ARG   5   0.978 -16.784 -17.496
   33   1HD   ARG   5          2HD       ARG   5  -1.316 -17.324 -17.921
   34   2HD   ARG   5          1HD       ARG   5  -1.854 -15.669 -17.642
   35    HE   ARG   5           HE       ARG   5   0.041 -15.630 -19.753
   36   1HH1  ARG   5          2HH1      ARG   5  -3.139 -16.791 -19.024
   37   2HH1  ARG   5          1HH1      ARG   5  -3.679 -16.686 -20.666
   38   1HH2  ARG   5          1HH2      ARG   5  -0.620 -15.484 -21.840
   39   2HH2  ARG   5          2HH2      ARG   5  -2.230 -15.937 -22.288
   40    H    HIS   6           H        HIS   6   0.611 -12.211 -14.541
   41    HA   HIS   6           HA       HIS   6  -0.748 -10.324 -14.672
   42   1HB   HIS   6          2HB       HIS   6  -0.987  -9.609 -17.087
   43   2HB   HIS   6          1HB       HIS   6   0.599 -10.264 -16.740
   44    HD1  HIS   6           HD1      HIS   6  -2.632 -11.469 -18.234
   45    HD2  HIS   6           HD2      HIS   6   1.349 -12.360 -18.370
   46    HE1  HIS   6           HE1      HIS   6  -2.368 -13.205 -19.964
   47    H    ASP   7           H        ASP   7  -2.366 -12.566 -13.993
   48    HA   ASP   7           HA       ASP   7  -4.752 -12.823 -15.448
   49   1HB   ASP   7          2HB       ASP   7  -5.669 -13.744 -13.380
   50   2HB   ASP   7          1HB       ASP   7  -4.035 -14.321 -13.570
   51    H    SER   8           H        SER   8  -6.837 -12.041 -15.048
   52    HA   SER   8           HA       SER   8  -6.983  -9.185 -14.651
   53   1HB   SER   8          2HB       SER   8  -9.499  -9.613 -14.994
   54   2HB   SER   8          1HB       SER   8  -8.495 -10.308 -16.277
   55    HG   SER   8           HG       SER   8  -9.152 -12.184 -15.656
   56    H    GLY   9           H        GLY   9  -8.343  -8.136 -13.020
   57   1HA   GLY   9          2HA       GLY   9  -9.679  -9.042 -10.863
   58   2HA   GLY   9          1HA       GLY   9  -8.022  -9.398 -10.374
   59    H    TYR  10           H        TYR  10 -10.246  -6.883 -11.256
   60    HA   TYR  10           HA       TYR  10  -8.656  -4.573 -10.985
   61   1HB   TYR  10          2HB       TYR  10 -10.691  -3.407 -11.063
   62   2HB   TYR  10          1HB       TYR  10 -11.266  -4.971 -11.609
   63    HD1  TYR  10           HD2      TYR  10 -12.045  -6.629  -9.676
   64    HD2  TYR  10           HD1      TYR  10 -11.747  -2.405  -9.216
   65    HE1  TYR  10           HE2      TYR  10 -13.560  -6.729  -7.755
   66    HE2  TYR  10           HE1      TYR  10 -13.261  -2.508  -7.297
   67    HH   TYR  10           HH       TYR  10 -13.822  -4.717  -5.519
   68    H    GLU  11           H        GLU  11  -9.868  -6.713  -8.642
   69    HA   GLU  11           HA       GLU  11  -9.492  -7.043  -6.407
   70   1HB   GLU  11          2HB       GLU  11  -7.147  -6.180  -7.122
   71   2HB   GLU  11          1HB       GLU  11  -7.602  -4.638  -6.439
   72   1HG   GLU  11          2HG       GLU  11  -8.253  -6.218  -4.322
   73   2HG   GLU  11          1HG       GLU  11  -7.053  -7.256  -5.068
   74    H    VAL  12           H        VAL  12  -9.079  -3.508  -6.365
   75    HA   VAL  12           HA       VAL  12 -11.754  -3.180  -5.124
   76    HB   VAL  12           HB       VAL  12 -10.757  -1.845  -3.281
   77   1HG1  VAL  12          1HG1      VAL  12 -10.988  -4.376  -3.076
   78   2HG1  VAL  12          3HG1      VAL  12  -9.276  -4.488  -3.451
   79   3HG1  VAL  12          2HG1      VAL  12  -9.804  -3.642  -2.007
   80   1HG2  VAL  12          3HG2      VAL  12  -8.250  -2.291  -4.898
   81   2HG2  VAL  12          2HG2      VAL  12  -8.790  -0.864  -4.042
   82   3HG2  VAL  12          1HG2      VAL  12  -8.099  -2.216  -3.157
   83    H    HIS  13           H        HIS  13 -11.592  -0.606  -4.460
   84    HA   HIS  13           HA       HIS  13 -12.048   0.769  -6.914
   85   1HB   HIS  13          2HB       HIS  13 -12.388   1.276  -4.075
   86   2HB   HIS  13          1HB       HIS  13 -11.634   2.690  -4.783
   87    HD1  HIS  13           HD1      HIS  13 -14.853   1.316  -4.339
   88    HD2  HIS  13           HD2      HIS  13 -13.119   3.495  -7.325
   89    HE1  HIS  13           HE1      HIS  13 -16.701   2.278  -5.662
   90    H    HIS  14           H        HIS  14  -9.717   1.875  -4.504
   91    HA   HIS  14           HA       HIS  14  -7.704   2.231  -6.657
   92   1HB   HIS  14          2HB       HIS  14  -7.589   4.427  -4.654
   93   2HB   HIS  14          1HB       HIS  14  -7.563   4.533  -6.398
   94    HD1  HIS  14           HD1      HIS  14  -9.842   4.974  -3.603
   95    HD2  HIS  14           HD2      HIS  14 -10.182   4.608  -7.654
   96    HE1  HIS  14           HE1      HIS  14 -12.117   5.735  -4.181
   97    H    GLN  15           H        GLN  15  -8.348   1.002  -3.779
   98    HA   GLN  15           HA       GLN  15  -5.858   1.425  -2.347
   99   1HB   GLN  15          2HB       GLN  15  -8.264  -0.200  -1.970
  100   2HB   GLN  15          1HB       GLN  15  -6.865  -1.231  -1.735
  101   1HG   GLN  15          2HG       GLN  15  -6.993   1.490  -0.389
  102   2HG   GLN  15          1HG       GLN  15  -7.823   0.109   0.306
  103   1HE2  GLN  15          2HE2      GLN  15  -4.864  -0.899   1.877
  104   2HE2  GLN  15          1HE2      GLN  15  -6.538  -0.636   1.977
  105    H    LYS  16           H        LYS  16  -6.851  -0.469  -5.032
  106    HA   LYS  16           HA       LYS  16  -4.832  -2.438  -5.111
  107   1HB   LYS  16          2HB       LYS  16  -6.870  -2.473  -6.570
  108   2HB   LYS  16          1HB       LYS  16  -6.341  -1.011  -7.368
  109   1HG   LYS  16          2HG       LYS  16  -5.888  -3.092  -8.695
  110   2HG   LYS  16          1HG       LYS  16  -4.439  -2.160  -8.374
  111   1HD   LYS  16          2HD       LYS  16  -3.573  -3.720  -6.900
  112   2HD   LYS  16          1HD       LYS  16  -5.151  -4.221  -6.338
  113   1HE   LYS  16          2HE       LYS  16  -5.483  -5.323  -8.657
  114   2HE   LYS  16          1HE       LYS  16  -3.755  -5.084  -8.888
  115   1HZ   LYS  16          3HZ       LYS  16  -4.168  -6.197  -6.354
  116   2HZ   LYS  16          2HZ       LYS  16  -5.054  -7.105  -7.480
  117   3HZ   LYS  16          1HZ       LYS  16  -3.385  -6.879  -7.698
  118    H    LEU  17           H        LEU  17  -4.986   0.872  -6.324
  119    HA   LEU  17           HA       LEU  17  -2.393   0.860  -7.561
  120   1HB   LEU  17          2HB       LEU  17  -3.058   2.966  -8.245
  121   2HB   LEU  17          1HB       LEU  17  -4.601   2.525  -7.568
  122    HG   LEU  17           HG       LEU  17  -3.865   3.550  -5.393
  123   1HD1  LEU  17          2HD1      LEU  17  -1.368   3.909  -6.923
  124   2HD1  LEU  17          1HD1      LEU  17  -1.965   5.475  -6.422
  125   3HD1  LEU  17          3HD1      LEU  17  -1.647   4.239  -5.227
  126   1HD2  LEU  17          2HD2      LEU  17  -5.402   4.654  -6.984
  127   2HD2  LEU  17          1HD2      LEU  17  -4.394   5.845  -6.180
  128   3HD2  LEU  17          3HD2      LEU  17  -4.037   5.360  -7.832
  129    H    VAL  18           H        VAL  18  -3.615   1.846  -4.380
  130    HA   VAL  18           HA       VAL  18  -1.261   2.878  -3.247
  131    HB   VAL  18           HB       VAL  18  -3.659   1.367  -2.136
  132   1HG1  VAL  18          2HG1      VAL  18  -1.273   2.371  -0.609
  133   2HG1  VAL  18          1HG1      VAL  18  -2.877   2.363   0.124
  134   3HG1  VAL  18          3HG1      VAL  18  -2.170   0.861  -0.438
  135   1HG2  VAL  18          1HG2      VAL  18  -4.020   3.642  -3.047
  136   2HG2  VAL  18          3HG2      VAL  18  -4.299   3.602  -1.317
  137   3HG2  VAL  18          2HG2      VAL  18  -2.805   4.278  -1.949
  138    H    PHE  19           H        PHE  19  -2.405  -0.480  -3.205
  139    HA   PHE  19           HA       PHE  19  -0.149  -1.670  -1.968
  140   1HB   PHE  19          2HB       PHE  19  -2.032  -2.861  -4.058
  141   2HB   PHE  19          1HB       PHE  19  -0.951  -3.798  -3.040
  142    HD1  PHE  19           HD1      PHE  19  -1.316  -2.401  -0.375
  143    HD2  PHE  19           HD2      PHE  19  -4.164  -3.521  -3.343
  144    HE1  PHE  19           HE1      PHE  19  -3.059  -2.518   1.332
  145    HE2  PHE  19           HE2      PHE  19  -5.903  -3.636  -1.618
  146    HZ   PHE  19           HZ       PHE  19  -5.355  -3.137   0.720
  147    H    PHE  20           H        PHE  20  -0.862  -1.169  -5.385
  148    HA   PHE  20           HA       PHE  20   1.399  -2.343  -6.539
  149   1HB   PHE  20          2HB       PHE  20   0.022  -1.634  -8.248
  150   2HB   PHE  20          1HB       PHE  20  -0.673  -0.358  -7.288
  151    HD1  PHE  20           HD2      PHE  20   2.355  -1.221  -9.265
  152    HD2  PHE  20           HD1      PHE  20  -0.089   1.931  -7.760
  153    HE1  PHE  20           HE2      PHE  20   3.621   0.401 -10.583
  154    HE2  PHE  20           HE1      PHE  20   1.172   3.542  -9.065
  155    HZ   PHE  20           HZ       PHE  20   3.041   2.796 -10.493
  156    H    ALA  21           H        ALA  21   0.992   1.006  -5.453
  157    HA   ALA  21           HA       ALA  21   3.587   1.983  -5.937
  158   1HB   ALA  21          1HB       ALA  21   1.489   3.251  -5.053
  159   2HB   ALA  21          3HB       ALA  21   1.980   2.726  -3.451
  160   3HB   ALA  21          2HB       ALA  21   3.037   3.758  -4.398
  161    H    GLU  22           H        GLU  22   2.404   0.355  -3.038
  162    HA   GLU  22           HA       GLU  22   4.843   0.437  -1.556
  163   1HB   GLU  22          2HB       GLU  22   2.663  -1.711  -1.583
  164   2HB   GLU  22          1HB       GLU  22   3.955  -1.670  -0.407
  165   1HG   GLU  22          2HG       GLU  22   3.079   0.130   0.742
  166   2HG   GLU  22          1HG       GLU  22   2.412   0.881  -0.696
  167    H    ASP  23           H        ASP  23   3.615  -2.036  -3.727
  168    HA   ASP  23           HA       ASP  23   5.676  -3.915  -3.708
  169   1HB   ASP  23          2HB       ASP  23   3.397  -3.832  -5.080
  170   2HB   ASP  23          1HB       ASP  23   4.358  -3.068  -6.311
  171    H    VAL  24           H        VAL  24   5.282  -1.180  -5.788
  172    HA   VAL  24           HA       VAL  24   7.649  -1.197  -7.268
  173    HB   VAL  24           HB       VAL  24   5.898   1.102  -6.301
  174   1HG1  VAL  24          1HG1      VAL  24   7.836   1.057  -8.597
  175   2HG1  VAL  24          3HG1      VAL  24   6.596   2.281  -8.327
  176   3HG1  VAL  24          2HG1      VAL  24   7.890   2.081  -7.156
  177   1HG2  VAL  24          2HG2      VAL  24   5.118  -1.052  -7.816
  178   2HG2  VAL  24          1HG2      VAL  24   4.396   0.544  -7.863
  179   3HG2  VAL  24          3HG2      VAL  24   5.603   0.083  -9.059
  180    H    GLY  25           H        GLY  25   6.946   0.583  -4.357
  181   1HA   GLY  25          2HA       GLY  25   9.355   1.895  -3.847
  182   2HA   GLY  25          1HA       GLY  25   8.278   1.326  -2.576
  183    H    SER  26           H        SER  26   8.416  -1.258  -2.593
  184    HA   SER  26           HA       SER  26  10.947  -1.876  -1.404
  185   1HB   SER  26          2HB       SER  26  10.016  -4.326  -1.496
  186   2HB   SER  26          1HB       SER  26   9.024  -3.147  -0.630
  187    HG   SER  26           HG       SER  26   8.467  -4.503  -2.877
  188    H    ASN  27           H        ASN  27   9.517  -2.974  -4.425
  189    HA   ASN  27           HA       ASN  27  11.390  -4.626  -5.503
  190   1HB   ASN  27          2HB       ASN  27   9.440  -2.634  -6.616
  191   2HB   ASN  27          1HB       ASN  27  10.633  -3.248  -7.729
  192   1HD2  ASN  27          2HD2      ASN  27   8.211  -6.081  -5.958
  193   2HD2  ASN  27          1HD2      ASN  27   8.876  -4.838  -5.010
  194    H    LYS  28           H        LYS  28  11.521  -1.133  -5.683
  195    HA   LYS  28           HA       LYS  28  13.579  -0.547  -7.318
  196   1HB   LYS  28          2HB       LYS  28  12.223   0.796  -5.433
  197   2HB   LYS  28          1HB       LYS  28  13.740   0.645  -4.568
  198   1HG   LYS  28          2HG       LYS  28  14.739   1.437  -6.929
  199   2HG   LYS  28          1HG       LYS  28  13.105   2.043  -7.154
  200   1HD   LYS  28          2HD       LYS  28  13.303   3.364  -5.046
  201   2HD   LYS  28          1HD       LYS  28  14.918   2.728  -4.790
  202   1HE   LYS  28          2HE       LYS  28  15.145   4.929  -5.807
  203   2HE   LYS  28          1HE       LYS  28  15.597   3.744  -7.022
  204   1HZ   LYS  28          1HZ       LYS  28  12.833   4.164  -7.170
  205   2HZ   LYS  28          3HZ       LYS  28  13.601   5.678  -7.154
  206   3HZ   LYS  28          2HZ       LYS  28  14.025   4.522  -8.324
  207    H    GLY  29           H        GLY  29  14.065  -2.005  -4.109
  208   1HA   GLY  29          2HA       GLY  29  16.909  -1.811  -4.031
  209   2HA   GLY  29          1HA       GLY  29  15.948  -3.018  -3.169
  210    H    ALA  30           H        ALA  30  14.862  -4.580  -4.898
  211    HA   ALA  30           HA       ALA  30  16.939  -6.234  -5.927
  212   1HB   ALA  30          3HB       ALA  30  14.636  -7.064  -5.409
  213   2HB   ALA  30          2HB       ALA  30  13.995  -6.136  -6.755
  214   3HB   ALA  30          1HB       ALA  30  15.084  -7.484  -7.054
  215    H    ILE  31           H        ILE  31  14.905  -3.873  -7.487
  216    HA   ILE  31           HA       ILE  31  15.608  -4.219 -10.175
  217    HB   ILE  31           HB       ILE  31  14.712  -1.888  -8.441
  218   1HG1  ILE  31          2HG1      ILE  31  13.366  -3.502 -10.637
  219   2HG1  ILE  31          1HG1      ILE  31  13.165  -3.771  -8.927
  220   1HG2  ILE  31          2HG2      ILE  31  16.026  -0.850 -10.272
  221   2HG2  ILE  31          1HG2      ILE  31  15.031  -1.695 -11.457
  222   3HG2  ILE  31          3HG2      ILE  31  14.327  -0.477 -10.401
  223   1HD1  ILE  31          2HD1      ILE  31  12.341  -1.201 -10.344
  224   2HD1  ILE  31          1HD1      ILE  31  11.265  -2.487  -9.844
  225   3HD1  ILE  31          3HD1      ILE  31  12.127  -1.554  -8.636
  226    H    ILE  32           H        ILE  32  17.123  -2.001  -7.819
  227    HA   ILE  32           HA       ILE  32  19.214  -1.117  -9.490
  228    HB   ILE  32           HB       ILE  32  19.222  -1.604  -6.465
  229   1HG1  ILE  32          2HG1      ILE  32  18.851   1.065  -7.873
  230   2HG1  ILE  32          1HG1      ILE  32  17.481   0.014  -7.665
  231   1HG2  ILE  32          3HG2      ILE  32  21.101   0.045  -8.225
  232   2HG2  ILE  32          2HG2      ILE  32  21.040   0.191  -6.477
  233   3HG2  ILE  32          1HG2      ILE  32  21.538  -1.319  -7.209
  234   1HD1  ILE  32          3HD1      ILE  32  18.008  -0.068  -5.170
  235   2HD1  ILE  32          2HD1      ILE  32  19.196   1.194  -5.452
  236   3HD1  ILE  32          1HD1      ILE  32  17.498   1.500  -5.768
  237    H    GLY  33           H        GLY  33  19.115  -3.881  -7.313
  238   1HA   GLY  33          2HA       GLY  33  21.718  -4.899  -7.721
  239   2HA   GLY  33          1HA       GLY  33  20.319  -5.922  -7.373
  240    H    LEU  34           H        LEU  34  18.778  -5.626  -9.559
  241    HA   LEU  34           HA       LEU  34  19.936  -7.343 -11.486
  242   1HB   LEU  34          2HB       LEU  34  17.554  -5.442 -11.684
  243   2HB   LEU  34          1HB       LEU  34  17.930  -6.616 -12.923
  244    HG   LEU  34           HG       LEU  34  17.657  -7.552 -10.043
  245   1HD1  LEU  34          1HD1      LEU  34  15.394  -6.859 -11.951
  246   2HD1  LEU  34          3HD1      LEU  34  15.196  -8.035 -10.663
  247   3HD1  LEU  34          2HD1      LEU  34  15.585  -6.374 -10.274
  248   1HD2  LEU  34          2HD2      LEU  34  18.501  -9.122 -11.793
  249   2HD2  LEU  34          1HD2      LEU  34  16.954  -9.642 -11.154
  250   3HD2  LEU  34          3HD2      LEU  34  17.035  -8.863 -12.726
  251    H    MET  35           H        MET  35  19.413  -3.847 -11.642
  252    HA   MET  35           HA       MET  35  20.438  -3.308 -14.199
  253   1HB   MET  35          2HB       MET  35  20.624  -1.661 -11.633
  254   2HB   MET  35          1HB       MET  35  21.086  -1.032 -13.199
  255   1HG   MET  35          2HG       MET  35  18.931  -0.918 -13.968
  256   2HG   MET  35          1HG       MET  35  18.391  -2.295 -13.054
  257   1HE   MET  35          3HE       MET  35  19.613   1.319 -12.804
  258   2HE   MET  35          2HE       MET  35  18.858   1.930 -11.332
  259   3HE   MET  35          1HE       MET  35  20.179   0.769 -11.225
  260    H    VAL  36           H        VAL  36  22.137  -3.409 -11.151
  261    HA   VAL  36           HA       VAL  36  24.782  -2.943 -12.056
  262    HB   VAL  36           HB       VAL  36  23.658  -4.476  -9.645
  263   1HG1  VAL  36          2HG1      VAL  36  26.568  -3.868 -10.333
  264   2HG1  VAL  36          1HG1      VAL  36  26.032  -4.209  -8.696
  265   3HG1  VAL  36          3HG1      VAL  36  25.863  -5.428  -9.941
  266   1HG2  VAL  36          1HG2      VAL  36  23.315  -1.976  -9.808
  267   2HG2  VAL  36          3HG2      VAL  36  24.260  -2.466  -8.415
  268   3HG2  VAL  36          2HG2      VAL  36  25.058  -1.778  -9.818
  269    H    GLY  37           H        GLY  37  23.137  -6.007 -11.406
  270   1HA   GLY  37          2HA       GLY  37  23.345  -7.695 -13.312
  271   2HA   GLY  37          1HA       GLY  37  25.086  -7.481 -13.123
  272    H    GLY  38           H        GLY  38  23.098  -9.752 -12.618
  273   1HA   GLY  38          2HA       GLY  38  22.957 -10.359  -9.846
  274   2HA   GLY  38          1HA       GLY  38  22.920 -11.557 -11.141
  275    H    VAL  39           H        VAL  39  25.388 -11.148 -12.261
  276    HA   VAL  39           HA       VAL  39  27.186 -12.287 -10.216
  277    HB   VAL  39           HB       VAL  39  27.776 -12.155 -13.210
  278   1HG1  VAL  39          3HG1      VAL  39  29.549 -12.995 -11.624
  279   2HG1  VAL  39          2HG1      VAL  39  28.440 -14.240 -11.077
  280   3HG1  VAL  39          1HG1      VAL  39  29.017 -14.241 -12.735
  281   1HG2  VAL  39          3HG2      VAL  39  25.926 -14.132 -11.808
  282   2HG2  VAL  39          2HG2      VAL  39  25.541 -13.113 -13.184
  283   3HG2  VAL  39          1HG2      VAL  39  26.658 -14.450 -13.372
  284    H    VAL  40           H        VAL  40  26.557  -9.524 -10.259
  285    HA   VAL  40           HA       VAL  40  29.275  -8.354 -10.590
  286    HB   VAL  40           HB       VAL  40  26.684  -6.942 -11.407
  287   1HG1  VAL  40          2HG1      VAL  40  29.614  -6.145 -11.716
  288   2HG1  VAL  40          1HG1      VAL  40  28.252  -5.244 -12.363
  289   3HG1  VAL  40          3HG1      VAL  40  28.457  -5.394 -10.629
  290   1HG2  VAL  40          1HG2      VAL  40  28.853  -8.217 -13.134
  291   2HG2  VAL  40          3HG2      VAL  40  27.164  -8.695 -13.056
  292   3HG2  VAL  40          2HG2      VAL  40  27.604  -7.148 -13.751
   
  No H/Q in entry =         292
  Start of MODEL    2
    1   1H    ASP   1          3H        ASP   1  17.905   5.427 -15.147
    2   2H    ASP   1          2H        ASP   1  17.685   3.838 -14.594
    3   3H    ASP   1          1H        ASP   1  18.073   4.125 -16.221
    4    HA   ASP   1           HA       ASP   1  15.964   4.242 -16.754
    5   1HB   ASP   1          2HB       ASP   1  15.475   2.628 -15.000
    6   2HB   ASP   1          1HB       ASP   1  15.575   3.853 -13.747
    7    H    ALA   2           H        ALA   2  14.802   5.908 -17.399
    8    HA   ALA   2           HA       ALA   2  15.006   8.508 -15.971
    9   1HB   ALA   2          2HB       ALA   2  14.259   7.654 -18.780
   10   2HB   ALA   2          1HB       ALA   2  13.924   9.287 -18.216
   11   3HB   ALA   2          3HB       ALA   2  15.578   8.694 -18.274
   12    H    GLU   3           H        GLU   3  13.657   7.101 -14.478
   13    HA   GLU   3           HA       GLU   3  11.686   6.678 -13.361
   14   1HB   GLU   3          2HB       GLU   3  11.157   9.314 -14.793
   15   2HB   GLU   3          1HB       GLU   3   9.917   8.630 -13.765
   16   1HG   GLU   3          2HG       GLU   3  12.775   9.105 -12.816
   17   2HG   GLU   3          1HG       GLU   3  11.474  10.257 -12.587
   18    H    PHE   4           H        PHE   4  11.998   5.260 -15.699
   19    HA   PHE   4           HA       PHE   4   9.194   4.903 -16.667
   20   1HB   PHE   4          2HB       PHE   4  11.859   4.203 -18.000
   21   2HB   PHE   4          1HB       PHE   4  10.294   3.826 -18.695
   22    HD1  PHE   4           HD2      PHE   4   8.755   6.349 -18.092
   23    HD2  PHE   4           HD1      PHE   4  12.765   5.807 -19.454
   24    HE1  PHE   4           HE2      PHE   4   8.705   8.561 -19.120
   25    HE2  PHE   4           HE1      PHE   4  12.703   8.031 -20.486
   26    HZ   PHE   4           HZ       PHE   4  10.676   9.414 -20.321
   27    H    ARG   5           H        ARG   5  10.469   3.903 -14.263
   28    HA   ARG   5           HA       ARG   5  10.150   0.950 -14.701
   29   1HB   ARG   5          2HB       ARG   5  12.381   2.220 -13.690
   30   2HB   ARG   5          1HB       ARG   5  11.516   1.965 -12.205
   31   1HG   ARG   5          2HG       ARG   5  12.047  -0.251 -14.238
   32   2HG   ARG   5          1HG       ARG   5  13.149   0.125 -12.932
   33   1HD   ARG   5          2HD       ARG   5  11.391  -0.394 -11.244
   34   2HD   ARG   5          1HD       ARG   5  10.226  -0.658 -12.535
   35    HE   ARG   5           HE       ARG   5  11.146  -2.761 -12.922
   36   1HH1  ARG   5          2HH1      ARG   5  13.312  -0.846 -11.004
   37   2HH1  ARG   5          1HH1      ARG   5  14.386  -2.171 -10.705
   38   1HH2  ARG   5          1HH2      ARG   5  12.497  -4.448 -12.539
   39   2HH2  ARG   5          2HH2      ARG   5  13.919  -4.231 -11.576
   40    H    HIS   6           H        HIS   6   8.020   2.505 -14.593
   41    HA   HIS   6           HA       HIS   6   6.069   3.134 -13.487
   42   1HB   HIS   6          2HB       HIS   6   4.980   1.103 -12.442
   43   2HB   HIS   6          1HB       HIS   6   5.728   0.748 -13.985
   44    HD1  HIS   6           HD1      HIS   6   6.836   0.578 -10.382
   45    HD2  HIS   6           HD2      HIS   6   7.303  -1.481 -13.875
   46    HE1  HIS   6           HE1      HIS   6   8.223  -1.393  -9.847
   47    H    ASP   7           H        ASP   7   8.412   3.858 -12.054
   48    HA   ASP   7           HA       ASP   7   8.578   3.531  -9.334
   49   1HB   ASP   7          2HB       ASP   7   8.901   6.380  -9.822
   50   2HB   ASP   7          1HB       ASP   7  10.141   5.172  -9.599
   51    H    SER   8           H        SER   8   7.237   3.598  -7.808
   52    HA   SER   8           HA       SER   8   5.441   5.796  -7.235
   53   1HB   SER   8          2HB       SER   8   4.381   3.031  -8.026
   54   2HB   SER   8          1HB       SER   8   3.422   4.140  -7.031
   55    HG   SER   8           HG       SER   8   3.014   5.205  -8.758
   56    H    GLY   9           H        GLY   9   4.313   5.385  -5.159
   57   1HA   GLY   9          2HA       GLY   9   4.670   3.450  -3.254
   58   2HA   GLY   9          1HA       GLY   9   6.201   4.335  -3.180
   59    H    TYR  10           H        TYR  10   2.709   4.884  -3.284
   60    HA   TYR  10           HA       TYR  10   2.777   6.633  -0.954
   61   1HB   TYR  10          2HB       TYR  10   1.868   8.650  -2.187
   62   2HB   TYR  10          1HB       TYR  10   3.502   8.255  -2.688
   63    HD1  TYR  10           HD1      TYR  10   3.920   7.228  -4.903
   64    HD2  TYR  10           HD2      TYR  10  -0.036   8.243  -3.695
   65    HE1  TYR  10           HE1      TYR  10   3.145   6.963  -7.211
   66    HE2  TYR  10           HE2      TYR  10  -0.805   7.981  -6.001
   67    HH   TYR  10           HH       TYR  10   0.176   6.489  -8.109
   68    H    GLU  11           H        GLU  11   0.604   7.615  -0.574
   69    HA   GLU  11           HA       GLU  11  -1.450   5.532  -0.868
   70   1HB   GLU  11          2HB       GLU  11  -1.116   6.575   1.324
   71   2HB   GLU  11          1HB       GLU  11  -1.389   8.169   0.657
   72   1HG   GLU  11          2HG       GLU  11  -3.585   6.132   0.242
   73   2HG   GLU  11          1HG       GLU  11  -3.358   6.720   1.875
   74    H    VAL  12           H        VAL  12  -2.846   5.553  -2.549
   75    HA   VAL  12           HA       VAL  12  -3.505   8.090  -3.900
   76    HB   VAL  12           HB       VAL  12  -2.604   6.845  -5.661
   77   1HG1  VAL  12          1HG1      VAL  12  -1.821   4.989  -4.046
   78   2HG1  VAL  12          3HG1      VAL  12  -3.340   4.191  -4.444
   79   3HG1  VAL  12          2HG1      VAL  12  -2.159   4.523  -5.696
   80   1HG2  VAL  12          3HG2      VAL  12  -5.039   6.785  -6.187
   81   2HG2  VAL  12          2HG2      VAL  12  -4.125   5.450  -6.864
   82   3HG2  VAL  12          1HG2      VAL  12  -5.098   5.188  -5.433
   83    H    HIS  13           H        HIS  13  -5.690   7.773  -4.862
   84    HA   HIS  13           HA       HIS  13  -7.626   7.218  -2.713
   85   1HB   HIS  13          2HB       HIS  13  -7.905   8.455  -5.486
   86   2HB   HIS  13          1HB       HIS  13  -9.265   8.252  -4.384
   87    HD1  HIS  13           HD1      HIS  13  -9.594  10.355  -3.122
   88    HD2  HIS  13           HD2      HIS  13  -5.610   9.793  -3.807
   89    HE1  HIS  13           HE1      HIS  13  -8.432  12.261  -2.068
   90    H    HIS  14           H        HIS  14  -6.250   5.026  -4.049
   91    HA   HIS  14           HA       HIS  14  -8.547   3.269  -4.571
   92   1HB   HIS  14          2HB       HIS  14  -6.266   3.585  -6.579
   93   2HB   HIS  14          1HB       HIS  14  -7.516   2.375  -6.694
   94    HD1  HIS  14           HD1      HIS  14 -10.028   3.472  -6.944
   95    HD2  HIS  14           HD2      HIS  14  -6.855   5.887  -7.629
   96    HE1  HIS  14           HE1      HIS  14 -10.924   5.411  -8.187
   97    H    GLN  15           H        GLN  15  -8.100   1.814  -2.985
   98    HA   GLN  15           HA       GLN  15  -5.562   1.309  -1.858
   99   1HB   GLN  15          2HB       GLN  15  -8.248   0.265  -1.567
  100   2HB   GLN  15          1HB       GLN  15  -7.164  -1.103  -1.646
  101   1HG   GLN  15          2HG       GLN  15  -6.585   1.265   0.186
  102   2HG   GLN  15          1HG       GLN  15  -7.598  -0.075   0.693
  103   1HE2  GLN  15          2HE2      GLN  15  -4.801  -1.980   1.589
  104   2HE2  GLN  15          1HE2      GLN  15  -6.422  -1.568   1.871
  105    H    LYS  16           H        LYS  16  -6.743   0.370  -4.872
  106    HA   LYS  16           HA       LYS  16  -5.271  -2.082  -5.208
  107   1HB   LYS  16          2HB       LYS  16  -7.386  -0.781  -6.527
  108   2HB   LYS  16          1HB       LYS  16  -6.070  -0.545  -7.651
  109   1HG   LYS  16          2HG       LYS  16  -7.053  -3.204  -6.547
  110   2HG   LYS  16          1HG       LYS  16  -7.246  -2.613  -8.188
  111   1HD   LYS  16          2HD       LYS  16  -4.621  -2.399  -8.145
  112   2HD   LYS  16          1HD       LYS  16  -4.724  -3.483  -6.769
  113   1HE   LYS  16          2HE       LYS  16  -4.410  -4.871  -8.756
  114   2HE   LYS  16          1HE       LYS  16  -6.074  -5.088  -8.235
  115   1HZ   LYS  16          2HZ       LYS  16  -5.961  -2.887  -9.959
  116   2HZ   LYS  16          1HZ       LYS  16  -5.138  -4.178 -10.693
  117   3HZ   LYS  16          3HZ       LYS  16  -6.747  -4.374 -10.187
  118    H    LEU  17           H        LEU  17  -5.034   1.160  -6.507
  119    HA   LEU  17           HA       LEU  17  -2.442   0.889  -7.673
  120   1HB   LEU  17          2HB       LEU  17  -3.843   3.339  -6.532
  121   2HB   LEU  17          1HB       LEU  17  -2.406   3.424  -7.530
  122    HG   LEU  17           HG       LEU  17  -5.252   3.128  -8.314
  123   1HD1  LEU  17          1HD1      LEU  17  -3.814   5.009  -9.024
  124   2HD1  LEU  17          3HD1      LEU  17  -2.759   3.895  -9.877
  125   3HD1  LEU  17          2HD1      LEU  17  -4.415   4.125 -10.413
  126   1HD2  LEU  17          2HD2      LEU  17  -3.249   1.316  -9.706
  127   2HD2  LEU  17          1HD2      LEU  17  -4.710   0.815  -8.861
  128   3HD2  LEU  17          3HD2      LEU  17  -4.832   1.747 -10.335
  129    H    VAL  18           H        VAL  18  -3.510   1.766  -4.431
  130    HA   VAL  18           HA       VAL  18  -1.104   2.600  -3.268
  131    HB   VAL  18           HB       VAL  18  -3.537   1.111  -2.220
  132   1HG1  VAL  18          1HG1      VAL  18  -1.035   1.771  -0.682
  133   2HG1  VAL  18          3HG1      VAL  18  -2.601   1.727   0.122
  134   3HG1  VAL  18          2HG1      VAL  18  -2.001   0.295  -0.686
  135   1HG2  VAL  18          3HG2      VAL  18  -2.465   3.925  -1.893
  136   2HG2  VAL  18          2HG2      VAL  18  -3.978   3.444  -2.652
  137   3HG2  VAL  18          1HG2      VAL  18  -3.790   3.313  -0.922
  138    H    PHE  19           H        PHE  19  -2.421  -0.700  -3.421
  139    HA   PHE  19           HA       PHE  19  -0.259  -2.085  -2.256
  140   1HB   PHE  19          2HB       PHE  19  -2.131  -2.994  -4.487
  141   2HB   PHE  19          1HB       PHE  19  -1.070  -4.073  -3.605
  142    HD1  PHE  19           HD2      PHE  19  -1.449  -2.939  -0.772
  143    HD2  PHE  19           HD1      PHE  19  -4.248  -3.806  -3.878
  144    HE1  PHE  19           HE2      PHE  19  -3.203  -3.267   0.893
  145    HE2  PHE  19           HE1      PHE  19  -5.998  -4.135  -2.196
  146    HZ   PHE  19           HZ       PHE  19  -5.481  -3.867   0.192
  147    H    PHE  20           H        PHE  20  -0.835  -1.375  -5.641
  148    HA   PHE  20           HA       PHE  20   1.494  -2.563  -6.714
  149   1HB   PHE  20          2HB       PHE  20   0.140  -1.895  -8.461
  150   2HB   PHE  20          1HB       PHE  20  -0.545  -0.562  -7.563
  151    HD1  PHE  20           HD1      PHE  20   2.478  -1.595  -9.491
  152    HD2  PHE  20           HD2      PHE  20   0.188   1.666  -7.979
  153    HE1  PHE  20           HE1      PHE  20   3.843  -0.034 -10.777
  154    HE2  PHE  20           HE2      PHE  20   1.548   3.226  -9.257
  155    HZ   PHE  20           HZ       PHE  20   3.391   2.392 -10.674
  156    H    ALA  21           H        ALA  21   0.984   0.802  -5.773
  157    HA   ALA  21           HA       ALA  21   3.567   1.825  -6.148
  158   1HB   ALA  21          1HB       ALA  21   1.328   3.019  -5.450
  159   2HB   ALA  21          3HB       ALA  21   1.801   2.649  -3.799
  160   3HB   ALA  21          2HB       ALA  21   2.814   3.674  -4.798
  161    H    GLU  22           H        GLU  22   2.289   0.276  -3.251
  162    HA   GLU  22           HA       GLU  22   4.580   0.591  -1.615
  163   1HB   GLU  22          2HB       GLU  22   2.436  -1.570  -1.735
  164   2HB   GLU  22          1HB       GLU  22   3.709  -1.628  -0.532
  165   1HG   GLU  22          2HG       GLU  22   3.029   0.453   0.455
  166   2HG   GLU  22          1HG       GLU  22   1.961   0.841  -0.884
  167    H    ASP  23           H        ASP  23   3.714  -2.131  -3.695
  168    HA   ASP  23           HA       ASP  23   5.971  -3.755  -3.364
  169   1HB   ASP  23          2HB       ASP  23   3.835  -4.138  -4.858
  170   2HB   ASP  23          1HB       ASP  23   4.711  -3.285  -6.092
  171    H    VAL  24           H        VAL  24   5.419  -1.273  -5.705
  172    HA   VAL  24           HA       VAL  24   7.871  -1.187  -7.042
  173    HB   VAL  24           HB       VAL  24   5.952   1.085  -6.399
  174   1HG1  VAL  24          1HG1      VAL  24   7.973   0.743  -8.602
  175   2HG1  VAL  24          3HG1      VAL  24   6.695   1.952  -8.566
  176   3HG1  VAL  24          2HG1      VAL  24   7.950   1.970  -7.333
  177   1HG2  VAL  24          3HG2      VAL  24   5.308  -1.299  -7.681
  178   2HG2  VAL  24          2HG2      VAL  24   4.482   0.233  -7.871
  179   3HG2  VAL  24          1HG2      VAL  24   5.716  -0.254  -9.019
  180    H    GLY  25           H        GLY  25   6.822   0.712  -4.310
  181   1HA   GLY  25          2HA       GLY  25   9.104   2.277  -3.833
  182   2HA   GLY  25          1HA       GLY  25   7.950   1.803  -2.588
  183    H    SER  26           H        SER  26   8.230  -0.755  -2.212
  184    HA   SER  26           HA       SER  26  10.595  -1.090  -0.706
  185   1HB   SER  26          2HB       SER  26   9.995  -3.717  -1.123
  186   2HB   SER  26          1HB       SER  26   8.957  -2.707  -0.115
  187    HG   SER  26           HG       SER  26   8.423  -3.848  -2.479
  188    H    ASN  27           H        ASN  27   9.876  -2.272  -3.951
  189    HA   ASN  27           HA       ASN  27  12.300  -3.564  -4.499
  190   1HB   ASN  27          2HB       ASN  27  10.130  -2.241  -6.118
  191   2HB   ASN  27          1HB       ASN  27  11.628  -2.528  -6.965
  192   1HD2  ASN  27          1HD2      ASN  27   8.684  -3.957  -6.092
  193   2HD2  ASN  27          2HD2      ASN  27   9.093  -5.577  -6.377
  194    H    LYS  28           H        LYS  28  11.466  -0.283  -5.427
  195    HA   LYS  28           HA       LYS  28  13.961   0.579  -6.400
  196   1HB   LYS  28          2HB       LYS  28  11.713   1.996  -4.924
  197   2HB   LYS  28          1HB       LYS  28  13.070   2.892  -5.587
  198   1HG   LYS  28          2HG       LYS  28  11.530   0.953  -7.352
  199   2HG   LYS  28          1HG       LYS  28  10.849   2.529  -7.016
  200   1HD   LYS  28          2HD       LYS  28  12.627   3.688  -8.081
  201   2HD   LYS  28          1HD       LYS  28  13.716   2.315  -7.987
  202   1HE   LYS  28          2HE       LYS  28  12.878   2.644 -10.300
  203   2HE   LYS  28          1HE       LYS  28  12.355   1.093  -9.664
  204   1HZ   LYS  28          2HZ       LYS  28  10.447   3.033  -8.990
  205   2HZ   LYS  28          1HZ       LYS  28  10.793   3.173 -10.646
  206   3HZ   LYS  28          3HZ       LYS  28  10.278   1.687 -10.010
  207    H    GLY  29           H        GLY  29  12.769   0.606  -3.049
  208   1HA   GLY  29          2HA       GLY  29  14.963   1.839  -1.787
  209   2HA   GLY  29          1HA       GLY  29  13.929   0.630  -1.025
  210    H    ALA  30           H        ALA  30  14.378  -1.642  -2.252
  211    HA   ALA  30           HA       ALA  30  16.888  -2.556  -1.286
  212   1HB   ALA  30          3HB       ALA  30  14.905  -4.039  -1.798
  213   2HB   ALA  30          2HB       ALA  30  15.193  -3.804  -3.513
  214   3HB   ALA  30          1HB       ALA  30  16.379  -4.650  -2.531
  215    H    ILE  31           H        ILE  31  15.920  -1.752  -4.558
  216    HA   ILE  31           HA       ILE  31  18.231  -2.333  -5.980
  217    HB   ILE  31           HB       ILE  31  15.917  -0.377  -6.186
  218   1HG1  ILE  31          2HG1      ILE  31  16.776  -2.748  -7.858
  219   2HG1  ILE  31          1HG1      ILE  31  15.578  -2.778  -6.593
  220   1HG2  ILE  31          1HG2      ILE  31  18.097  -0.475  -8.284
  221   2HG2  ILE  31          3HG2      ILE  31  16.545   0.343  -8.436
  222   3HG2  ILE  31          2HG2      ILE  31  17.702   0.899  -7.251
  223   1HD1  ILE  31          2HD1      ILE  31  14.308  -0.957  -7.937
  224   2HD1  ILE  31          1HD1      ILE  31  15.366  -1.396  -9.269
  225   3HD1  ILE  31          3HD1      ILE  31  14.289  -2.594  -8.568
  226    H    ILE  32           H        ILE  32  17.385   0.773  -4.491
  227    HA   ILE  32           HA       ILE  32  19.814   2.107  -5.033
  228    HB   ILE  32           HB       ILE  32  17.953   2.382  -2.610
  229   1HG1  ILE  32          2HG1      ILE  32  17.996   4.168  -5.070
  230   2HG1  ILE  32          1HG1      ILE  32  17.070   2.698  -5.090
  231   1HG2  ILE  32          1HG2      ILE  32  20.085   4.277  -3.703
  232   2HG2  ILE  32          3HG2      ILE  32  18.885   4.746  -2.510
  233   3HG2  ILE  32          2HG2      ILE  32  20.067   3.515  -2.121
  234   1HD1  ILE  32          2HD1      ILE  32  15.937   3.499  -2.926
  235   2HD1  ILE  32          1HD1      ILE  32  16.688   5.058  -3.227
  236   3HD1  ILE  32          3HD1      ILE  32  15.543   4.396  -4.380
  237    H    GLY  33           H        GLY  33  18.886   0.198  -2.217
  238   1HA   GLY  33          2HA       GLY  33  21.255   0.397  -0.707
  239   2HA   GLY  33          1HA       GLY  33  20.206  -1.023  -0.695
  240    H    LEU  34           H        LEU  34  20.443  -1.985  -3.206
  241    HA   LEU  34           HA       LEU  34  22.880  -3.417  -3.170
  242   1HB   LEU  34          2HB       LEU  34  20.878  -2.886  -5.413
  243   2HB   LEU  34          1HB       LEU  34  22.229  -3.976  -5.626
  244    HG   LEU  34           HG       LEU  34  20.372  -4.355  -3.250
  245   1HD1  LEU  34          3HD1      LEU  34  19.873  -5.223  -6.125
  246   2HD1  LEU  34          2HD1      LEU  34  19.097  -5.995  -4.749
  247   3HD1  LEU  34          1HD1      LEU  34  18.802  -4.300  -5.081
  248   1HD2  LEU  34          2HD2      LEU  34  22.056  -6.256  -4.949
  249   2HD2  LEU  34          1HD2      LEU  34  22.474  -5.677  -3.345
  250   3HD2  LEU  34          3HD2      LEU  34  21.089  -6.730  -3.564
  251    H    MET  35           H        MET  35  21.953  -0.644  -5.179
  252    HA   MET  35           HA       MET  35  24.311  -0.398  -6.693
  253   1HB   MET  35          2HB       MET  35  22.424   1.726  -5.580
  254   2HB   MET  35          1HB       MET  35  23.757   2.143  -6.634
  255   1HG   MET  35          2HG       MET  35  21.617   0.113  -7.332
  256   2HG   MET  35          1HG       MET  35  21.541   1.790  -7.788
  257   1HE   MET  35          1HE       MET  35  22.833   2.957  -9.435
  258   2HE   MET  35          3HE       MET  35  24.452   2.551  -8.868
  259   3HE   MET  35          2HE       MET  35  24.015   2.278 -10.553
  260    H    VAL  36           H        VAL  36  23.539   1.135  -3.657
  261    HA   VAL  36           HA       VAL  36  25.958   2.420  -3.063
  262    HB   VAL  36           HB       VAL  36  23.833   1.182  -1.230
  263   1HG1  VAL  36          2HG1      VAL  36  26.185   2.992  -0.517
  264   2HG1  VAL  36          1HG1      VAL  36  24.785   2.778   0.521
  265   3HG1  VAL  36          3HG1      VAL  36  25.821   1.412   0.159
  266   1HG2  VAL  36          3HG2      VAL  36  23.217   3.100  -2.819
  267   2HG2  VAL  36          2HG2      VAL  36  22.930   3.411  -1.118
  268   3HG2  VAL  36          1HG2      VAL  36  24.333   4.104  -1.913
  269    H    GLY  37           H        GLY  37  24.922  -0.796  -1.999
  270   1HA   GLY  37          2HA       GLY  37  27.767  -1.533  -1.414
  271   2HA   GLY  37          1HA       GLY  37  26.355  -2.270  -0.661
  272    H    GLY  38           H        GLY  38  27.536  -1.631  -3.946
  273   1HA   GLY  38          2HA       GLY  38  27.504  -4.477  -4.641
  274   2HA   GLY  38          1HA       GLY  38  26.260  -3.532  -5.456
  275    H    VAL  39           H        VAL  39  27.703  -1.138  -5.784
  276    HA   VAL  39           HA       VAL  39  29.393  -1.875  -8.050
  277    HB   VAL  39           HB       VAL  39  28.646   0.913  -7.003
  278   1HG1  VAL  39          1HG1      VAL  39  29.844  -0.128  -9.592
  279   2HG1  VAL  39          3HG1      VAL  39  28.875   1.334  -9.620
  280   3HG1  VAL  39          2HG1      VAL  39  30.325   1.270  -8.644
  281   1HG2  VAL  39          1HG2      VAL  39  26.594  -0.488  -7.485
  282   2HG2  VAL  39          3HG2      VAL  39  26.757   0.861  -8.592
  283   3HG2  VAL  39          2HG2      VAL  39  27.194  -0.760  -9.109
  284    H    VAL  40           H        VAL  40  30.229  -2.463  -5.375
  285    HA   VAL  40           HA       VAL  40  32.279  -0.711  -4.426
  286    HB   VAL  40           HB       VAL  40  31.959  -3.730  -4.035
  287   1HG1  VAL  40          2HG1      VAL  40  33.548  -1.646  -2.470
  288   2HG1  VAL  40          1HG1      VAL  40  33.236  -3.275  -1.892
  289   3HG1  VAL  40          3HG1      VAL  40  34.197  -3.029  -3.337
  290   1HG2  VAL  40          1HG2      VAL  40  30.883  -1.364  -2.435
  291   2HG2  VAL  40          3HG2      VAL  40  29.931  -2.549  -3.317
  292   3HG2  VAL  40          2HG2      VAL  40  30.824  -3.032  -1.887
   
  No H/Q in entry =         292
  Start of MODEL    3
    1   1H    ASP   1          2H        ASP   1 -22.287 -19.450  15.913
    2   2H    ASP   1          1H        ASP   1 -21.404 -20.546  16.862
    3   3H    ASP   1          3H        ASP   1 -21.215 -18.876  17.100
    4    HA   ASP   1           HA       ASP   1 -19.595 -18.801  15.642
    5   1HB   ASP   1          2HB       ASP   1 -20.230 -21.758  15.192
    6   2HB   ASP   1          1HB       ASP   1 -18.769 -20.961  14.628
    7    H    ALA   2           H        ALA   2 -19.221 -18.308  13.518
    8    HA   ALA   2           HA       ALA   2 -20.930 -19.181  11.340
    9   1HB   ALA   2          1HB       ALA   2 -21.160 -16.317  12.380
   10   2HB   ALA   2          3HB       ALA   2 -21.808 -16.861  10.839
   11   3HB   ALA   2          2HB       ALA   2 -22.449 -17.509  12.339
   12    H    GLU   3           H        GLU   3 -20.093 -18.633   9.367
   13    HA   GLU   3           HA       GLU   3 -17.279 -18.195   9.186
   14   1HB   GLU   3          2HB       GLU   3 -19.368 -17.813   6.994
   15   2HB   GLU   3          1HB       GLU   3 -17.646 -18.060   6.752
   16   1HG   GLU   3          2HG       GLU   3 -17.817 -20.321   7.802
   17   2HG   GLU   3          1HG       GLU   3 -19.543 -20.079   8.041
   18    H    PHE   4           H        PHE   4 -20.027 -16.106   8.736
   19    HA   PHE   4           HA       PHE   4 -20.332 -13.834   8.655
   20   1HB   PHE   4          2HB       PHE   4 -18.953 -14.011  10.828
   21   2HB   PHE   4          1HB       PHE   4 -17.542 -13.543   9.892
   22    HD1  PHE   4           HD1      PHE   4 -17.448 -11.287   8.814
   23    HD2  PHE   4           HD2      PHE   4 -20.734 -12.414  11.289
   24    HE1  PHE   4           HE1      PHE   4 -18.144  -8.942   8.962
   25    HE2  PHE   4           HE2      PHE   4 -21.423 -10.065  11.434
   26    HZ   PHE   4           HZ       PHE   4 -20.132  -8.324  10.271
   27    H    ARG   5           H        ARG   5 -20.392 -13.415   6.572
   28    HA   ARG   5           HA       ARG   5 -17.936 -12.325   5.305
   29   1HB   ARG   5          2HB       ARG   5 -18.908 -14.803   4.629
   30   2HB   ARG   5          1HB       ARG   5 -19.847 -13.826   3.524
   31   1HG   ARG   5          2HG       ARG   5 -17.912 -12.967   2.426
   32   2HG   ARG   5          1HG       ARG   5 -16.839 -13.422   3.734
   33   1HD   ARG   5          2HD       ARG   5 -18.306 -15.390   1.925
   34   2HD   ARG   5          1HD       ARG   5 -16.595 -14.979   1.811
   35    HE   ARG   5           HE       ARG   5 -16.870 -15.778   4.433
   36   1HH1  ARG   5          1HH1      ARG   5 -17.470 -18.803   1.929
   37   2HH1  ARG   5          2HH1      ARG   5 -17.680 -17.180   1.365
   38   1HH2  ARG   5          1HH2      ARG   5 -16.602 -17.816   5.162
   39   2HH2  ARG   5          2HH2      ARG   5 -16.853 -19.171   4.114
   40    H    HIS   6           H        HIS   6 -20.268 -11.190   6.581
   41    HA   HIS   6           HA       HIS   6 -21.755  -9.862   4.427
   42   1HB   HIS   6          2HB       HIS   6 -22.694 -10.653   6.761
   43   2HB   HIS   6          1HB       HIS   6 -21.967  -9.187   7.391
   44    HD1  HIS   6           HD1      HIS   6 -25.003  -9.499   7.311
   45    HD2  HIS   6           HD2      HIS   6 -22.952  -7.610   4.327
   46    HE1  HIS   6           HE1      HIS   6 -26.619  -8.017   6.185
   47    H    ASP   7           H        ASP   7 -19.078  -9.440   4.317
   48    HA   ASP   7           HA       ASP   7 -18.233  -6.971   5.543
   49   1HB   ASP   7          2HB       ASP   7 -16.389  -7.350   3.589
   50   2HB   ASP   7          1HB       ASP   7 -16.371  -8.301   5.058
   51    H    SER   8           H        SER   8 -20.027  -5.696   4.930
   52    HA   SER   8           HA       SER   8 -19.690  -4.368   2.321
   53   1HB   SER   8          2HB       SER   8 -22.381  -5.400   3.378
   54   2HB   SER   8          1HB       SER   8 -22.179  -4.397   1.932
   55    HG   SER   8           HG       SER   8 -21.594  -6.118   0.918
   56    H    GLY   9           H        GLY   9 -19.761  -2.245   2.511
   57   1HA   GLY   9          2HA       GLY   9 -21.295  -0.451   3.771
   58   2HA   GLY   9          1HA       GLY   9 -20.350  -1.032   5.147
   59    H    TYR  10           H        TYR  10 -17.917  -1.328   4.365
   60    HA   TYR  10           HA       TYR  10 -16.925   1.362   3.937
   61   1HB   TYR  10          2HB       TYR  10 -15.710  -0.145   5.441
   62   2HB   TYR  10          1HB       TYR  10 -15.519  -1.336   4.166
   63    HD1  TYR  10           HD2      TYR  10 -14.699   2.252   4.920
   64    HD2  TYR  10           HD1      TYR  10 -13.526  -1.304   2.888
   65    HE1  TYR  10           HE2      TYR  10 -12.610   3.328   4.238
   66    HE2  TYR  10           HE1      TYR  10 -11.440  -0.225   2.211
   67    HH   TYR  10           HH       TYR  10 -10.703   2.301   1.839
   68    H    GLU  11           H        GLU  11 -15.493   2.000   2.318
   69    HA   GLU  11           HA       GLU  11 -15.571   0.557  -0.286
   70   1HB   GLU  11          2HB       GLU  11 -17.309   2.541   0.046
   71   2HB   GLU  11          1HB       GLU  11 -15.912   3.582  -0.106
   72   1HG   GLU  11          2HG       GLU  11 -16.606   1.442  -2.176
   73   2HG   GLU  11          1HG       GLU  11 -17.210   3.085  -2.275
   74    H    VAL  12           H        VAL  12 -13.549   0.430  -1.102
   75    HA   VAL  12           HA       VAL  12 -11.296   1.333   0.314
   76    HB   VAL  12           HB       VAL  12  -9.999   0.582  -1.684
   77   1HG1  VAL  12          3HG1      VAL  12 -10.979  -1.037   0.038
   78   2HG1  VAL  12          2HG1      VAL  12 -12.257  -1.366  -1.120
   79   3HG1  VAL  12          1HG1      VAL  12 -10.586  -1.734  -1.523
   80   1HG2  VAL  12          3HG2      VAL  12 -11.652   1.407  -3.426
   81   2HG2  VAL  12          2HG2      VAL  12 -11.099  -0.234  -3.686
   82   3HG2  VAL  12          1HG2      VAL  12 -12.691   0.053  -3.008
   83    H    HIS  13           H        HIS  13  -9.623   2.508  -0.452
   84    HA   HIS  13           HA       HIS  13 -10.365   5.080  -1.827
   85   1HB   HIS  13          2HB       HIS  13  -8.465   4.525   0.498
   86   2HB   HIS  13          1HB       HIS  13  -8.426   6.035  -0.406
   87    HD1  HIS  13           HD1      HIS  13  -9.776   7.720   0.807
   88    HD2  HIS  13           HD2      HIS  13 -11.478   4.040   1.243
   89    HE1  HIS  13           HE1      HIS  13 -11.808   8.052   2.166
   90    H    HIS  14           H        HIS  14  -9.868   3.495  -3.591
   91    HA   HIS  14           HA       HIS  14  -8.559   2.750  -5.342
   92   1HB   HIS  14          2HB       HIS  14  -6.635   4.934  -4.545
   93   2HB   HIS  14          1HB       HIS  14  -7.044   4.437  -6.189
   94    HD1  HIS  14           HD1      HIS  14  -7.436   7.306  -4.634
   95    HD2  HIS  14           HD2      HIS  14 -10.368   4.754  -5.874
   96    HE1  HIS  14           HE1      HIS  14  -9.487   8.656  -4.843
   97    H    GLN  15           H        GLN  15  -8.136   1.646  -2.754
   98    HA   GLN  15           HA       GLN  15  -5.533   1.225  -1.900
   99   1HB   GLN  15          2HB       GLN  15  -7.994  -0.525  -1.959
  100   2HB   GLN  15          1HB       GLN  15  -6.494  -1.166  -1.316
  101   1HG   GLN  15          2HG       GLN  15  -6.357   0.513   0.394
  102   2HG   GLN  15          1HG       GLN  15  -7.578   1.516  -0.376
  103   1HE2  GLN  15          2HE2      GLN  15  -9.072  -1.937   1.263
  104   2HE2  GLN  15          1HE2      GLN  15  -7.699  -2.024   0.270
  105    H    LYS  16           H        LYS  16  -7.061  -0.156  -4.694
  106    HA   LYS  16           HA       LYS  16  -5.304  -2.266  -5.301
  107   1HB   LYS  16          2HB       LYS  16  -5.926  -1.771  -7.739
  108   2HB   LYS  16          1HB       LYS  16  -7.265  -2.015  -6.648
  109   1HG   LYS  16          2HG       LYS  16  -8.126  -0.057  -7.402
  110   2HG   LYS  16          1HG       LYS  16  -6.894   0.769  -6.489
  111   1HD   LYS  16          2HD       LYS  16  -6.487   1.654  -8.598
  112   2HD   LYS  16          1HD       LYS  16  -5.382   0.296  -8.639
  113   1HE   LYS  16          2HE       LYS  16  -7.251  -1.071  -9.730
  114   2HE   LYS  16          1HE       LYS  16  -8.173   0.422  -9.850
  115   1HZ   LYS  16          2HZ       LYS  16  -5.598   0.899 -10.822
  116   2HZ   LYS  16          1HZ       LYS  16  -6.178  -0.523 -11.546
  117   3HZ   LYS  16          3HZ       LYS  16  -7.071   0.917 -11.666
  118    H    LEU  17           H        LEU  17  -5.043   1.100  -6.373
  119    HA   LEU  17           HA       LEU  17  -2.453   0.740  -7.584
  120   1HB   LEU  17          2HB       LEU  17  -2.648   2.966  -8.205
  121   2HB   LEU  17          1HB       LEU  17  -4.322   2.625  -7.867
  122    HG   LEU  17           HG       LEU  17  -3.833   3.536  -5.463
  123   1HD1  LEU  17          3HD1      LEU  17  -1.210   3.919  -6.749
  124   2HD1  LEU  17          2HD1      LEU  17  -1.858   5.461  -6.233
  125   3HD1  LEU  17          1HD1      LEU  17  -1.653   4.168  -5.073
  126   1HD2  LEU  17          3HD2      LEU  17  -5.169   4.670  -7.298
  127   2HD2  LEU  17          2HD2      LEU  17  -4.379   5.786  -6.197
  128   3HD2  LEU  17          1HD2      LEU  17  -3.697   5.489  -7.790
  129    H    VAL  18           H        VAL  18  -3.540   1.745  -4.364
  130    HA   VAL  18           HA       VAL  18  -1.106   2.677  -3.306
  131    HB   VAL  18           HB       VAL  18  -3.317   1.050  -1.941
  132   1HG1  VAL  18          2HG1      VAL  18  -0.814   2.136  -0.900
  133   2HG1  VAL  18          1HG1      VAL  18  -2.210   2.816  -0.079
  134   3HG1  VAL  18          3HG1      VAL  18  -1.998   1.077  -0.143
  135   1HG2  VAL  18          3HG2      VAL  18  -4.051   3.207  -3.080
  136   2HG2  VAL  18          2HG2      VAL  18  -4.268   3.234  -1.342
  137   3HG2  VAL  18          1HG2      VAL  18  -2.910   4.074  -2.073
  138    H    PHE  19           H        PHE  19  -2.370  -0.627  -3.389
  139    HA   PHE  19           HA       PHE  19  -0.181  -1.990  -2.218
  140   1HB   PHE  19          2HB       PHE  19  -1.944  -3.029  -4.484
  141   2HB   PHE  19          1HB       PHE  19  -1.035  -4.010  -3.351
  142    HD1  PHE  19           HD2      PHE  19  -1.689  -2.484  -0.767
  143    HD2  PHE  19           HD1      PHE  19  -4.154  -3.731  -4.019
  144    HE1  PHE  19           HE2      PHE  19  -3.628  -2.535   0.718
  145    HE2  PHE  19           HE1      PHE  19  -6.092  -3.779  -2.521
  146    HZ   PHE  19           HZ       PHE  19  -5.835  -3.183  -0.149
  147    H    PHE  20           H        PHE  20  -0.845  -1.301  -5.601
  148    HA   PHE  20           HA       PHE  20   1.454  -2.425  -6.764
  149   1HB   PHE  20          2HB       PHE  20   0.167  -1.659  -8.511
  150   2HB   PHE  20          1HB       PHE  20  -0.633  -0.478  -7.511
  151    HD1  PHE  20           HD2      PHE  20   2.613  -1.038  -9.298
  152    HD2  PHE  20           HD1      PHE  20  -0.234   1.835  -7.940
  153    HE1  PHE  20           HE2      PHE  20   3.829   0.733 -10.456
  154    HE2  PHE  20           HE1      PHE  20   0.983   3.592  -9.088
  155    HZ   PHE  20           HZ       PHE  20   3.028   3.060 -10.361
  156    H    ALA  21           H        ALA  21   1.013   0.913  -5.700
  157    HA   ALA  21           HA       ALA  21   3.617   1.895  -6.083
  158   1HB   ALA  21          1HB       ALA  21   1.448   3.142  -5.357
  159   2HB   ALA  21          3HB       ALA  21   1.889   2.710  -3.713
  160   3HB   ALA  21          2HB       ALA  21   2.958   3.719  -4.674
  161    H    GLU  22           H        GLU  22   2.311   0.355  -3.196
  162    HA   GLU  22           HA       GLU  22   4.626   0.561  -1.571
  163   1HB   GLU  22          2HB       GLU  22   2.433  -1.573  -1.688
  164   2HB   GLU  22          1HB       GLU  22   3.670  -1.579  -0.446
  165   1HG   GLU  22          2HG       GLU  22   2.929   0.494   0.483
  166   2HG   GLU  22          1HG       GLU  22   1.979   0.901  -0.936
  167    H    ASP  23           H        ASP  23   3.654  -2.050  -3.752
  168    HA   ASP  23           HA       ASP  23   5.852  -3.763  -3.439
  169   1HB   ASP  23          2HB       ASP  23   3.685  -3.981  -4.968
  170   2HB   ASP  23          1HB       ASP  23   4.672  -3.220  -6.180
  171    H    VAL  24           H        VAL  24   5.384  -1.223  -5.751
  172    HA   VAL  24           HA       VAL  24   7.799  -1.162  -7.122
  173    HB   VAL  24           HB       VAL  24   5.978   1.141  -6.271
  174   1HG1  VAL  24          3HG1      VAL  24   8.033   0.991  -8.449
  175   2HG1  VAL  24          2HG1      VAL  24   6.688   2.132  -8.462
  176   3HG1  VAL  24          1HG1      VAL  24   7.859   2.186  -7.157
  177   1HG2  VAL  24          3HG2      VAL  24   5.275  -1.113  -7.726
  178   2HG2  VAL  24          2HG2      VAL  24   4.484   0.448  -7.793
  179   3HG2  VAL  24          1HG2      VAL  24   5.700   0.021  -8.989
  180    H    GLY  25           H        GLY  25   6.931   0.617  -4.254
  181   1HA   GLY  25          2HA       GLY  25   9.368   1.943  -3.693
  182   2HA   GLY  25          1HA       GLY  25   8.183   1.492  -2.469
  183    H    SER  26           H        SER  26   8.191  -1.104  -2.350
  184    HA   SER  26           HA       SER  26  10.401  -1.885  -0.829
  185   1HB   SER  26          2HB       SER  26   8.664  -3.798  -2.484
  186   2HB   SER  26          1HB       SER  26   9.519  -4.174  -0.981
  187    HG   SER  26           HG       SER  26   7.143  -2.995  -1.318
  188    H    ASN  27           H        ASN  27   9.760  -2.688  -4.179
  189    HA   ASN  27           HA       ASN  27  12.086  -4.110  -4.767
  190   1HB   ASN  27          2HB       ASN  27  10.146  -2.435  -6.403
  191   2HB   ASN  27          1HB       ASN  27  11.526  -3.152  -7.196
  192   1HD2  ASN  27          2HD2      ASN  27   8.789  -5.741  -5.514
  193   2HD2  ASN  27          1HD2      ASN  27   9.164  -4.297  -4.705
  194    H    LYS  28           H        LYS  28  11.630  -0.695  -5.640
  195    HA   LYS  28           HA       LYS  28  14.329  -0.284  -6.465
  196   1HB   LYS  28          2HB       LYS  28  13.901   2.143  -6.083
  197   2HB   LYS  28          1HB       LYS  28  12.567   1.374  -6.916
  198   1HG   LYS  28          2HG       LYS  28  11.309   1.233  -4.788
  199   2HG   LYS  28          1HG       LYS  28  12.623   2.020  -3.935
  200   1HD   LYS  28          2HD       LYS  28  11.183   3.819  -4.388
  201   2HD   LYS  28          1HD       LYS  28  12.316   3.937  -5.719
  202   1HE   LYS  28          2HE       LYS  28  10.735   2.769  -7.214
  203   2HE   LYS  28          1HE       LYS  28   9.648   2.462  -5.868
  204   1HZ   LYS  28          3HZ       LYS  28  10.181   5.198  -5.945
  205   2HZ   LYS  28          2HZ       LYS  28   9.765   4.698  -7.513
  206   3HZ   LYS  28          1HZ       LYS  28   8.711   4.391  -6.217
  207    H    GLY  29           H        GLY  29  12.879  -0.133  -3.217
  208   1HA   GLY  29          2HA       GLY  29  15.075   0.918  -1.796
  209   2HA   GLY  29          1HA       GLY  29  13.879  -0.198  -1.124
  210    H    ALA  30           H        ALA  30  14.210  -2.510  -2.291
  211    HA   ALA  30           HA       ALA  30  16.554  -3.644  -1.172
  212   1HB   ALA  30          2HB       ALA  30  14.523  -4.965  -1.784
  213   2HB   ALA  30          1HB       ALA  30  14.863  -4.708  -3.486
  214   3HB   ALA  30          3HB       ALA  30  15.958  -5.675  -2.508
  215    H    ILE  31           H        ILE  31  15.888  -2.739  -4.496
  216    HA   ILE  31           HA       ILE  31  18.256  -3.554  -5.723
  217    HB   ILE  31           HB       ILE  31  16.138  -1.408  -6.142
  218   1HG1  ILE  31          2HG1      ILE  31  16.874  -3.901  -7.703
  219   2HG1  ILE  31          1HG1      ILE  31  15.622  -3.804  -6.496
  220   1HG2  ILE  31          1HG2      ILE  31  18.453  -1.792  -8.058
  221   2HG2  ILE  31          3HG2      ILE  31  16.989  -0.874  -8.390
  222   3HG2  ILE  31          2HG2      ILE  31  18.075  -0.340  -7.131
  223   1HD1  ILE  31          3HD1      ILE  31  14.601  -1.889  -7.956
  224   2HD1  ILE  31          2HD1      ILE  31  15.629  -2.528  -9.231
  225   3HD1  ILE  31          1HD1      ILE  31  14.406  -3.546  -8.493
  226    H    ILE  32           H        ILE  32  17.538  -0.319  -4.432
  227    HA   ILE  32           HA       ILE  32  20.129   0.743  -4.780
  228    HB   ILE  32           HB       ILE  32  18.069   1.327  -2.582
  229   1HG1  ILE  32          2HG1      ILE  32  18.533   2.973  -5.095
  230   2HG1  ILE  32          1HG1      ILE  32  17.494   1.579  -5.165
  231   1HG2  ILE  32          1HG2      ILE  32  20.499   2.918  -3.526
  232   2HG2  ILE  32          3HG2      ILE  32  19.227   3.613  -2.537
  233   3HG2  ILE  32          2HG2      ILE  32  20.201   2.300  -1.910
  234   1HD1  ILE  32          2HD1      ILE  32  16.169   2.545  -3.213
  235   2HD1  ILE  32          1HD1      ILE  32  17.110   4.018  -3.398
  236   3HD1  ILE  32          3HD1      ILE  32  16.073   3.470  -4.702
  237    H    GLY  33           H        GLY  33  18.759  -1.109  -2.139
  238   1HA   GLY  33          2HA       GLY  33  20.863  -0.991  -0.289
  239   2HA   GLY  33          1HA       GLY  33  19.775  -2.367  -0.459
  240    H    LEU  34           H        LEU  34  20.391  -3.480  -2.821
  241    HA   LEU  34           HA       LEU  34  22.867  -4.799  -2.263
  242   1HB   LEU  34          2HB       LEU  34  22.386  -6.153  -4.130
  243   2HB   LEU  34          1HB       LEU  34  20.808  -5.561  -3.695
  244    HG   LEU  34           HG       LEU  34  21.462  -3.643  -5.501
  245   1HD1  LEU  34          1HD1      LEU  34  22.980  -6.132  -6.405
  246   2HD1  LEU  34          3HD1      LEU  34  22.619  -4.759  -7.436
  247   3HD1  LEU  34          2HD1      LEU  34  23.687  -4.562  -6.064
  248   1HD2  LEU  34          2HD2      LEU  34  19.492  -5.300  -5.457
  249   2HD2  LEU  34          1HD2      LEU  34  20.030  -4.783  -7.045
  250   3HD2  LEU  34          3HD2      LEU  34  20.490  -6.362  -6.431
  251    H    MET  35           H        MET  35  22.130  -2.123  -4.454
  252    HA   MET  35           HA       MET  35  24.658  -1.981  -5.757
  253   1HB   MET  35          2HB       MET  35  22.633   0.197  -5.062
  254   2HB   MET  35          1HB       MET  35  24.022   0.477  -6.090
  255   1HG   MET  35          2HG       MET  35  23.148  -0.690  -7.846
  256   2HG   MET  35          1HG       MET  35  22.369  -1.876  -6.841
  257   1HE   MET  35          2HE       MET  35  22.338   1.767  -7.924
  258   2HE   MET  35          1HE       MET  35  20.645   2.247  -7.845
  259   3HE   MET  35          3HE       MET  35  21.564   2.022  -6.359
  260    H    VAL  36           H        VAL  36  23.442  -0.261  -2.964
  261    HA   VAL  36           HA       VAL  36  25.710   1.173  -2.167
  262    HB   VAL  36           HB       VAL  36  23.339   0.024  -0.610
  263   1HG1  VAL  36          1HG1      VAL  36  25.584   1.824   0.408
  264   2HG1  VAL  36          3HG1      VAL  36  24.020   1.711   1.200
  265   3HG1  VAL  36          2HG1      VAL  36  25.050   0.297   1.094
  266   1HG2  VAL  36          2HG2      VAL  36  23.081   1.907  -2.376
  267   2HG2  VAL  36          1HG2      VAL  36  22.446   2.244  -0.776
  268   3HG2  VAL  36          3HG2      VAL  36  23.988   2.922  -1.271
  269    H    GLY  37           H        GLY  37  24.681  -2.061  -1.167
  270   1HA   GLY  37          2HA       GLY  37  26.574  -2.770   0.711
  271   2HA   GLY  37          1HA       GLY  37  25.902  -3.908  -0.448
  272    H    GLY  38           H        GLY  38  27.115  -2.403  -2.713
  273   1HA   GLY  38          2HA       GLY  38  29.169  -2.137  -3.821
  274   2HA   GLY  38          1HA       GLY  38  30.015  -2.608  -2.347
  275    H    VAL  39           H        VAL  39  27.395  -4.426  -3.787
  276    HA   VAL  39           HA       VAL  39  29.108  -6.775  -4.006
  277    HB   VAL  39           HB       VAL  39  26.188  -6.672  -4.898
  278   1HG1  VAL  39          1HG1      VAL  39  27.861  -8.770  -3.435
  279   2HG1  VAL  39          3HG1      VAL  39  26.185  -8.972  -3.914
  280   3HG1  VAL  39          2HG1      VAL  39  27.431  -8.822  -5.136
  281   1HG2  VAL  39          1HG2      VAL  39  27.190  -6.650  -2.013
  282   2HG2  VAL  39          3HG2      VAL  39  26.088  -5.503  -2.755
  283   3HG2  VAL  39          2HG2      VAL  39  25.566  -7.148  -2.461
  284    H    VAL  40           H        VAL  40  29.386  -4.425  -5.725
  285    HA   VAL  40           HA       VAL  40  28.593  -5.029  -8.419
  286    HB   VAL  40           HB       VAL  40  30.892  -3.262  -7.438
  287   1HG1  VAL  40          2HG1      VAL  40  29.355  -3.342 -10.075
  288   2HG1  VAL  40          1HG1      VAL  40  30.436  -2.036  -9.612
  289   3HG1  VAL  40          3HG1      VAL  40  31.069  -3.654  -9.847
  290   1HG2  VAL  40          2HG2      VAL  40  27.943  -2.638  -7.894
  291   2HG2  VAL  40          1HG2      VAL  40  28.812  -2.546  -6.370
  292   3HG2  VAL  40          3HG2      VAL  40  29.177  -1.412  -7.656
   
  No H/Q in entry =         292
  Start of MODEL    4
    1   1H    ASP   1          1H        ASP   1 -10.537  -6.930 -19.811
    2   2H    ASP   1          3H        ASP   1 -11.131  -5.404 -19.366
    3   3H    ASP   1          2H        ASP   1  -9.553  -5.860 -18.934
    4    HA   ASP   1           HA       ASP   1 -10.262  -6.700 -17.051
    5   1HB   ASP   1          2HB       ASP   1 -12.601  -6.309 -16.352
    6   2HB   ASP   1          1HB       ASP   1 -12.042  -4.919 -17.262
    7    H    ALA   2           H        ALA   2 -11.683  -8.392 -16.015
    8    HA   ALA   2           HA       ALA   2 -12.211 -10.681 -17.875
    9   1HB   ALA   2          3HB       ALA   2 -10.059 -10.930 -16.594
   10   2HB   ALA   2          2HB       ALA   2 -10.965 -10.812 -15.093
   11   3HB   ALA   2          1HB       ALA   2 -11.228 -12.172 -16.175
   12    H    GLU   3           H        GLU   3 -13.992  -8.734 -16.890
   13    HA   GLU   3           HA       GLU   3 -16.094  -8.480 -15.941
   14   1HB   GLU   3          2HB       GLU   3 -16.195 -10.724 -17.416
   15   2HB   GLU   3          1HB       GLU   3 -16.404 -11.515 -15.872
   16   1HG   GLU   3          2HG       GLU   3 -18.143  -9.230 -16.930
   17   2HG   GLU   3          1HG       GLU   3 -18.590 -10.925 -16.942
   18    H    PHE   4           H        PHE   4 -14.703  -7.858 -14.099
   19    HA   PHE   4           HA       PHE   4 -15.755  -8.987 -11.639
   20   1HB   PHE   4          2HB       PHE   4 -13.832 -10.555 -12.129
   21   2HB   PHE   4          1HB       PHE   4 -12.742  -9.182 -12.182
   22    HD1  PHE   4           HD1      PHE   4 -15.125 -10.999  -9.946
   23    HD2  PHE   4           HD2      PHE   4 -11.817  -8.318 -10.157
   24    HE1  PHE   4           HE1      PHE   4 -14.854 -11.133  -7.512
   25    HE2  PHE   4           HE2      PHE   4 -11.553  -8.456  -7.724
   26    HZ   PHE   4           HZ       PHE   4 -13.069  -9.864  -6.396
   27    H    ARG   5           H        ARG   5 -16.518  -6.955 -11.336
   28    HA   ARG   5           HA       ARG   5 -14.656  -5.004 -10.225
   29   1HB   ARG   5          2HB       ARG   5 -15.361  -4.800 -12.990
   30   2HB   ARG   5          1HB       ARG   5 -16.348  -3.589 -12.207
   31   1HG   ARG   5          2HG       ARG   5 -14.258  -2.707 -11.077
   32   2HG   ARG   5          1HG       ARG   5 -13.321  -3.870 -11.997
   33   1HD   ARG   5          2HD       ARG   5 -13.247  -1.778 -13.226
   34   2HD   ARG   5          1HD       ARG   5 -14.326  -2.844 -14.123
   35    HE   ARG   5           HE       ARG   5 -15.842  -1.338 -12.216
   36   1HH1  ARG   5          2HH1      ARG   5 -14.100  -1.006 -15.194
   37   2HH1  ARG   5          1HH1      ARG   5 -15.056   0.329 -15.739
   38   1HH2  ARG   5          1HH2      ARG   5 -17.068   0.351 -12.885
   39   2HH2  ARG   5          2HH2      ARG   5 -16.765   1.112 -14.412
   40    H    HIS   6           H        HIS   6 -16.904  -6.617  -9.434
   41    HA   HIS   6           HA       HIS   6 -18.311  -4.658  -7.831
   42   1HB   HIS   6          2HB       HIS   6 -19.520  -4.848 -10.205
   43   2HB   HIS   6          1HB       HIS   6 -20.107  -6.388  -9.603
   44    HD1  HIS   6           HD1      HIS   6 -20.906  -5.742  -6.808
   45    HD2  HIS   6           HD2      HIS   6 -21.532  -3.048  -9.810
   46    HE1  HIS   6           HE1      HIS   6 -22.690  -4.232  -6.023
   47    H    ASP   7           H        ASP   7 -16.626  -6.547  -7.077
   48    HA   ASP   7           HA       ASP   7 -17.696  -9.102  -6.462
   49   1HB   ASP   7          2HB       ASP   7 -15.740  -9.252  -4.955
   50   2HB   ASP   7          1HB       ASP   7 -15.288  -8.558  -6.498
   51    H    SER   8           H        SER   8 -18.759  -9.877  -4.726
   52    HA   SER   8           HA       SER   8 -20.335  -8.077  -3.125
   53   1HB   SER   8          2HB       SER   8 -21.121 -10.373  -3.846
   54   2HB   SER   8          1HB       SER   8 -19.920 -11.101  -2.769
   55    HG   SER   8           HG       SER   8 -21.215 -10.686  -1.189
   56    H    GLY   9           H        GLY   9 -18.675  -6.834  -2.178
   57   1HA   GLY   9          2HA       GLY   9 -18.124  -7.047   0.458
   58   2HA   GLY   9          1HA       GLY   9 -16.825  -8.023  -0.229
   59    H    TYR  10           H        TYR  10 -17.418  -5.817  -2.552
   60    HA   TYR  10           HA       TYR  10 -15.023  -4.383  -2.240
   61   1HB   TYR  10          2HB       TYR  10 -16.366  -4.538  -4.380
   62   2HB   TYR  10          1HB       TYR  10 -17.527  -3.416  -3.698
   63    HD1  TYR  10           HD2      TYR  10 -16.848  -1.048  -3.219
   64    HD2  TYR  10           HD1      TYR  10 -14.168  -3.750  -5.139
   65    HE1  TYR  10           HE2      TYR  10 -15.452   0.830  -3.918
   66    HE2  TYR  10           HE1      TYR  10 -12.779  -1.864  -5.836
   67    HH   TYR  10           HH       TYR  10 -12.819   1.039  -4.532
   68    H    GLU  11           H        GLU  11 -14.480  -2.483  -1.403
   69    HA   GLU  11           HA       GLU  11 -16.313  -0.534  -0.310
   70   1HB   GLU  11          2HB       GLU  11 -15.574  -0.837   2.101
   71   2HB   GLU  11          1HB       GLU  11 -16.545  -2.163   1.503
   72   1HG   GLU  11          2HG       GLU  11 -14.272  -3.336   0.929
   73   2HG   GLU  11          1HG       GLU  11 -13.532  -2.099   1.930
   74    H    VAL  12           H        VAL  12 -13.329  -1.524  -1.391
   75    HA   VAL  12           HA       VAL  12 -11.653   0.441  -0.133
   76    HB   VAL  12           HB       VAL  12 -10.002  -0.256  -1.921
   77   1HG1  VAL  12          2HG1      VAL  12 -10.157  -1.513   0.206
   78   2HG1  VAL  12          1HG1      VAL  12 -11.363  -2.575  -0.508
   79   3HG1  VAL  12          3HG1      VAL  12  -9.720  -2.561  -1.130
   80   1HG2  VAL  12          2HG2      VAL  12 -12.255  -2.070  -2.873
   81   2HG2  VAL  12          1HG2      VAL  12 -11.581  -0.706  -3.756
   82   3HG2  VAL  12          3HG2      VAL  12 -10.594  -2.116  -3.436
   83    H    HIS  13           H        HIS  13 -10.271   1.647  -1.761
   84    HA   HIS  13           HA       HIS  13 -11.700   3.127  -3.864
   85   1HB   HIS  13          2HB       HIS  13 -12.335   4.343  -1.752
   86   2HB   HIS  13          1HB       HIS  13 -10.631   4.529  -1.350
   87    HD1  HIS  13           HD1      HIS  13  -9.469   6.453  -2.511
   88    HD2  HIS  13           HD2      HIS  13 -13.173   5.823  -4.109
   89    HE1  HIS  13           HE1      HIS  13  -9.902   8.348  -4.032
   90    H    HIS  14           H        HIS  14 -10.187   2.244  -5.132
   91    HA   HIS  14           HA       HIS  14  -8.237   1.992  -6.305
   92   1HB   HIS  14          2HB       HIS  14  -7.367   4.553  -4.946
   93   2HB   HIS  14          1HB       HIS  14  -6.922   4.023  -6.568
   94    HD1  HIS  14           HD1      HIS  14  -8.602   6.654  -5.674
   95    HD2  HIS  14           HD2      HIS  14 -10.096   3.349  -7.542
   96    HE1  HIS  14           HE1      HIS  14 -10.675   7.369  -6.795
   97    H    GLN  15           H        GLN  15  -8.409   0.922  -3.609
   98    HA   GLN  15           HA       GLN  15  -5.977   1.084  -2.156
   99   1HB   GLN  15          2HB       GLN  15  -7.907  -0.058  -1.208
  100   2HB   GLN  15          1HB       GLN  15  -7.992  -1.179  -2.552
  101   1HG   GLN  15          2HG       GLN  15  -5.407  -1.158  -1.027
  102   2HG   GLN  15          1HG       GLN  15  -6.809  -1.760  -0.155
  103   1HE2  GLN  15          2HE2      GLN  15  -5.164  -4.025  -3.083
  104   2HE2  GLN  15          1HE2      GLN  15  -4.521  -2.509  -2.671
  105    H    LYS  16           H        LYS  16  -6.930  -0.705  -4.975
  106    HA   LYS  16           HA       LYS  16  -4.803  -2.473  -5.286
  107   1HB   LYS  16          2HB       LYS  16  -6.823  -2.435  -6.746
  108   2HB   LYS  16          1HB       LYS  16  -6.307  -0.914  -7.441
  109   1HG   LYS  16          2HG       LYS  16  -5.788  -2.893  -8.897
  110   2HG   LYS  16          1HG       LYS  16  -4.360  -1.970  -8.480
  111   1HD   LYS  16          2HD       LYS  16  -3.606  -3.587  -6.911
  112   2HD   LYS  16          1HD       LYS  16  -5.187  -4.332  -6.768
  113   1HE   LYS  16          2HE       LYS  16  -3.558  -4.382  -9.349
  114   2HE   LYS  16          1HE       LYS  16  -3.499  -5.664  -8.148
  115   1HZ   LYS  16          3HZ       LYS  16  -6.180  -5.096  -8.682
  116   2HZ   LYS  16          2HZ       LYS  16  -5.378  -5.271 -10.168
  117   3HZ   LYS  16          1HZ       LYS  16  -5.312  -6.516  -9.016
  118    H    LEU  17           H        LEU  17  -4.962   0.881  -6.486
  119    HA   LEU  17           HA       LEU  17  -2.300   0.823  -7.572
  120   1HB   LEU  17          2HB       LEU  17  -2.788   2.953  -8.286
  121   2HB   LEU  17          1HB       LEU  17  -4.410   2.497  -7.844
  122    HG   LEU  17           HG       LEU  17  -3.998   3.552  -5.577
  123   1HD1  LEU  17          2HD1      LEU  17  -1.321   3.958  -6.782
  124   2HD1  LEU  17          1HD1      LEU  17  -2.009   5.497  -6.322
  125   3HD1  LEU  17          3HD1      LEU  17  -1.817   4.238  -5.125
  126   1HD2  LEU  17          2HD2      LEU  17  -5.190   4.595  -7.630
  127   2HD2  LEU  17          1HD2      LEU  17  -4.631   5.719  -6.402
  128   3HD2  LEU  17          3HD2      LEU  17  -3.719   5.509  -7.890
  129    H    VAL  18           H        VAL  18  -3.619   1.868  -4.438
  130    HA   VAL  18           HA       VAL  18  -1.293   2.949  -3.279
  131    HB   VAL  18           HB       VAL  18  -3.689   1.405  -2.171
  132   1HG1  VAL  18          2HG1      VAL  18  -1.356   2.515  -0.643
  133   2HG1  VAL  18          1HG1      VAL  18  -2.972   2.510   0.061
  134   3HG1  VAL  18          3HG1      VAL  18  -2.230   1.000  -0.427
  135   1HG2  VAL  18          1HG2      VAL  18  -4.084   3.651  -3.171
  136   2HG2  VAL  18          3HG2      VAL  18  -4.424   3.636  -1.451
  137   3HG2  VAL  18          2HG2      VAL  18  -2.931   4.348  -2.044
  138    H    PHE  19           H        PHE  19  -2.416  -0.390  -3.238
  139    HA   PHE  19           HA       PHE  19  -0.226  -1.615  -1.929
  140   1HB   PHE  19          2HB       PHE  19  -2.368  -2.563  -3.850
  141   2HB   PHE  19          1HB       PHE  19  -1.068  -3.660  -3.426
  142    HD1  PHE  19           HD1      PHE  19  -2.567  -1.123  -1.088
  143    HD2  PHE  19           HD2      PHE  19  -2.315  -5.245  -2.170
  144    HE1  PHE  19           HE1      PHE  19  -3.719  -1.738   0.972
  145    HE2  PHE  19           HE2      PHE  19  -3.474  -5.848  -0.099
  146    HZ   PHE  19           HZ       PHE  19  -4.179  -4.099   1.478
  147    H    PHE  20           H        PHE  20  -0.859  -1.154  -5.364
  148    HA   PHE  20           HA       PHE  20   1.412  -2.326  -6.475
  149   1HB   PHE  20          2HB       PHE  20   0.037  -1.625  -8.187
  150   2HB   PHE  20          1HB       PHE  20  -0.626  -0.316  -7.250
  151    HD1  PHE  20           HD1      PHE  20   2.327  -1.304  -9.255
  152    HD2  PHE  20           HD2      PHE  20   0.067   1.963  -7.705
  153    HE1  PHE  20           HE1      PHE  20   3.647   0.254 -10.596
  154    HE2  PHE  20           HE2      PHE  20   1.382   3.509  -9.032
  155    HZ   PHE  20           HZ       PHE  20   3.185   2.674 -10.496
  156    H    ALA  21           H        ALA  21   1.029   1.039  -5.404
  157    HA   ALA  21           HA       ALA  21   3.630   1.998  -5.875
  158   1HB   ALA  21          3HB       ALA  21   1.529   3.249  -4.960
  159   2HB   ALA  21          2HB       ALA  21   2.043   2.719  -3.369
  160   3HB   ALA  21          1HB       ALA  21   3.083   3.763  -4.324
  161    H    GLU  22           H        GLU  22   2.453   0.423  -2.944
  162    HA   GLU  22           HA       GLU  22   4.912   0.440  -1.500
  163   1HB   GLU  22          2HB       GLU  22   2.731  -1.716  -1.503
  164   2HB   GLU  22          1HB       GLU  22   3.990  -1.601  -0.296
  165   1HG   GLU  22          2HG       GLU  22   3.022   0.185   0.787
  166   2HG   GLU  22          1HG       GLU  22   2.427   0.916  -0.691
  167    H    ASP  23           H        ASP  23   3.606  -1.966  -3.693
  168    HA   ASP  23           HA       ASP  23   5.654  -3.865  -3.686
  169   1HB   ASP  23          2HB       ASP  23   3.295  -3.633  -5.005
  170   2HB   ASP  23          1HB       ASP  23   4.342  -3.132  -6.297
  171    H    VAL  24           H        VAL  24   5.244  -1.119  -5.773
  172    HA   VAL  24           HA       VAL  24   7.513  -1.184  -7.378
  173    HB   VAL  24           HB       VAL  24   6.035   1.219  -6.199
  174   1HG1  VAL  24          3HG1      VAL  24   7.720   1.067  -8.678
  175   2HG1  VAL  24          2HG1      VAL  24   6.675   2.408  -8.206
  176   3HG1  VAL  24          1HG1      VAL  24   8.061   1.994  -7.207
  177   1HG2  VAL  24          1HG2      VAL  24   4.994  -0.836  -7.762
  178   2HG2  VAL  24          3HG2      VAL  24   4.344   0.785  -7.622
  179   3HG2  VAL  24          2HG2      VAL  24   5.420   0.373  -8.951
  180    H    GLY  25           H        GLY  25   7.098   0.368  -4.279
  181   1HA   GLY  25          2HA       GLY  25   9.710   1.430  -3.900
  182   2HA   GLY  25          1HA       GLY  25   8.665   0.913  -2.571
  183    H    SER  26           H        SER  26   8.419  -1.632  -2.746
  184    HA   SER  26           HA       SER  26  10.743  -2.826  -1.716
  185   1HB   SER  26          2HB       SER  26   8.606  -4.428  -3.218
  186   2HB   SER  26          1HB       SER  26   9.535  -4.922  -1.798
  187    HG   SER  26           HG       SER  26   7.272  -3.480  -1.935
  188    H    ASN  27           H        ASN  27   9.467  -3.033  -4.958
  189    HA   ASN  27           HA       ASN  27  11.315  -4.694  -6.197
  190   1HB   ASN  27          2HB       ASN  27   9.504  -2.457  -7.114
  191   2HB   ASN  27          1HB       ASN  27  10.721  -2.997  -8.244
  192   1HD2  ASN  27          1HD2      ASN  27   7.606  -3.605  -7.079
  193   2HD2  ASN  27          2HD2      ASN  27   7.405  -5.169  -7.703
  194    H    LYS  28           H        LYS  28  11.480  -1.151  -6.160
  195    HA   LYS  28           HA       LYS  28  13.955  -0.803  -7.403
  196   1HB   LYS  28          2HB       LYS  28  12.170   0.788  -5.890
  197   2HB   LYS  28          1HB       LYS  28  13.659   0.911  -4.983
  198   1HG   LYS  28          2HG       LYS  28  13.481   1.346  -7.990
  199   2HG   LYS  28          1HG       LYS  28  13.298   2.639  -6.826
  200   1HD   LYS  28          2HD       LYS  28  15.558   2.872  -6.765
  201   2HD   LYS  28          1HD       LYS  28  15.674   1.294  -6.016
  202   1HE   LYS  28          2HE       LYS  28  15.701   0.250  -8.311
  203   2HE   LYS  28          1HE       LYS  28  15.717   1.864  -9.007
  204   1HZ   LYS  28          1HZ       LYS  28  17.712   1.731  -7.060
  205   2HZ   LYS  28          3HZ       LYS  28  17.859   0.364  -8.058
  206   3HZ   LYS  28          2HZ       LYS  28  17.880   1.919  -8.740
  207    H    GLY  29           H        GLY  29  13.417  -1.501  -3.974
  208   1HA   GLY  29          2HA       GLY  29  16.117  -1.519  -3.107
  209   2HA   GLY  29          1HA       GLY  29  14.837  -2.494  -2.379
  210    H    ALA  30           H        ALA  30  14.132  -4.269  -4.116
  211    HA   ALA  30           HA       ALA  30  16.169  -6.246  -4.133
  212   1HB   ALA  30          3HB       ALA  30  13.705  -6.717  -4.356
  213   2HB   ALA  30          2HB       ALA  30  13.747  -6.081  -5.993
  214   3HB   ALA  30          1HB       ALA  30  14.639  -7.542  -5.594
  215    H    ILE  31           H        ILE  31  15.098  -4.162  -6.723
  216    HA   ILE  31           HA       ILE  31  16.606  -5.036  -8.873
  217    HB   ILE  31           HB       ILE  31  15.366  -2.433  -7.933
  218   1HG1  ILE  31          2HG1      ILE  31  14.866  -4.266 -10.288
  219   2HG1  ILE  31          1HG1      ILE  31  13.987  -4.289  -8.786
  220   1HG2  ILE  31          3HG2      ILE  31  16.960  -2.624 -10.501
  221   2HG2  ILE  31          2HG2      ILE  31  15.860  -1.317 -10.076
  222   3HG2  ILE  31          1HG2      ILE  31  17.299  -1.579  -9.121
  223   1HD1  ILE  31          2HD1      ILE  31  13.441  -1.771  -9.282
  224   2HD1  ILE  31          1HD1      ILE  31  13.894  -2.171 -10.932
  225   3HD1  ILE  31          3HD1      ILE  31  12.568  -3.016 -10.155
  226    H    ILE  32           H        ILE  32  17.494  -2.537  -6.492
  227    HA   ILE  32           HA       ILE  32  20.109  -2.061  -7.449
  228    HB   ILE  32           HB       ILE  32  19.138  -2.102  -4.534
  229   1HG1  ILE  32          2HG1      ILE  32  19.438   0.332  -6.341
  230   2HG1  ILE  32          1HG1      ILE  32  17.950  -0.573  -6.304
  231   1HG2  ILE  32          1HG2      ILE  32  21.603  -0.814  -5.803
  232   2HG2  ILE  32          3HG2      ILE  32  21.048  -0.453  -4.177
  233   3HG2  ILE  32          2HG2      ILE  32  21.592  -2.069  -4.576
  234   1HD1  ILE  32          2HD1      ILE  32  17.939  -0.253  -3.754
  235   2HD1  ILE  32          1HD1      ILE  32  19.229   0.915  -3.997
  236   3HD1  ILE  32          3HD1      ILE  32  17.653   1.186  -4.715
  237    H    GLY  33           H        GLY  33  19.015  -4.444  -5.099
  238   1HA   GLY  33          2HA       GLY  33  21.496  -5.693  -4.533
  239   2HA   GLY  33          1HA       GLY  33  19.944  -6.537  -4.490
  240    H    LEU  34           H        LEU  34  19.135  -6.556  -7.019
  241    HA   LEU  34           HA       LEU  34  20.562  -8.648  -8.264
  242   1HB   LEU  34          2HB       LEU  34  18.576  -6.625  -9.388
  243   2HB   LEU  34          1HB       LEU  34  19.168  -7.964 -10.344
  244    HG   LEU  34           HG       LEU  34  18.039  -8.579  -7.600
  245   1HD1  LEU  34          2HD1      LEU  34  16.401  -7.834 -10.053
  246   2HD1  LEU  34          1HD1      LEU  34  15.755  -8.815  -8.747
  247   3HD1  LEU  34          3HD1      LEU  34  16.274  -7.173  -8.431
  248   1HD2  LEU  34          1HD2      LEU  34  19.080 -10.361  -9.045
  249   2HD2  LEU  34          3HD2      LEU  34  17.384 -10.672  -8.723
  250   3HD2  LEU  34          2HD2      LEU  34  17.877 -10.030 -10.282
  251    H    MET  35           H        MET  35  20.632  -5.182  -8.975
  252    HA   MET  35           HA       MET  35  22.381  -5.231 -11.174
  253   1HB   MET  35          2HB       MET  35  22.028  -3.155  -8.969
  254   2HB   MET  35          1HB       MET  35  23.056  -2.880 -10.360
  255   1HG   MET  35          2HG       MET  35  21.182  -3.192 -11.880
  256   2HG   MET  35          1HG       MET  35  20.130  -3.635 -10.569
  257   1HE   MET  35          2HE       MET  35  22.430  -0.830 -11.894
  258   2HE   MET  35          1HE       MET  35  21.053  -0.982 -12.986
  259   3HE   MET  35          3HE       MET  35  21.272   0.492 -12.043
  260    H    VAL  36           H        VAL  36  23.133  -4.825  -7.790
  261    HA   VAL  36           HA       VAL  36  25.944  -4.819  -7.889
  262    HB   VAL  36           HB       VAL  36  23.985  -5.800  -5.741
  263   1HG1  VAL  36          2HG1      VAL  36  27.018  -5.498  -5.578
  264   2HG1  VAL  36          1HG1      VAL  36  25.982  -5.538  -4.159
  265   3HG1  VAL  36          3HG1      VAL  36  26.071  -6.934  -5.215
  266   1HG2  VAL  36          1HG2      VAL  36  24.006  -3.349  -6.379
  267   2HG2  VAL  36          3HG2      VAL  36  24.439  -3.644  -4.706
  268   3HG2  VAL  36          2HG2      VAL  36  25.688  -3.279  -5.885
  269    H    GLY  37           H        GLY  37  23.764  -7.558  -7.457
  270   1HA   GLY  37          2HA       GLY  37  25.554  -9.681  -7.252
  271   2HA   GLY  37          1HA       GLY  37  23.956  -9.814  -7.972
  272    H    GLY  38           H        GLY  38  24.020  -8.614 -10.291
  273   1HA   GLY  38          2HA       GLY  38  26.459  -8.999 -11.816
  274   2HA   GLY  38          1HA       GLY  38  25.331 -10.323 -12.068
  275    H    VAL  39           H        VAL  39  23.271  -7.914 -11.593
  276    HA   VAL  39           HA       VAL  39  22.995  -7.373 -14.474
  277    HB   VAL  39           HB       VAL  39  21.051  -6.513 -12.267
  278   1HG1  VAL  39          2HG1      VAL  39  20.699  -7.229 -15.216
  279   2HG1  VAL  39          1HG1      VAL  39  19.383  -6.830 -14.125
  280   3HG1  VAL  39          3HG1      VAL  39  20.580  -5.619 -14.530
  281   1HG2  VAL  39          2HG2      VAL  39  21.254  -9.252 -13.592
  282   2HG2  VAL  39          1HG2      VAL  39  21.377  -8.909 -11.874
  283   3HG2  VAL  39          3HG2      VAL  39  19.846  -8.698 -12.699
  284    H    VAL  40           H        VAL  40  25.109  -6.217 -13.001
  285    HA   VAL  40           HA       VAL  40  24.917  -3.641 -12.042
  286    HB   VAL  40           HB       VAL  40  27.080  -4.664 -13.950
  287   1HG1  VAL  40          1HG1      VAL  40  27.073  -2.411 -11.891
  288   2HG1  VAL  40          3HG1      VAL  40  28.531  -3.040 -12.643
  289   3HG1  VAL  40          2HG1      VAL  40  27.310  -2.253 -13.625
  290   1HG2  VAL  40          1HG2      VAL  40  26.735  -6.190 -11.991
  291   2HG2  VAL  40          3HG2      VAL  40  28.277  -5.365 -11.903
  292   3HG2  VAL  40          2HG2      VAL  40  26.942  -4.824 -10.903
   
  No H/Q in entry =         292
  Start of MODEL    5
    1   1H    ASP   1          2H        ASP   1 -18.771  -9.373   9.948
    2   2H    ASP   1          1H        ASP   1 -19.292  -9.436   8.335
    3   3H    ASP   1          3H        ASP   1 -19.964 -10.489   9.487
    4    HA   ASP   1           HA       ASP   1 -18.427 -11.992   9.103
    5   1HB   ASP   1          2HB       ASP   1 -17.000 -11.712   7.108
    6   2HB   ASP   1          1HB       ASP   1 -18.561 -10.992   6.775
    7    H    ALA   2           H        ALA   2 -15.650 -11.694   8.477
    8    HA   ALA   2           HA       ALA   2 -14.599 -11.259  11.150
    9   1HB   ALA   2          3HB       ALA   2 -13.298 -11.919   8.481
   10   2HB   ALA   2          2HB       ALA   2 -12.390 -11.785   9.983
   11   3HB   ALA   2          1HB       ALA   2 -13.622 -13.024   9.804
   12    H    GLU   3           H        GLU   3 -14.780  -9.163  11.723
   13    HA   GLU   3           HA       GLU   3 -13.764  -7.006   9.961
   14   1HB   GLU   3          2HB       GLU   3 -15.558  -7.242  12.356
   15   2HB   GLU   3          1HB       GLU   3 -14.599  -5.780  12.307
   16   1HG   GLU   3          2HG       GLU   3 -16.827  -5.521  11.173
   17   2HG   GLU   3          1HG       GLU   3 -15.473  -5.171  10.118
   18    H    PHE   4           H        PHE   4 -11.819  -8.398  10.241
   19    HA   PHE   4           HA       PHE   4  -9.900  -6.997  11.994
   20   1HB   PHE   4          2HB       PHE   4 -10.188 -10.059  11.893
   21   2HB   PHE   4          1HB       PHE   4  -8.907  -9.193  12.730
   22    HD1  PHE   4           HD1      PHE   4  -9.457  -7.793  14.746
   23    HD2  PHE   4           HD2      PHE   4 -12.399 -10.226  12.846
   24    HE1  PHE   4           HE1      PHE   4 -10.896  -7.606  16.724
   25    HE2  PHE   4           HE2      PHE   4 -13.832 -10.034  14.826
   26    HZ   PHE   4           HZ       PHE   4 -13.084  -8.725  16.767
   27    H    ARG   5           H        ARG   5 -10.146  -6.350   9.608
   28    HA   ARG   5           HA       ARG   5  -9.181  -6.100   7.521
   29   1HB   ARG   5          2HB       ARG   5  -6.904  -7.764   8.731
   30   2HB   ARG   5          1HB       ARG   5  -6.792  -6.740   7.315
   31   1HG   ARG   5          2HG       ARG   5  -7.301  -4.738   8.667
   32   2HG   ARG   5          1HG       ARG   5  -7.470  -5.727  10.107
   33   1HD   ARG   5          2HD       ARG   5  -5.138  -6.400  10.030
   34   2HD   ARG   5          1HD       ARG   5  -4.897  -5.646   8.460
   35    HE   ARG   5           HE       ARG   5  -4.966  -4.302  11.052
   36   1HH1  ARG   5          2HH1      ARG   5  -5.409  -3.952   7.628
   37   2HH1  ARG   5          1HH1      ARG   5  -5.082  -2.253   7.648
   38   1HH2  ARG   5          1HH2      ARG   5  -4.561  -2.149  11.097
   39   2HH2  ARG   5          2HH2      ARG   5  -4.600  -1.215   9.639
   40    H    HIS   6           H        HIS   6 -11.009  -8.222   7.807
   41    HA   HIS   6           HA       HIS   6 -10.204  -9.895   5.533
   42   1HB   HIS   6          2HB       HIS   6  -9.535 -11.275   7.459
   43   2HB   HIS   6          1HB       HIS   6 -11.059 -10.971   8.270
   44    HD1  HIS   6           HD1      HIS   6 -11.625 -11.689   4.779
   45    HD2  HIS   6           HD2      HIS   6 -11.149 -13.950   8.144
   46    HE1  HIS   6           HE1      HIS   6 -12.479 -13.934   4.231
   47    H    ASP   7           H        ASP   7 -11.697  -8.325   4.662
   48    HA   ASP   7           HA       ASP   7 -14.440  -8.143   5.374
   49   1HB   ASP   7          2HB       ASP   7 -14.618  -6.966   3.205
   50   2HB   ASP   7          1HB       ASP   7 -13.195  -6.442   4.074
   51    H    SER   8           H        SER   8 -15.691  -8.466   2.863
   52    HA   SER   8           HA       SER   8 -15.504 -11.299   2.127
   53   1HB   SER   8          2HB       SER   8 -17.105 -11.137   4.136
   54   2HB   SER   8          1HB       SER   8 -18.158 -10.112   3.148
   55    HG   SER   8           HG       SER   8 -18.787 -11.842   2.170
   56    H    GLY   9           H        GLY   9 -14.670  -9.844   0.387
   57   1HA   GLY   9          2HA       GLY   9 -14.918  -9.263  -1.872
   58   2HA   GLY   9          1HA       GLY   9 -16.630  -9.662  -1.757
   59    H    TYR  10           H        TYR  10 -14.847  -7.398   0.230
   60    HA   TYR  10           HA       TYR  10 -16.775  -5.275  -0.169
   61   1HB   TYR  10          2HB       TYR  10 -15.770  -5.342   1.985
   62   2HB   TYR  10          1HB       TYR  10 -14.157  -5.555   1.331
   63    HD1  TYR  10           HD1      TYR  10 -16.936  -3.048   1.509
   64    HD2  TYR  10           HD2      TYR  10 -12.751  -3.686   1.030
   65    HE1  TYR  10           HE1      TYR  10 -16.549  -0.632   1.629
   66    HE2  TYR  10           HE2      TYR  10 -12.370  -1.272   1.150
   67    HH   TYR  10           HH       TYR  10 -14.029   0.789   2.379
   68    H    GLU  11           H        GLU  11 -16.715  -3.613  -1.533
   69    HA   GLU  11           HA       GLU  11 -14.740  -3.565  -3.686
   70   1HB   GLU  11          2HB       GLU  11 -17.078  -3.067  -4.212
   71   2HB   GLU  11          1HB       GLU  11 -17.131  -1.780  -3.026
   72   1HG   GLU  11          2HG       GLU  11 -14.961  -1.419  -5.052
   73   2HG   GLU  11          1HG       GLU  11 -16.561  -1.467  -5.755
   74    H    VAL  12           H        VAL  12 -13.018  -2.274  -3.830
   75    HA   VAL  12           HA       VAL  12 -12.452  -0.375  -1.622
   76    HB   VAL  12           HB       VAL  12 -10.083  -0.570  -2.492
   77   1HG1  VAL  12          2HG1      VAL  12 -11.438  -3.166  -1.643
   78   2HG1  VAL  12          1HG1      VAL  12  -9.714  -2.838  -1.523
   79   3HG1  VAL  12          3HG1      VAL  12 -10.853  -1.911  -0.562
   80   1HG2  VAL  12          3HG2      VAL  12 -10.689  -1.316  -4.814
   81   2HG2  VAL  12          2HG2      VAL  12  -9.494  -2.343  -4.047
   82   3HG2  VAL  12          1HG2      VAL  12 -11.164  -2.874  -4.156
   83    H    HIS  13           H        HIS  13 -11.234   1.444  -2.204
   84    HA   HIS  13           HA       HIS  13 -12.465   2.923  -4.447
   85   1HB   HIS  13          2HB       HIS  13 -11.285   3.612  -1.831
   86   2HB   HIS  13          1HB       HIS  13 -10.674   4.670  -3.089
   87    HD1  HIS  13           HD1      HIS  13 -12.294   6.423  -3.866
   88    HD2  HIS  13           HD2      HIS  13 -14.227   3.547  -1.705
   89    HE1  HIS  13           HE1      HIS  13 -14.607   7.225  -3.550
   90    H    HIS  14           H        HIS  14  -9.185   3.199  -3.257
   91    HA   HIS  14           HA       HIS  14  -8.114   2.515  -5.951
   92   1HB   HIS  14          2HB       HIS  14  -6.730   4.762  -4.476
   93   2HB   HIS  14          1HB       HIS  14  -6.998   4.565  -6.198
   94    HD1  HIS  14           HD1      HIS  14  -8.291   6.422  -3.424
   95    HD2  HIS  14           HD2      HIS  14  -9.832   5.109  -6.966
   96    HE1  HIS  14           HE1      HIS  14 -10.335   7.742  -3.821
   97    H    GLN  15           H        GLN  15  -8.300   1.292  -3.265
   98    HA   GLN  15           HA       GLN  15  -5.775   1.134  -1.980
   99   1HB   GLN  15          2HB       GLN  15  -8.078  -0.825  -2.276
  100   2HB   GLN  15          1HB       GLN  15  -6.638  -1.294  -1.415
  101   1HG   GLN  15          2HG       GLN  15  -8.026  -0.456   0.307
  102   2HG   GLN  15          1HG       GLN  15  -6.932   0.878  -0.009
  103   1HE2  GLN  15          2HE2      GLN  15  -9.481   2.953  -1.444
  104   2HE2  GLN  15          1HE2      GLN  15  -7.808   2.667  -1.436
  105    H    LYS  16           H        LYS  16  -7.009  -0.337  -4.844
  106    HA   LYS  16           HA       LYS  16  -5.107  -2.354  -5.335
  107   1HB   LYS  16          2HB       LYS  16  -5.662  -1.895  -7.818
  108   2HB   LYS  16          1HB       LYS  16  -7.007  -2.278  -6.775
  109   1HG   LYS  16          2HG       LYS  16  -8.020  -0.399  -7.530
  110   2HG   LYS  16          1HG       LYS  16  -6.889   0.529  -6.578
  111   1HD   LYS  16          2HD       LYS  16  -5.293   0.355  -8.637
  112   2HD   LYS  16          1HD       LYS  16  -6.708  -0.187  -9.517
  113   1HE   LYS  16          2HE       LYS  16  -7.881   1.882  -9.108
  114   2HE   LYS  16          1HE       LYS  16  -6.714   2.390  -7.895
  115   1HZ   LYS  16          2HZ       LYS  16  -5.341   1.873 -10.270
  116   2HZ   LYS  16          1HZ       LYS  16  -6.669   2.868 -10.631
  117   3HZ   LYS  16          3HZ       LYS  16  -5.542   3.350  -9.456
  118    H    LEU  17           H        LEU  17  -5.012   1.019  -6.469
  119    HA   LEU  17           HA       LEU  17  -2.378   0.778  -7.591
  120   1HB   LEU  17          2HB       LEU  17  -2.675   2.977  -8.245
  121   2HB   LEU  17          1HB       LEU  17  -4.333   2.583  -7.890
  122    HG   LEU  17           HG       LEU  17  -3.900   3.538  -5.527
  123   1HD1  LEU  17          2HD1      LEU  17  -1.255   3.974  -6.770
  124   2HD1  LEU  17          1HD1      LEU  17  -1.945   5.501  -6.263
  125   3HD1  LEU  17          3HD1      LEU  17  -1.729   4.211  -5.102
  126   1HD2  LEU  17          1HD2      LEU  17  -5.206   4.620  -7.418
  127   2HD2  LEU  17          3HD2      LEU  17  -4.485   5.764  -6.299
  128   3HD2  LEU  17          2HD2      LEU  17  -3.742   5.476  -7.865
  129    H    VAL  18           H        VAL  18  -3.579   1.804  -4.413
  130    HA   VAL  18           HA       VAL  18  -1.205   2.796  -3.289
  131    HB   VAL  18           HB       VAL  18  -3.539   1.218  -2.103
  132   1HG1  VAL  18          1HG1      VAL  18  -1.205   2.498  -0.675
  133   2HG1  VAL  18          3HG1      VAL  18  -2.742   2.145   0.112
  134   3HG1  VAL  18          2HG1      VAL  18  -1.776   0.836  -0.552
  135   1HG2  VAL  18          2HG2      VAL  18  -3.946   3.533  -3.067
  136   2HG2  VAL  18          1HG2      VAL  18  -4.317   3.400  -1.358
  137   3HG2  VAL  18          3HG2      VAL  18  -2.825   4.169  -1.877
  138    H    PHE  19           H        PHE  19  -2.400  -0.542  -3.275
  139    HA   PHE  19           HA       PHE  19  -0.191  -1.811  -2.069
  140   1HB   PHE  19          2HB       PHE  19  -1.908  -2.958  -4.322
  141   2HB   PHE  19          1HB       PHE  19  -0.991  -3.886  -3.151
  142    HD1  PHE  19           HD2      PHE  19  -1.790  -2.094  -0.678
  143    HD2  PHE  19           HD1      PHE  19  -4.036  -3.918  -3.815
  144    HE1  PHE  19           HE2      PHE  19  -3.756  -2.175   0.769
  145    HE2  PHE  19           HE1      PHE  19  -6.001  -3.993  -2.353
  146    HZ   PHE  19           HZ       PHE  19  -5.865  -3.123  -0.058
  147    H    PHE  20           H        PHE  20  -0.837  -1.246  -5.481
  148    HA   PHE  20           HA       PHE  20   1.461  -2.362  -6.617
  149   1HB   PHE  20          2HB       PHE  20   0.122  -1.644  -8.343
  150   2HB   PHE  20          1HB       PHE  20  -0.626  -0.408  -7.372
  151    HD1  PHE  20           HD1      PHE  20   2.519  -1.134  -9.240
  152    HD2  PHE  20           HD2      PHE  20  -0.148   1.893  -7.861
  153    HE1  PHE  20           HE1      PHE  20   3.762   0.548 -10.499
  154    HE2  PHE  20           HE2      PHE  20   1.092   3.563  -9.106
  155    HZ   PHE  20           HZ       PHE  20   3.062   2.910 -10.443
  156    H    ALA  21           H        ALA  21   1.027   0.997  -5.549
  157    HA   ALA  21           HA       ALA  21   3.645   1.948  -5.983
  158   1HB   ALA  21          2HB       ALA  21   1.685   2.685  -3.754
  159   2HB   ALA  21          1HB       ALA  21   3.100   3.633  -4.180
  160   3HB   ALA  21          3HB       ALA  21   1.790   3.439  -5.332
  161    H    GLU  22           H        GLU  22   2.382   0.411  -3.065
  162    HA   GLU  22           HA       GLU  22   4.789   0.526  -1.539
  163   1HB   GLU  22          2HB       GLU  22   2.827  -1.836  -1.485
  164   2HB   GLU  22          1HB       GLU  22   3.883  -1.328  -0.188
  165   1HG   GLU  22          2HG       GLU  22   1.251  -0.179  -1.033
  166   2HG   GLU  22          1HG       GLU  22   1.892  -0.427   0.569
  167    H    ASP  23           H        ASP  23   3.629  -1.984  -3.708
  168    HA   ASP  23           HA       ASP  23   5.726  -3.828  -3.562
  169   1HB   ASP  23          2HB       ASP  23   3.483  -3.877  -4.974
  170   2HB   ASP  23          1HB       ASP  23   4.434  -3.112  -6.212
  171    H    VAL  24           H        VAL  24   5.328  -1.164  -5.721
  172    HA   VAL  24           HA       VAL  24   7.665  -1.194  -7.236
  173    HB   VAL  24           HB       VAL  24   5.993   1.156  -6.252
  174   1HG1  VAL  24          3HG1      VAL  24   7.832   0.979  -8.624
  175   2HG1  VAL  24          2HG1      VAL  24   6.662   2.264  -8.323
  176   3HG1  VAL  24          1HG1      VAL  24   8.002   2.028  -7.210
  177   1HG2  VAL  24          2HG2      VAL  24   5.146  -1.032  -7.729
  178   2HG2  VAL  24          1HG2      VAL  24   4.416   0.561  -7.733
  179   3HG2  VAL  24          3HG2      VAL  24   5.573   0.113  -8.980
  180    H    GLY  25           H        GLY  25   7.036   0.525  -4.269
  181   1HA   GLY  25          2HA       GLY  25   9.617   1.693  -3.908
  182   2HA   GLY  25          1HA       GLY  25   8.471   1.387  -2.607
  183    H    SER  26           H        SER  26   8.272  -1.194  -2.379
  184    HA   SER  26           HA       SER  26  10.778  -2.036  -1.231
  185   1HB   SER  26          2HB       SER  26   8.399  -2.466  -0.306
  186   2HB   SER  26          1HB       SER  26   8.297  -3.776  -1.493
  187    HG   SER  26           HG       SER  26   9.564  -4.877  -0.252
  188    H    ASN  27           H        ASN  27   9.688  -2.336  -4.394
  189    HA   ASN  27           HA       ASN  27  10.389  -5.002  -5.025
  190   1HB   ASN  27          2HB       ASN  27  10.067  -2.433  -6.547
  191   2HB   ASN  27          1HB       ASN  27  11.071  -3.623  -7.337
  192   1HD2  ASN  27          2HD2      ASN  27   7.357  -4.057  -8.117
  193   2HD2  ASN  27          1HD2      ASN  27   8.326  -2.664  -8.060
  194    H    LYS  28           H        LYS  28  12.386  -2.098  -5.242
  195    HA   LYS  28           HA       LYS  28  14.801  -3.301  -6.042
  196   1HB   LYS  28          2HB       LYS  28  13.984  -0.756  -5.107
  197   2HB   LYS  28          1HB       LYS  28  15.197  -1.234  -3.942
  198   1HG   LYS  28          2HG       LYS  28  15.628  -1.413  -6.945
  199   2HG   LYS  28          1HG       LYS  28  16.015   0.021  -6.016
  200   1HD   LYS  28          2HD       LYS  28  17.527  -1.344  -4.548
  201   2HD   LYS  28          1HD       LYS  28  17.172  -2.762  -5.518
  202   1HE   LYS  28          2HE       LYS  28  18.080  -1.539  -7.537
  203   2HE   LYS  28          1HE       LYS  28  18.571  -0.234  -6.463
  204   1HZ   LYS  28          1HZ       LYS  28  19.459  -2.653  -5.378
  205   2HZ   LYS  28          3HZ       LYS  28  19.902  -2.614  -7.016
  206   3HZ   LYS  28          2HZ       LYS  28  20.379  -1.358  -5.977
  207    H    GLY  29           H        GLY  29  13.408  -3.080  -2.804
  208   1HA   GLY  29          2HA       GLY  29  15.570  -4.163  -1.315
  209   2HA   GLY  29          1HA       GLY  29  13.869  -4.288  -0.852
  210    H    ALA  30           H        ALA  30  12.683  -5.831  -2.510
  211    HA   ALA  30           HA       ALA  30  13.509  -8.485  -1.932
  212   1HB   ALA  30          3HB       ALA  30  11.182  -7.838  -2.634
  213   2HB   ALA  30          2HB       ALA  30  11.762  -7.552  -4.264
  214   3HB   ALA  30          1HB       ALA  30  11.787  -9.178  -3.594
  215    H    ILE  31           H        ILE  31  13.973  -6.601  -4.848
  216    HA   ILE  31           HA       ILE  31  15.195  -8.455  -6.512
  217    HB   ILE  31           HB       ILE  31  15.233  -5.443  -6.123
  218   1HG1  ILE  31          2HG1      ILE  31  14.216  -7.236  -8.345
  219   2HG1  ILE  31          1HG1      ILE  31  13.246  -6.600  -7.049
  220   1HG2  ILE  31          2HG2      ILE  31  16.813  -6.800  -8.326
  221   2HG2  ILE  31          1HG2      ILE  31  16.484  -5.077  -8.199
  222   3HG2  ILE  31          3HG2      ILE  31  17.482  -5.856  -6.995
  223   1HD1  ILE  31          1HD1      ILE  31  13.998  -4.237  -7.853
  224   2HD1  ILE  31          3HD1      ILE  31  14.484  -5.054  -9.331
  225   3HD1  ILE  31          2HD1      ILE  31  12.808  -5.096  -8.813
  226    H    ILE  32           H        ILE  32  16.812  -6.157  -4.320
  227    HA   ILE  32           HA       ILE  32  19.418  -7.149  -4.712
  228    HB   ILE  32           HB       ILE  32  18.158  -5.975  -2.173
  229   1HG1  ILE  32          2HG1      ILE  32  19.908  -4.515  -4.187
  230   2HG1  ILE  32          1HG1      ILE  32  18.198  -4.653  -4.461
  231   1HG2  ILE  32          2HG2      ILE  32  21.080  -6.407  -2.952
  232   2HG2  ILE  32          1HG2      ILE  32  20.600  -5.313  -1.666
  233   3HG2  ILE  32          3HG2      ILE  32  20.256  -7.024  -1.530
  234   1HD1  ILE  32          2HD1      ILE  32  19.247  -3.573  -1.824
  235   2HD1  ILE  32          1HD1      ILE  32  18.989  -2.537  -3.214
  236   3HD1  ILE  32          3HD1      ILE  32  17.638  -3.404  -2.505
  237    H    GLY  33           H        GLY  33  16.983  -8.136  -2.372
  238   1HA   GLY  33          2HA       GLY  33  18.450 -10.099  -0.989
  239   2HA   GLY  33          1HA       GLY  33  16.707 -10.171  -1.230
  240    H    LEU  34           H        LEU  34  16.473 -10.571  -3.933
  241    HA   LEU  34           HA       LEU  34  17.196 -13.343  -4.108
  242   1HB   LEU  34          2HB       LEU  34  15.775 -13.430  -5.958
  243   2HB   LEU  34          1HB       LEU  34  15.165 -12.033  -5.120
  244    HG   LEU  34           HG       LEU  34  16.881 -10.741  -6.757
  245   1HD1  LEU  34          3HD1      LEU  34  16.035 -13.214  -8.338
  246   2HD1  LEU  34          2HD1      LEU  34  16.860 -11.811  -8.996
  247   3HD1  LEU  34          1HD1      LEU  34  17.685 -12.858  -7.860
  248   1HD2  LEU  34          2HD2      LEU  34  14.361 -10.470  -6.529
  249   2HD2  LEU  34          1HD2      LEU  34  14.961 -10.246  -8.162
  250   3HD2  LEU  34          3HD2      LEU  34  14.173 -11.750  -7.713
  251    H    MET  35           H        MET  35  18.645 -10.488  -5.751
  252    HA   MET  35           HA       MET  35  20.305 -12.149  -7.436
  253   1HB   MET  35          2HB       MET  35  21.707 -10.098  -7.751
  254   2HB   MET  35          1HB       MET  35  20.005  -9.748  -7.949
  255   1HG   MET  35          2HG       MET  35  19.884  -8.876  -5.708
  256   2HG   MET  35          1HG       MET  35  21.558  -9.250  -5.406
  257   1HE   MET  35          1HE       MET  35  22.556  -7.175  -4.672
  258   2HE   MET  35          3HE       MET  35  23.534  -7.807  -5.997
  259   3HE   MET  35          2HE       MET  35  23.208  -6.079  -5.888
  260    H    VAL  36           H        VAL  36  20.595 -10.920  -4.199
  261    HA   VAL  36           HA       VAL  36  23.315 -11.621  -3.680
  262    HB   VAL  36           HB       VAL  36  20.862 -11.057  -1.935
  263   1HG1  VAL  36          2HG1      VAL  36  23.638 -11.899  -0.988
  264   2HG1  VAL  36          1HG1      VAL  36  22.517 -11.008   0.029
  265   3HG1  VAL  36          3HG1      VAL  36  22.093 -12.611  -0.542
  266   1HG2  VAL  36          1HG2      VAL  36  22.189  -9.223  -3.188
  267   2HG2  VAL  36          3HG2      VAL  36  21.988  -8.989  -1.460
  268   3HG2  VAL  36          2HG2      VAL  36  23.516  -9.574  -2.097
  269    H    GLY  37           H        GLY  37  20.301 -13.252  -2.668
  270   1HA   GLY  37          2HA       GLY  37  21.713 -15.735  -2.029
  271   2HA   GLY  37          1HA       GLY  37  19.981 -15.445  -1.891
  272    H    GLY  38           H        GLY  38  18.768 -15.335  -3.898
  273   1HA   GLY  38          2HA       GLY  38  19.704 -16.219  -6.439
  274   2HA   GLY  38          1HA       GLY  38  19.108 -17.625  -5.548
  275    H    VAL  39           H        VAL  39  16.966 -17.241  -4.471
  276    HA   VAL  39           HA       VAL  39  15.102 -15.577  -6.067
  277    HB   VAL  39           HB       VAL  39  14.539 -18.466  -5.179
  278   1HG1  VAL  39          3HG1      VAL  39  13.100 -16.589  -7.119
  279   2HG1  VAL  39          2HG1      VAL  39  12.645 -18.258  -6.823
  280   3HG1  VAL  39          1HG1      VAL  39  12.509 -17.072  -5.540
  281   1HG2  VAL  39          2HG2      VAL  39  15.493 -17.436  -7.888
  282   2HG2  VAL  39          1HG2      VAL  39  16.288 -18.624  -6.868
  283   3HG2  VAL  39          3HG2      VAL  39  14.775 -19.021  -7.659
  284    H    VAL  40           H        VAL  40  16.034 -14.592  -4.042
  285    HA   VAL  40           HA       VAL  40  15.710 -13.553  -2.018
  286    HB   VAL  40           HB       VAL  40  12.893 -14.679  -2.405
  287   1HG1  VAL  40          2HG1      VAL  40  13.973 -12.588  -0.458
  288   2HG1  VAL  40          1HG1      VAL  40  12.265 -12.724  -0.844
  289   3HG1  VAL  40          3HG1      VAL  40  13.091 -14.050  -0.052
  290   1HG2  VAL  40          3HG2      VAL  40  14.169 -12.011  -3.112
  291   2HG2  VAL  40          2HG2      VAL  40  13.500 -13.200  -4.224
  292   3HG2  VAL  40          1HG2      VAL  40  12.437 -12.299  -3.162
   
  No H/Q in entry =         292
  Start of MODEL    6
    1   1H    ASP   1          2H        ASP   1  -5.226 -12.788   0.973
    2   2H    ASP   1          1H        ASP   1  -6.109 -12.833   2.422
    3   3H    ASP   1          3H        ASP   1  -5.027 -14.089   2.044
    4    HA   ASP   1           HA       ASP   1  -6.604 -15.208   1.036
    5   1HB   ASP   1          2HB       ASP   1  -8.954 -14.403   1.197
    6   2HB   ASP   1          1HB       ASP   1  -8.111 -14.053   2.692
    7    H    ALA   2           H        ALA   2  -8.526 -14.786  -0.708
    8    HA   ALA   2           HA       ALA   2  -8.906 -14.615  -2.966
    9   1HB   ALA   2          3HB       ALA   2  -9.401 -12.296  -2.185
   10   2HB   ALA   2          2HB       ALA   2  -7.737 -11.832  -2.510
   11   3HB   ALA   2          1HB       ALA   2  -8.801 -12.289  -3.832
   12    H    GLU   3           H        GLU   3  -6.276 -15.576  -2.213
   13    HA   GLU   3           HA       GLU   3  -4.619 -14.847  -4.600
   14   1HB   GLU   3          2HB       GLU   3  -2.760 -15.963  -3.345
   15   2HB   GLU   3          1HB       GLU   3  -3.482 -14.658  -2.430
   16   1HG   GLU   3          2HG       GLU   3  -5.012 -16.807  -1.552
   17   2HG   GLU   3          1HG       GLU   3  -3.485 -17.595  -1.880
   18    H    PHE   4           H        PHE   4  -6.806 -16.160  -5.136
   19    HA   PHE   4           HA       PHE   4  -5.987 -18.958  -5.809
   20   1HB   PHE   4          2HB       PHE   4  -8.929 -18.231  -5.592
   21   2HB   PHE   4          1HB       PHE   4  -8.131 -19.753  -5.249
   22    HD1  PHE   4           HD2      PHE   4  -6.363 -19.603  -3.205
   23    HD2  PHE   4           HD1      PHE   4  -9.688 -16.988  -3.746
   24    HE1  PHE   4           HE2      PHE   4  -6.316 -19.039  -0.820
   25    HE2  PHE   4           HE1      PHE   4  -9.634 -16.430  -1.362
   26    HZ   PHE   4           HZ       PHE   4  -7.949 -17.452   0.108
   27    H    ARG   5           H        ARG   5  -5.028 -17.814  -7.567
   28    HA   ARG   5           HA       ARG   5  -4.876 -17.087  -9.762
   29   1HB   ARG   5          2HB       ARG   5  -7.385 -18.836  -9.833
   30   2HB   ARG   5          1HB       ARG   5  -6.717 -18.149 -11.291
   31   1HG   ARG   5          2HG       ARG   5  -5.260 -20.013  -9.367
   32   2HG   ARG   5          1HG       ARG   5  -5.896 -20.459 -10.934
   33   1HD   ARG   5          2HD       ARG   5  -3.521 -18.676 -10.324
   34   2HD   ARG   5          1HD       ARG   5  -3.580 -20.098 -11.357
   35    HE   ARG   5           HE       ARG   5  -5.295 -18.437 -12.659
   36   1HH1  ARG   5          2HH1      ARG   5  -2.111 -17.955 -11.361
   37   2HH1  ARG   5          1HH1      ARG   5  -1.696 -16.757 -12.538
   38   1HH2  ARG   5          1HH2      ARG   5  -4.782 -16.926 -14.154
   39   2HH2  ARG   5          2HH2      ARG   5  -3.227 -16.165 -14.141
   40    H    HIS   6           H        HIS   6  -5.241 -15.000  -8.873
   41    HA   HIS   6           HA       HIS   6  -6.293 -12.927  -8.651
   42   1HB   HIS   6          2HB       HIS   6  -6.611 -11.959 -10.942
   43   2HB   HIS   6          1HB       HIS   6  -5.163 -12.945 -10.850
   44    HD1  HIS   6           HD1      HIS   6  -5.350 -15.288 -12.051
   45    HD2  HIS   6           HD2      HIS   6  -8.603 -12.902 -12.688
   46    HE1  HIS   6           HE1      HIS   6  -6.600 -16.298 -13.925
   47    H    ASP   7           H        ASP   7  -8.208 -14.824  -7.849
   48    HA   ASP   7           HA       ASP   7 -10.737 -14.524  -9.099
   49   1HB   ASP   7          2HB       ASP   7 -11.600 -15.424  -6.944
   50   2HB   ASP   7          1HB       ASP   7 -10.218 -16.338  -7.505
   51    H    SER   8           H        SER   8 -12.605 -13.510  -8.107
   52    HA   SER   8           HA       SER   8 -13.783 -11.557  -7.685
   53   1HB   SER   8          2HB       SER   8 -13.509 -10.795  -5.361
   54   2HB   SER   8          1HB       SER   8 -13.122 -12.516  -5.373
   55    HG   SER   8           HG       SER   8 -11.174 -12.033  -4.839
   56    H    GLY   9           H        GLY   9 -13.009  -9.164  -6.415
   57   1HA   GLY   9          2HA       GLY   9 -10.744  -7.855  -7.489
   58   2HA   GLY   9          1HA       GLY   9 -12.064  -7.639  -8.643
   59    H    TYR  10           H        TYR  10 -14.163  -7.052  -7.525
   60    HA   TYR  10           HA       TYR  10 -15.474  -5.503  -6.454
   61   1HB   TYR  10          2HB       TYR  10 -14.867  -6.593  -4.373
   62   2HB   TYR  10          1HB       TYR  10 -13.300  -5.808  -4.317
   63    HD1  TYR  10           HD1      TYR  10 -16.921  -4.802  -4.601
   64    HD2  TYR  10           HD2      TYR  10 -13.112  -3.981  -2.882
   65    HE1  TYR  10           HE1      TYR  10 -17.886  -2.938  -3.346
   66    HE2  TYR  10           HE2      TYR  10 -14.079  -2.118  -1.628
   67    HH   TYR  10           HH       TYR  10 -16.289  -1.417  -0.788
   68    H    GLU  11           H        GLU  11 -15.844  -3.386  -6.475
   69    HA   GLU  11           HA       GLU  11 -13.837  -1.630  -7.653
   70   1HB   GLU  11          2HB       GLU  11 -16.688  -1.117  -6.700
   71   2HB   GLU  11          1HB       GLU  11 -15.710   0.060  -7.557
   72   1HG   GLU  11          2HG       GLU  11 -15.493  -1.547  -9.478
   73   2HG   GLU  11          1HG       GLU  11 -16.532  -2.678  -8.626
   74    H    VAL  12           H        VAL  12 -12.320  -0.740  -6.451
   75    HA   VAL  12           HA       VAL  12 -12.899   0.107  -3.655
   76    HB   VAL  12           HB       VAL  12 -10.385  -0.006  -3.388
   77   1HG1  VAL  12          2HG1      VAL  12 -11.807  -1.901  -2.697
   78   2HG1  VAL  12          1HG1      VAL  12 -11.697  -2.589  -4.312
   79   3HG1  VAL  12          3HG1      VAL  12 -10.263  -2.472  -3.304
   80   1HG2  VAL  12          1HG2      VAL  12  -9.769   0.262  -5.803
   81   2HG2  VAL  12          3HG2      VAL  12  -9.027  -1.156  -5.088
   82   3HG2  VAL  12          2HG2      VAL  12 -10.423  -1.336  -6.134
   83    H    HIS  13           H        HIS  13 -11.389   1.886  -3.039
   84    HA   HIS  13           HA       HIS  13 -11.980   4.215  -4.699
   85   1HB   HIS  13          2HB       HIS  13 -11.170   3.703  -1.924
   86   2HB   HIS  13          1HB       HIS  13 -10.139   4.948  -2.601
   87    HD1  HIS  13           HD1      HIS  13 -11.256   7.200  -2.926
   88    HD2  HIS  13           HD2      HIS  13 -14.013   4.323  -2.039
   89    HE1  HIS  13           HE1      HIS  13 -13.389   8.377  -2.554
   90    H    HIS  14           H        HIS  14  -8.923   3.296  -3.252
   91    HA   HIS  14           HA       HIS  14  -7.538   3.278  -5.842
   92   1HB   HIS  14          2HB       HIS  14  -5.938   4.897  -3.966
   93   2HB   HIS  14          1HB       HIS  14  -6.454   5.320  -5.586
   94    HD1  HIS  14           HD1      HIS  14  -7.272   5.967  -2.086
   95    HD2  HIS  14           HD2      HIS  14  -8.954   6.748  -5.719
   96    HE1  HIS  14           HE1      HIS  14  -9.004   7.679  -1.693
   97    H    GLN  15           H        GLN  15  -8.206   1.691  -3.367
   98    HA   GLN  15           HA       GLN  15  -5.905   0.964  -1.912
   99   1HB   GLN  15          2HB       GLN  15  -8.365  -0.595  -2.787
  100   2HB   GLN  15          1HB       GLN  15  -7.132  -1.364  -1.823
  101   1HG   GLN  15          2HG       GLN  15  -8.759  -0.524  -0.257
  102   2HG   GLN  15          1HG       GLN  15  -7.376   0.545  -0.125
  103   1HE2  GLN  15          2HE2      GLN  15  -9.109   3.374  -1.412
  104   2HE2  GLN  15          1HE2      GLN  15  -7.585   2.727  -1.036
  105    H    LYS  16           H        LYS  16  -7.055  -0.262  -4.987
  106    HA   LYS  16           HA       LYS  16  -5.161  -2.250  -5.444
  107   1HB   LYS  16          2HB       LYS  16  -7.090  -0.696  -7.035
  108   2HB   LYS  16          1HB       LYS  16  -5.660  -1.020  -7.986
  109   1HG   LYS  16          2HG       LYS  16  -7.319  -3.115  -6.525
  110   2HG   LYS  16          1HG       LYS  16  -7.336  -2.812  -8.252
  111   1HD   LYS  16          2HD       LYS  16  -4.683  -3.185  -7.984
  112   2HD   LYS  16          1HD       LYS  16  -5.185  -4.062  -6.551
  113   1HE   LYS  16          2HE       LYS  16  -5.104  -5.694  -8.331
  114   2HE   LYS  16          1HE       LYS  16  -6.809  -5.375  -8.054
  115   1HZ   LYS  16          1HZ       LYS  16  -7.000  -4.742 -10.135
  116   2HZ   LYS  16          3HZ       LYS  16  -5.847  -3.516  -9.911
  117   3HZ   LYS  16          2HZ       LYS  16  -5.354  -5.064 -10.405
  118    H    LEU  17           H        LEU  17  -4.949   1.121  -6.547
  119    HA   LEU  17           HA       LEU  17  -2.285   0.834  -7.552
  120   1HB   LEU  17          2HB       LEU  17  -2.517   3.035  -8.186
  121   2HB   LEU  17          1HB       LEU  17  -4.192   2.709  -7.842
  122    HG   LEU  17           HG       LEU  17  -3.737   3.603  -5.476
  123   1HD1  LEU  17          2HD1      LEU  17  -1.058   3.931  -6.680
  124   2HD1  LEU  17          1HD1      LEU  17  -1.676   5.484  -6.159
  125   3HD1  LEU  17          3HD1      LEU  17  -1.536   4.169  -5.012
  126   1HD2  LEU  17          3HD2      LEU  17  -5.001   4.798  -7.271
  127   2HD2  LEU  17          2HD2      LEU  17  -4.115   5.915  -6.245
  128   3HD2  LEU  17          1HD2      LEU  17  -3.498   5.507  -7.839
  129    H    VAL  18           H        VAL  18  -3.518   1.810  -4.353
  130    HA   VAL  18           HA       VAL  18  -1.154   2.712  -3.169
  131    HB   VAL  18           HB       VAL  18  -3.612   1.235  -2.136
  132   1HG1  VAL  18          3HG1      VAL  18  -1.244   2.149  -0.493
  133   2HG1  VAL  18          2HG1      VAL  18  -2.847   1.874   0.184
  134   3HG1  VAL  18          1HG1      VAL  18  -1.968   0.544  -0.549
  135   1HG2  VAL  18          2HG2      VAL  18  -3.596   3.709  -2.927
  136   2HG2  VAL  18          1HG2      VAL  18  -4.307   3.361  -1.362
  137   3HG2  VAL  18          3HG2      VAL  18  -2.689   4.037  -1.462
  138    H    PHE  19           H        PHE  19  -2.394  -0.604  -3.259
  139    HA   PHE  19           HA       PHE  19  -0.196  -1.898  -2.013
  140   1HB   PHE  19          2HB       PHE  19  -1.867  -3.109  -4.262
  141   2HB   PHE  19          1HB       PHE  19  -1.059  -3.972  -2.966
  142    HD1  PHE  19           HD1      PHE  19  -1.906  -2.115  -0.642
  143    HD2  PHE  19           HD2      PHE  19  -4.101  -3.821  -3.880
  144    HE1  PHE  19           HE1      PHE  19  -3.956  -2.004   0.683
  145    HE2  PHE  19           HE2      PHE  19  -6.150  -3.706  -2.540
  146    HZ   PHE  19           HZ       PHE  19  -6.082  -2.798  -0.256
  147    H    PHE  20           H        PHE  20  -0.864  -1.341  -5.412
  148    HA   PHE  20           HA       PHE  20   1.405  -2.508  -6.565
  149   1HB   PHE  20          2HB       PHE  20  -0.002  -1.821  -8.255
  150   2HB   PHE  20          1HB       PHE  20  -0.680  -0.531  -7.300
  151    HD1  PHE  20           HD2      PHE  20   2.312  -1.432  -9.302
  152    HD2  PHE  20           HD1      PHE  20  -0.098   1.748  -7.808
  153    HE1  PHE  20           HE2      PHE  20   3.576   0.166 -10.653
  154    HE2  PHE  20           HE1      PHE  20   1.161   3.338  -9.145
  155    HZ   PHE  20           HZ       PHE  20   3.010   2.564 -10.584
  156    H    ALA  21           H        ALA  21   1.008   0.873  -5.589
  157    HA   ALA  21           HA       ALA  21   3.594   1.838  -6.067
  158   1HB   ALA  21          1HB       ALA  21   1.618   3.240  -5.408
  159   2HB   ALA  21          3HB       ALA  21   1.745   2.627  -3.768
  160   3HB   ALA  21          2HB       ALA  21   3.034   3.615  -4.439
  161    H    GLU  22           H        GLU  22   2.382   0.367  -3.093
  162    HA   GLU  22           HA       GLU  22   4.748   0.588  -1.562
  163   1HB   GLU  22          2HB       GLU  22   2.850  -0.119  -0.347
  164   2HB   GLU  22          1HB       GLU  22   2.307  -1.211  -1.586
  165   1HG   GLU  22          2HG       GLU  22   4.815  -1.788   0.030
  166   2HG   GLU  22          1HG       GLU  22   3.227  -2.199   0.649
  167    H    ASP  23           H        ASP  23   3.695  -2.052  -3.662
  168    HA   ASP  23           HA       ASP  23   5.914  -3.759  -3.449
  169   1HB   ASP  23          2HB       ASP  23   3.649  -3.984  -4.826
  170   2HB   ASP  23          1HB       ASP  23   4.566  -3.268  -6.118
  171    H    VAL  24           H        VAL  24   5.303  -1.242  -5.742
  172    HA   VAL  24           HA       VAL  24   7.620  -1.196  -7.261
  173    HB   VAL  24           HB       VAL  24   5.863   1.133  -6.381
  174   1HG1  VAL  24          1HG1      VAL  24   7.727   0.865  -8.732
  175   2HG1  VAL  24          3HG1      VAL  24   6.505   2.122  -8.554
  176   3HG1  VAL  24          2HG1      VAL  24   7.829   2.023  -7.403
  177   1HG2  VAL  24          3HG2      VAL  24   5.089  -1.169  -7.739
  178   2HG2  VAL  24          2HG2      VAL  24   4.282   0.386  -7.788
  179   3HG2  VAL  24          1HG2      VAL  24   5.433  -0.056  -9.042
  180    H    GLY  25           H        GLY  25   6.944   0.598  -4.355
  181   1HA   GLY  25          2HA       GLY  25   9.159   2.181  -3.947
  182   2HA   GLY  25          1HA       GLY  25   8.355   1.354  -2.620
  183    H    SER  26           H        SER  26   8.922  -1.206  -3.149
  184    HA   SER  26           HA       SER  26  11.712  -1.417  -2.304
  185   1HB   SER  26          2HB       SER  26   9.870  -2.786  -1.242
  186   2HB   SER  26          1HB       SER  26   9.711  -3.681  -2.759
  187    HG   SER  26           HG       SER  26  12.302  -3.482  -2.119
  188    H    ASN  27           H        ASN  27   9.798  -2.759  -4.906
  189    HA   ASN  27           HA       ASN  27  11.687  -4.209  -6.316
  190   1HB   ASN  27          2HB       ASN  27   9.181  -2.698  -7.074
  191   2HB   ASN  27          1HB       ASN  27  10.098  -3.495  -8.326
  192   1HD2  ASN  27          2HD2      ASN  27   8.431  -6.511  -7.566
  193   2HD2  ASN  27          1HD2      ASN  27   9.025  -5.449  -8.750
  194    H    LYS  28           H        LYS  28  10.943  -0.830  -6.861
  195    HA   LYS  28           HA       LYS  28  12.521  -0.313  -9.098
  196   1HB   LYS  28          2HB       LYS  28  12.436   1.994  -8.410
  197   2HB   LYS  28          1HB       LYS  28  10.926   1.226  -7.964
  198   1HG   LYS  28          2HG       LYS  28  12.065   0.836  -5.627
  199   2HG   LYS  28          1HG       LYS  28  13.205   2.064  -6.136
  200   1HD   LYS  28          2HD       LYS  28  10.178   2.472  -6.117
  201   2HD   LYS  28          1HD       LYS  28  11.237   2.948  -4.804
  202   1HE   LYS  28          2HE       LYS  28  12.556   4.340  -6.513
  203   2HE   LYS  28          1HE       LYS  28  11.237   4.039  -7.639
  204   1HZ   LYS  28          1HZ       LYS  28  10.144   4.857  -5.203
  205   2HZ   LYS  28          3HZ       LYS  28  11.384   5.942  -5.615
  206   3HZ   LYS  28          2HZ       LYS  28  10.112   5.653  -6.703
  207    H    GLY  29           H        GLY  29  13.553  -0.624  -5.730
  208   1HA   GLY  29          2HA       GLY  29  16.201   0.365  -5.978
  209   2HA   GLY  29          1HA       GLY  29  15.701  -0.872  -4.820
  210    H    ALA  30           H        ALA  30  15.067  -2.991  -6.146
  211    HA   ALA  30           HA       ALA  30  17.542  -4.102  -7.065
  212   1HB   ALA  30          1HB       ALA  30  14.683  -5.098  -7.501
  213   2HB   ALA  30          3HB       ALA  30  16.125  -6.072  -7.751
  214   3HB   ALA  30          2HB       ALA  30  15.714  -5.509  -6.139
  215    H    ILE  31           H        ILE  31  14.729  -2.994  -8.833
  216    HA   ILE  31           HA       ILE  31  15.466  -3.668 -11.437
  217    HB   ILE  31           HB       ILE  31  13.815  -1.470 -10.142
  218   1HG1  ILE  31          2HG1      ILE  31  13.033  -3.909 -11.786
  219   2HG1  ILE  31          1HG1      ILE  31  13.092  -3.879 -10.046
  220   1HG2  ILE  31          3HG2      ILE  31  13.979  -1.915 -13.143
  221   2HG2  ILE  31          2HG2      ILE  31  12.812  -0.885 -12.323
  222   3HG2  ILE  31          1HG2      ILE  31  14.510  -0.479 -12.271
  223   1HD1  ILE  31          1HD1      ILE  31  11.406  -1.932 -10.125
  224   2HD1  ILE  31          3HD1      ILE  31  11.176  -2.340 -11.820
  225   3HD1  ILE  31          2HD1      ILE  31  10.802  -3.516 -10.575
  226    H    ILE  32           H        ILE  32  16.198  -0.627  -9.715
  227    HA   ILE  32           HA       ILE  32  17.664   0.526 -11.845
  228    HB   ILE  32           HB       ILE  32  18.027   0.813  -8.809
  229   1HG1  ILE  32          2HG1      ILE  32  16.618   2.766 -10.660
  230   2HG1  ILE  32          1HG1      ILE  32  15.752   1.387 -10.064
  231   1HG2  ILE  32          3HG2      ILE  32  19.066   2.536 -11.111
  232   2HG2  ILE  32          2HG2      ILE  32  19.038   3.080  -9.442
  233   3HG2  ILE  32          1HG2      ILE  32  20.027   1.707  -9.897
  234   1HD1  ILE  32          1HD1      ILE  32  16.427   2.093  -7.692
  235   2HD1  ILE  32          3HD1      ILE  32  17.002   3.596  -8.397
  236   3HD1  ILE  32          2HD1      ILE  32  15.304   3.166  -8.509
  237    H    GLY  33           H        GLY  33  18.710  -1.547  -9.189
  238   1HA   GLY  33          2HA       GLY  33  21.472  -1.617  -9.757
  239   2HA   GLY  33          1HA       GLY  33  20.591  -2.954  -9.020
  240    H    LEU  34           H        LEU  34  19.006  -3.907 -10.943
  241    HA   LEU  34           HA       LEU  34  20.859  -5.282 -12.660
  242   1HB   LEU  34          2HB       LEU  34  18.734  -6.148 -13.850
  243   2HB   LEU  34          1HB       LEU  34  18.908  -6.506 -12.153
  244    HG   LEU  34           HG       LEU  34  17.468  -4.243 -11.933
  245   1HD1  LEU  34          1HD1      LEU  34  17.285  -4.015 -14.471
  246   2HD1  LEU  34          3HD1      LEU  34  16.447  -5.554 -14.500
  247   3HD1  LEU  34          2HD1      LEU  34  15.728  -4.175 -13.686
  248   1HD2  LEU  34          1HD2      LEU  34  16.512  -7.087 -12.370
  249   2HD2  LEU  34          3HD2      LEU  34  16.816  -6.275 -10.842
  250   3HD2  LEU  34          2HD2      LEU  34  15.440  -5.811 -11.825
  251    H    MET  35           H        MET  35  18.728  -2.515 -13.291
  252    HA   MET  35           HA       MET  35  19.054  -2.404 -16.098
  253   1HB   MET  35          2HB       MET  35  17.394  -1.098 -14.667
  254   2HB   MET  35          1HB       MET  35  18.713  -0.060 -14.165
  255   1HG   MET  35          2HG       MET  35  17.449   0.926 -16.013
  256   2HG   MET  35          1HG       MET  35  19.101   0.621 -16.474
  257   1HE   MET  35          3HE       MET  35  18.408   1.225 -18.876
  258   2HE   MET  35          2HE       MET  35  17.142   0.412 -19.795
  259   3HE   MET  35          1HE       MET  35  16.717   1.418 -18.410
  260    H    VAL  36           H        VAL  36  20.830  -0.937 -13.478
  261    HA   VAL  36           HA       VAL  36  22.760   0.544 -14.889
  262    HB   VAL  36           HB       VAL  36  22.680  -0.779 -12.127
  263   1HG1  VAL  36          2HG1      VAL  36  25.004   0.791 -13.339
  264   2HG1  VAL  36          1HG1      VAL  36  24.775   0.605 -11.607
  265   3HG1  VAL  36          3HG1      VAL  36  25.064  -0.806 -12.606
  266   1HG2  VAL  36          3HG2      VAL  36  21.339   1.336 -12.768
  267   2HG2  VAL  36          2HG2      VAL  36  22.353   1.450 -11.340
  268   3HG2  VAL  36          1HG2      VAL  36  22.883   2.163 -12.856
  269    H    GLY  37           H        GLY  37  23.015  -2.753 -13.561
  270   1HA   GLY  37          2HA       GLY  37  24.370  -3.786 -15.873
  271   2HA   GLY  37          1HA       GLY  37  25.551  -3.388 -14.632
  272    H    GLY  38           H        GLY  38  23.331  -4.125 -12.616
  273   1HA   GLY  38          2HA       GLY  38  22.648  -5.995 -11.423
  274   2HA   GLY  38          1HA       GLY  38  22.840  -6.943 -12.891
  275    H    VAL  39           H        VAL  39  25.741  -5.497 -12.443
  276    HA   VAL  39           HA       VAL  39  26.916  -7.899 -11.222
  277    HB   VAL  39           HB       VAL  39  28.528  -5.530 -12.270
  278   1HG1  VAL  39          1HG1      VAL  39  29.716  -7.466 -11.212
  279   2HG1  VAL  39          3HG1      VAL  39  28.970  -8.551 -12.374
  280   3HG1  VAL  39          2HG1      VAL  39  30.112  -7.333 -12.914
  281   1HG2  VAL  39          3HG2      VAL  39  27.002  -7.540 -13.962
  282   2HG2  VAL  39          2HG2      VAL  39  27.076  -5.792 -14.138
  283   3HG2  VAL  39          1HG2      VAL  39  28.465  -6.771 -14.555
  284    H    VAL  40           H        VAL  40  25.382  -6.068  -9.680
  285    HA   VAL  40           HA       VAL  40  27.033  -4.352  -8.072
  286    HB   VAL  40           HB       VAL  40  24.320  -5.614  -7.413
  287   1HG1  VAL  40          3HG1      VAL  40  25.789  -3.202  -6.257
  288   2HG1  VAL  40          2HG1      VAL  40  24.096  -3.555  -5.949
  289   3HG1  VAL  40          1HG1      VAL  40  25.335  -4.668  -5.402
  290   1HG2  VAL  40          2HG2      VAL  40  25.018  -2.984  -8.802
  291   2HG2  VAL  40          1HG2      VAL  40  24.197  -4.354  -9.533
  292   3HG2  VAL  40          3HG2      VAL  40  23.403  -3.430  -8.274
   
  No H/Q in entry =         292
  Start of MODEL    7
    1   1H    ASP   1          1H        ASP   1 -28.370   1.511 -22.489
    2   2H    ASP   1          3H        ASP   1 -28.890   0.380 -23.644
    3   3H    ASP   1          2H        ASP   1 -29.776   1.805 -23.392
    4    HA   ASP   1           HA       ASP   1 -30.997   0.840 -21.864
    5   1HB   ASP   1          2HB       ASP   1 -29.160  -1.563 -22.308
    6   2HB   ASP   1          1HB       ASP   1 -30.690  -1.626 -21.444
    7    H    ALA   2           H        ALA   2 -31.104   0.116 -19.660
    8    HA   ALA   2           HA       ALA   2 -28.687   0.035 -18.013
    9   1HB   ALA   2          1HB       ALA   2 -29.258   2.541 -18.472
   10   2HB   ALA   2          3HB       ALA   2 -30.668   2.283 -17.461
   11   3HB   ALA   2          2HB       ALA   2 -29.056   2.081 -16.793
   12    H    GLU   3           H        GLU   3 -29.065  -1.113 -16.219
   13    HA   GLU   3           HA       GLU   3 -31.625  -2.423 -15.863
   14   1HB   GLU   3          2HB       GLU   3 -29.306  -2.412 -13.891
   15   2HB   GLU   3          1HB       GLU   3 -30.561  -3.617 -14.041
   16   1HG   GLU   3          2HG       GLU   3 -29.043  -4.754 -15.322
   17   2HG   GLU   3          1HG       GLU   3 -29.537  -3.673 -16.609
   18    H    PHE   4           H        PHE   4 -30.231   0.429 -14.709
   19    HA   PHE   4           HA       PHE   4 -30.851   2.054 -13.210
   20   1HB   PHE   4          2HB       PHE   4 -33.144   1.319 -14.594
   21   2HB   PHE   4          1HB       PHE   4 -33.683   1.054 -12.948
   22    HD1  PHE   4           HD2      PHE   4 -32.391   3.565 -15.333
   23    HD2  PHE   4           HD1      PHE   4 -33.943   2.943 -11.409
   24    HE1  PHE   4           HE2      PHE   4 -32.683   5.984 -15.060
   25    HE2  PHE   4           HE1      PHE   4 -34.232   5.362 -11.143
   26    HZ   PHE   4           HZ       PHE   4 -33.604   6.889 -12.966
   27    H    ARG   5           H        ARG   5 -30.111  -0.646 -12.357
   28    HA   ARG   5           HA       ARG   5 -30.617  -0.354  -9.455
   29   1HB   ARG   5          2HB       ARG   5 -31.182  -2.904 -11.061
   30   2HB   ARG   5          1HB       ARG   5 -31.115  -2.857  -9.309
   31   1HG   ARG   5          2HG       ARG   5 -32.985  -1.178  -9.303
   32   2HG   ARG   5          1HG       ARG   5 -33.091  -1.321 -11.050
   33   1HD   ARG   5          2HD       ARG   5 -33.422  -3.863 -10.677
   34   2HD   ARG   5          1HD       ARG   5 -33.698  -3.459  -8.980
   35    HE   ARG   5           HE       ARG   5 -35.330  -1.731 -10.487
   36   1HH1  ARG   5          2HH1      ARG   5 -34.949  -5.135  -9.944
   37   2HH1  ARG   5          1HH1      ARG   5 -36.622  -5.481 -10.217
   38   1HH2  ARG   5          1HH2      ARG   5 -37.446  -2.143 -10.838
   39   2HH2  ARG   5          2HH2      ARG   5 -38.065  -3.758 -10.733
   40    H    HIS   6           H        HIS   6 -28.431   0.227 -11.081
   41    HA   HIS   6           HA       HIS   6 -26.350  -1.348  -9.796
   42   1HB   HIS   6          2HB       HIS   6 -25.232  -1.968 -11.955
   43   2HB   HIS   6          1HB       HIS   6 -26.867  -2.612 -11.956
   44    HD1  HIS   6           HD1      HIS   6 -28.543  -0.426 -12.962
   45    HD2  HIS   6           HD2      HIS   6 -24.747  -0.864 -14.405
   46    HE1  HIS   6           HE1      HIS   6 -28.479   0.744 -15.135
   47    H    ASP   7           H        ASP   7 -27.534   1.328 -10.134
   48    HA   ASP   7           HA       ASP   7 -25.270   2.997 -11.006
   49   1HB   ASP   7          2HB       ASP   7 -27.204   4.791 -10.319
   50   2HB   ASP   7          1HB       ASP   7 -27.144   4.039 -11.899
   51    H    SER   8           H        SER   8 -23.922   3.814  -9.587
   52    HA   SER   8           HA       SER   8 -22.900   4.412  -7.592
   53   1HB   SER   8          2HB       SER   8 -24.932   6.060  -7.684
   54   2HB   SER   8          1HB       SER   8 -25.704   5.008  -6.489
   55    HG   SER   8           HG       SER   8 -24.397   5.771  -5.062
   56    H    GLY   9           H        GLY   9 -23.357   1.737  -7.948
   57   1HA   GLY   9          2HA       GLY   9 -24.573   0.426  -5.682
   58   2HA   GLY   9          1HA       GLY   9 -23.478  -0.320  -6.846
   59    H    TYR  10           H        TYR  10 -21.185   0.409  -6.648
   60    HA   TYR  10           HA       TYR  10 -20.166   1.380  -4.132
   61   1HB   TYR  10          2HB       TYR  10 -20.791  -0.856  -3.275
   62   2HB   TYR  10          1HB       TYR  10 -20.000  -1.640  -4.634
   63    HD1  TYR  10           HD1      TYR  10 -19.330   0.574  -1.692
   64    HD2  TYR  10           HD2      TYR  10 -17.662  -2.137  -4.526
   65    HE1  TYR  10           HE1      TYR  10 -17.208   0.596  -0.469
   66    HE2  TYR  10           HE2      TYR  10 -15.544  -2.112  -3.299
   67    HH   TYR  10           HH       TYR  10 -14.476  -0.074  -1.516
   68    H    GLU  11           H        GLU  11 -17.953   1.523  -4.050
   69    HA   GLU  11           HA       GLU  11 -16.174   0.622  -6.134
   70   1HB   GLU  11          2HB       GLU  11 -17.544   2.681  -7.101
   71   2HB   GLU  11          1HB       GLU  11 -16.575   3.648  -6.016
   72   1HG   GLU  11          2HG       GLU  11 -15.191   1.667  -7.861
   73   2HG   GLU  11          1HG       GLU  11 -15.776   3.174  -8.531
   74    H    VAL  12           H        VAL  12 -14.051   0.880  -5.486
   75    HA   VAL  12           HA       VAL  12 -13.613   1.501  -2.654
   76    HB   VAL  12           HB       VAL  12 -11.269   0.727  -3.148
   77   1HG1  VAL  12          2HG1      VAL  12 -13.410  -1.066  -4.348
   78   2HG1  VAL  12          1HG1      VAL  12 -11.805  -1.584  -3.860
   79   3HG1  VAL  12          3HG1      VAL  12 -12.935  -0.993  -2.657
   80   1HG2  VAL  12          2HG2      VAL  12 -11.115   1.690  -5.485
   81   2HG2  VAL  12          1HG2      VAL  12 -10.604   0.017  -5.393
   82   3HG2  VAL  12          3HG2      VAL  12 -12.184   0.414  -6.045
   83    H    HIS  13           H        HIS  13 -10.948   2.511  -3.075
   84    HA   HIS  13           HA       HIS  13 -11.507   5.324  -3.967
   85   1HB   HIS  13          2HB       HIS  13 -10.017   4.235  -1.544
   86   2HB   HIS  13          1HB       HIS  13  -9.740   5.874  -2.132
   87    HD1  HIS  13           HD1      HIS  13 -12.583   3.761  -0.909
   88    HD2  HIS  13           HD2      HIS  13 -11.698   7.705  -1.466
   89    HE1  HIS  13           HE1      HIS  13 -14.448   5.036   0.087
   90    H    HIS  14           H        HIS  14  -8.542   3.810  -2.903
   91    HA   HIS  14           HA       HIS  14  -7.520   3.531  -5.641
   92   1HB   HIS  14          2HB       HIS  14  -5.481   4.950  -4.052
   93   2HB   HIS  14          1HB       HIS  14  -6.140   5.404  -5.610
   94    HD1  HIS  14           HD1      HIS  14  -6.379   6.230  -2.066
   95    HD2  HIS  14           HD2      HIS  14  -8.419   7.183  -5.468
   96    HE1  HIS  14           HE1      HIS  14  -7.781   8.181  -1.507
   97    H    GLN  15           H        GLN  15  -8.080   2.031  -3.100
   98    HA   GLN  15           HA       GLN  15  -5.807   1.052  -1.820
   99   1HB   GLN  15          2HB       GLN  15  -8.267   0.391  -1.442
  100   2HB   GLN  15          1HB       GLN  15  -8.078  -0.757  -2.753
  101   1HG   GLN  15          2HG       GLN  15  -6.139  -1.801  -1.490
  102   2HG   GLN  15          1HG       GLN  15  -6.461  -0.700  -0.158
  103   1HE2  GLN  15          2HE2      GLN  15  -9.629  -2.311   0.632
  104   2HE2  GLN  15          1HE2      GLN  15  -8.972  -0.753   0.487
  105    H    LYS  16           H        LYS  16  -7.128  -0.043  -4.863
  106    HA   LYS  16           HA       LYS  16  -5.389  -2.152  -5.471
  107   1HB   LYS  16          2HB       LYS  16  -5.844  -1.484  -7.929
  108   2HB   LYS  16          1HB       LYS  16  -7.229  -1.840  -6.930
  109   1HG   LYS  16          2HG       LYS  16  -8.102   0.169  -7.507
  110   2HG   LYS  16          1HG       LYS  16  -6.865   0.951  -6.555
  111   1HD   LYS  16          2HD       LYS  16  -5.355   0.716  -8.684
  112   2HD   LYS  16          1HD       LYS  16  -6.847   0.371  -9.530
  113   1HE   LYS  16          2HE       LYS  16  -7.787   2.532  -8.928
  114   2HE   LYS  16          1HE       LYS  16  -6.481   2.853  -7.796
  115   1HZ   LYS  16          1HZ       LYS  16  -5.356   2.297 -10.289
  116   2HZ   LYS  16          3HZ       LYS  16  -6.593   3.439 -10.513
  117   3HZ   LYS  16          2HZ       LYS  16  -5.336   3.752  -9.413
  118    H    LEU  17           H        LEU  17  -4.962   1.176  -6.651
  119    HA   LEU  17           HA       LEU  17  -2.320   0.694  -7.636
  120   1HB   LEU  17          2HB       LEU  17  -2.371   2.906  -8.321
  121   2HB   LEU  17          1HB       LEU  17  -4.072   2.639  -8.082
  122    HG   LEU  17           HG       LEU  17  -3.712   3.596  -5.690
  123   1HD1  LEU  17          3HD1      LEU  17  -0.989   3.840  -6.798
  124   2HD1  LEU  17          2HD1      LEU  17  -1.608   5.424  -6.388
  125   3HD1  LEU  17          1HD1      LEU  17  -1.538   4.171  -5.169
  126   1HD2  LEU  17          2HD2      LEU  17  -3.422   5.351  -8.163
  127   2HD2  LEU  17          1HD2      LEU  17  -4.934   4.757  -7.499
  128   3HD2  LEU  17          3HD2      LEU  17  -3.970   5.908  -6.588
  129    H    VAL  18           H        VAL  18  -3.476   1.837  -4.465
  130    HA   VAL  18           HA       VAL  18  -1.053   2.694  -3.361
  131    HB   VAL  18           HB       VAL  18  -3.513   1.316  -2.201
  132   1HG1  VAL  18          2HG1      VAL  18  -1.048   2.251  -0.737
  133   2HG1  VAL  18          1HG1      VAL  18  -2.625   2.214   0.043
  134   3HG1  VAL  18          3HG1      VAL  18  -1.923   0.730  -0.578
  135   1HG2  VAL  18          2HG2      VAL  18  -3.453   3.769  -3.162
  136   2HG2  VAL  18          1HG2      VAL  18  -4.238   3.472  -1.623
  137   3HG2  VAL  18          3HG2      VAL  18  -2.620   4.153  -1.668
  138    H    PHE  19           H        PHE  19  -2.456  -0.562  -3.199
  139    HA   PHE  19           HA       PHE  19  -0.343  -1.939  -1.973
  140   1HB   PHE  19          2HB       PHE  19  -2.478  -2.743  -3.973
  141   2HB   PHE  19          1HB       PHE  19  -1.263  -3.917  -3.506
  142    HD1  PHE  19           HD2      PHE  19  -3.023  -1.284  -1.419
  143    HD2  PHE  19           HD1      PHE  19  -2.330  -5.443  -2.096
  144    HE1  PHE  19           HE2      PHE  19  -4.283  -1.826   0.596
  145    HE2  PHE  19           HE1      PHE  19  -3.600  -5.971  -0.069
  146    HZ   PHE  19           HZ       PHE  19  -4.580  -4.167   1.283
  147    H    PHE  20           H        PHE  20  -0.909  -1.412  -5.395
  148    HA   PHE  20           HA       PHE  20   1.373  -2.661  -6.471
  149   1HB   PHE  20          2HB       PHE  20   0.004  -2.023  -8.205
  150   2HB   PHE  20          1HB       PHE  20  -0.693  -0.705  -7.305
  151    HD1  PHE  20           HD1      PHE  20   2.393  -1.641  -9.160
  152    HD2  PHE  20           HD2      PHE  20  -0.186   1.540  -7.979
  153    HE1  PHE  20           HE1      PHE  20   3.651  -0.090 -10.570
  154    HE2  PHE  20           HE2      PHE  20   1.069   3.083  -9.371
  155    HZ   PHE  20           HZ       PHE  20   2.999   2.284 -10.685
  156    H    ALA  21           H        ALA  21   0.960   0.717  -5.530
  157    HA   ALA  21           HA       ALA  21   3.516   1.734  -5.991
  158   1HB   ALA  21          1HB       ALA  21   1.349   2.946  -5.182
  159   2HB   ALA  21          3HB       ALA  21   1.877   2.541  -3.557
  160   3HB   ALA  21          2HB       ALA  21   2.881   3.553  -4.579
  161    H    GLU  22           H        GLU  22   2.371   0.147  -3.049
  162    HA   GLU  22           HA       GLU  22   4.752   0.446  -1.518
  163   1HB   GLU  22          2HB       GLU  22   2.557  -1.663  -1.544
  164   2HB   GLU  22          1HB       GLU  22   3.988  -1.970  -0.586
  165   1HG   GLU  22          2HG       GLU  22   2.553  -0.901   0.951
  166   2HG   GLU  22          1HG       GLU  22   3.597   0.408   0.434
  167    H    ASP  23           H        ASP  23   3.826  -2.188  -3.666
  168    HA   ASP  23           HA       ASP  23   6.141  -3.773  -3.541
  169   1HB   ASP  23          2HB       ASP  23   3.905  -4.109  -4.902
  170   2HB   ASP  23          1HB       ASP  23   4.717  -3.239  -6.173
  171    H    VAL  24           H        VAL  24   5.383  -1.204  -5.726
  172    HA   VAL  24           HA       VAL  24   7.733  -0.967  -7.224
  173    HB   VAL  24           HB       VAL  24   5.838   1.257  -6.330
  174   1HG1  VAL  24          1HG1      VAL  24   7.832   2.100  -7.471
  175   2HG1  VAL  24          3HG1      VAL  24   7.509   1.025  -8.830
  176   3HG1  VAL  24          2HG1      VAL  24   6.379   2.319  -8.433
  177   1HG2  VAL  24          1HG2      VAL  24   5.134  -1.107  -7.674
  178   2HG2  VAL  24          3HG2      VAL  24   4.237   0.397  -7.661
  179   3HG2  VAL  24          2HG2      VAL  24   5.359   0.047  -8.967
  180    H    GLY  25           H        GLY  25   6.867   0.693  -4.281
  181   1HA   GLY  25          2HA       GLY  25   9.019   2.381  -3.807
  182   2HA   GLY  25          1HA       GLY  25   8.154   1.556  -2.514
  183    H    SER  26           H        SER  26   8.744  -0.964  -2.826
  184    HA   SER  26           HA       SER  26  11.186  -1.440  -1.558
  185   1HB   SER  26          2HB       SER  26  10.072  -3.473  -3.555
  186   2HB   SER  26          1HB       SER  26  10.832  -3.779  -1.988
  187    HG   SER  26           HG       SER  26   8.263  -3.199  -2.566
  188    H    ASN  27           H        ASN  27  10.549  -1.877  -4.957
  189    HA   ASN  27           HA       ASN  27  13.239  -2.309  -5.810
  190   1HB   ASN  27          2HB       ASN  27  10.577  -1.819  -7.052
  191   2HB   ASN  27          1HB       ASN  27  11.894  -1.258  -8.051
  192   1HD2  ASN  27          2HD2      ASN  27  13.085  -4.529  -8.782
  193   2HD2  ASN  27          1HD2      ASN  27  13.445  -2.872  -8.831
  194    H    LYS  28           H        LYS  28  11.278   0.539  -5.913
  195    HA   LYS  28           HA       LYS  28  12.870   2.435  -7.126
  196   1HB   LYS  28          2HB       LYS  28  10.652   2.366  -5.267
  197   2HB   LYS  28          1HB       LYS  28  11.714   3.677  -4.806
  198   1HG   LYS  28          2HG       LYS  28  11.456   4.762  -6.931
  199   2HG   LYS  28          1HG       LYS  28  10.837   3.307  -7.692
  200   1HD   LYS  28          2HD       LYS  28   8.898   4.642  -7.336
  201   2HD   LYS  28          1HD       LYS  28   8.845   3.451  -6.053
  202   1HE   LYS  28          2HE       LYS  28   9.989   5.157  -4.532
  203   2HE   LYS  28          1HE       LYS  28   9.783   6.339  -5.820
  204   1HZ   LYS  28          3HZ       LYS  28   7.341   5.042  -5.417
  205   2HZ   LYS  28          2HZ       LYS  28   7.938   5.522  -3.902
  206   3HZ   LYS  28          1HZ       LYS  28   7.737   6.669  -5.137
  207    H    GLY  29           H        GLY  29  13.035   1.473  -3.709
  208   1HA   GLY  29          2HA       GLY  29  15.039   3.187  -2.784
  209   2HA   GLY  29          1HA       GLY  29  14.858   1.525  -2.218
  210    H    ALA  30           H        ALA  30  15.526  -0.025  -4.200
  211    HA   ALA  30           HA       ALA  30  18.395   0.167  -4.345
  212   1HB   ALA  30          2HB       ALA  30  17.124  -1.991  -4.528
  213   2HB   ALA  30          1HB       ALA  30  16.524  -1.496  -6.102
  214   3HB   ALA  30          3HB       ALA  30  18.241  -1.792  -5.867
  215    H    ILE  31           H        ILE  31  15.937   0.728  -6.769
  216    HA   ILE  31           HA       ILE  31  17.443   1.361  -9.014
  217    HB   ILE  31           HB       ILE  31  14.766   2.249  -7.895
  218   1HG1  ILE  31          2HG1      ILE  31  15.526   0.487 -10.253
  219   2HG1  ILE  31          1HG1      ILE  31  15.144  -0.106  -8.659
  220   1HG2  ILE  31          1HG2      ILE  31  15.781   3.047 -10.639
  221   2HG2  ILE  31          3HG2      ILE  31  14.136   3.254 -10.045
  222   3HG2  ILE  31          2HG2      ILE  31  15.444   4.139  -9.296
  223   1HD1  ILE  31          3HD1      ILE  31  12.863   1.063  -8.877
  224   2HD1  ILE  31          2HD1      ILE  31  13.244   1.264 -10.582
  225   3HD1  ILE  31          1HD1      ILE  31  13.122  -0.343  -9.893
  226    H    ILE  32           H        ILE  32  16.380   3.582  -6.485
  227    HA   ILE  32           HA       ILE  32  17.602   5.921  -7.474
  228    HB   ILE  32           HB       ILE  32  17.047   5.028  -4.596
  229   1HG1  ILE  32          2HG1      ILE  32  15.426   6.979  -6.276
  230   2HG1  ILE  32          1HG1      ILE  32  15.146   5.272  -6.428
  231   1HG2  ILE  32          1HG2      ILE  32  17.731   7.785  -5.721
  232   2HG2  ILE  32          3HG2      ILE  32  17.054   7.539  -4.119
  233   3HG2  ILE  32          2HG2      ILE  32  18.633   6.888  -4.511
  234   1HD1  ILE  32          1HD1      ILE  32  14.854   5.207  -3.865
  235   2HD1  ILE  32          3HD1      ILE  32  14.782   6.961  -3.940
  236   3HD1  ILE  32          2HD1      ILE  32  13.582   5.994  -4.780
  237    H    GLY  33           H        GLY  33  18.796   3.552  -5.137
  238   1HA   GLY  33          2HA       GLY  33  21.358   4.580  -4.657
  239   2HA   GLY  33          1HA       GLY  33  21.007   2.849  -4.685
  240    H    LEU  34           H        LEU  34  20.283   2.599  -7.360
  241    HA   LEU  34           HA       LEU  34  22.836   2.353  -8.626
  242   1HB   LEU  34          2HB       LEU  34  19.978   2.033  -9.624
  243   2HB   LEU  34          1HB       LEU  34  21.342   1.748 -10.676
  244    HG   LEU  34           HG       LEU  34  21.346   0.369  -7.983
  245   1HD1  LEU  34          2HD1      LEU  34  19.594  -0.455 -10.329
  246   2HD1  LEU  34          1HD1      LEU  34  20.037  -1.534  -9.016
  247   3HD1  LEU  34          3HD1      LEU  34  19.079  -0.104  -8.686
  248   1HD2  LEU  34          3HD2      LEU  34  23.212   0.252  -9.791
  249   2HD2  LEU  34          2HD2      LEU  34  22.638  -1.278  -9.157
  250   3HD2  LEU  34          1HD2      LEU  34  22.090  -0.717 -10.728
  251    H    MET  35           H        MET  35  20.119   4.502  -9.491
  252    HA   MET  35           HA       MET  35  21.550   5.823 -11.592
  253   1HB   MET  35          2HB       MET  35  19.865   7.699 -11.297
  254   2HB   MET  35          1HB       MET  35  19.131   6.118 -11.448
  255   1HG   MET  35          2HG       MET  35  18.868   5.981  -9.054
  256   2HG   MET  35          1HG       MET  35  19.630   7.530  -8.825
  257   1HE   MET  35          2HE       MET  35  18.549   9.777  -9.087
  258   2HE   MET  35          1HE       MET  35  16.868   9.855  -8.556
  259   3HE   MET  35          3HE       MET  35  18.051   8.957  -7.607
  260    H    VAL  36           H        VAL  36  21.408   6.422  -8.164
  261    HA   VAL  36           HA       VAL  36  22.784   8.912  -8.074
  262    HB   VAL  36           HB       VAL  36  22.379   6.631  -6.073
  263   1HG1  VAL  36          1HG1      VAL  36  23.886   9.246  -5.637
  264   2HG1  VAL  36          3HG1      VAL  36  23.210   8.303  -4.318
  265   3HG1  VAL  36          2HG1      VAL  36  24.464   7.616  -5.330
  266   1HG2  VAL  36          3HG2      VAL  36  20.457   8.192  -6.781
  267   2HG2  VAL  36          2HG2      VAL  36  20.777   8.123  -5.059
  268   3HG2  VAL  36          1HG2      VAL  36  21.338   9.493  -6.004
  269    H    GLY  37           H        GLY  37  23.925   5.560  -7.678
  270   1HA   GLY  37          2HA       GLY  37  25.954   4.760  -8.730
  271   2HA   GLY  37          1HA       GLY  37  26.629   6.385  -8.632
  272    H    GLY  38           H        GLY  38  24.904   4.558  -6.186
  273   1HA   GLY  38          2HA       GLY  38  27.362   4.381  -4.486
  274   2HA   GLY  38          1HA       GLY  38  25.832   4.965  -3.827
  275    H    VAL  39           H        VAL  39  24.250   3.187  -5.397
  276    HA   VAL  39           HA       VAL  39  23.050   1.257  -4.985
  277    HB   VAL  39           HB       VAL  39  25.882   0.471  -5.642
  278   1HG1  VAL  39          2HG1      VAL  39  23.438  -1.307  -5.343
  279   2HG1  VAL  39          1HG1      VAL  39  24.484  -1.644  -6.710
  280   3HG1  VAL  39          3HG1      VAL  39  25.126  -1.722  -5.085
  281   1HG2  VAL  39          2HG2      VAL  39  24.757   1.887  -7.290
  282   2HG2  VAL  39          1HG2      VAL  39  25.005   0.285  -7.957
  283   3HG2  VAL  39          3HG2      VAL  39  23.419   0.750  -7.364
  284    H    VAL  40           H        VAL  40  23.925   2.478  -2.635
  285    HA   VAL  40           HA       VAL  40  25.019   0.561  -0.764
  286    HB   VAL  40           HB       VAL  40  23.381   3.073  -0.150
  287   1HG1  VAL  40          3HG1      VAL  40  25.421   1.478   1.475
  288   2HG1  VAL  40          2HG1      VAL  40  24.759   3.028   1.969
  289   3HG1  VAL  40          1HG1      VAL  40  23.706   1.634   1.825
  290   1HG2  VAL  40          3HG2      VAL  40  26.351   2.716  -0.748
  291   2HG2  VAL  40          2HG2      VAL  40  25.213   3.766  -1.576
  292   3HG2  VAL  40          1HG2      VAL  40  25.708   4.134   0.064
   
  No H/Q in entry =         292
  Start of MODEL    8
    1   1H    ASP   1          2H        ASP   1 -12.082 -13.341 -25.992
    2   2H    ASP   1          1H        ASP   1 -13.419 -14.383 -26.048
    3   3H    ASP   1          3H        ASP   1 -13.304 -13.090 -27.142
    4    HA   ASP   1           HA       ASP   1 -14.382 -11.777 -25.770
    5   1HB   ASP   1          2HB       ASP   1 -15.200 -12.760 -23.536
    6   2HB   ASP   1          1HB       ASP   1 -15.644 -13.677 -24.963
    7    H    ALA   2           H        ALA   2 -14.207 -10.403 -23.909
    8    HA   ALA   2           HA       ALA   2 -11.400 -10.059 -23.044
    9   1HB   ALA   2          2HB       ALA   2 -13.863  -8.295 -22.804
   10   2HB   ALA   2          1HB       ALA   2 -12.267  -7.839 -22.221
   11   3HB   ALA   2          3HB       ALA   2 -12.531  -8.099 -23.938
   12    H    GLU   3           H        GLU   3 -11.631 -12.004 -21.757
   13    HA   GLU   3           HA       GLU   3 -12.614 -11.402 -18.988
   14   1HB   GLU   3          2HB       GLU   3 -12.788 -14.087 -20.435
   15   2HB   GLU   3          1HB       GLU   3 -13.260 -13.799 -18.776
   16   1HG   GLU   3          2HG       GLU   3 -14.991 -12.183 -19.500
   17   2HG   GLU   3          1HG       GLU   3 -14.528 -12.404 -21.177
   18    H    PHE   4           H        PHE   4 -10.142 -10.794 -19.735
   19    HA   PHE   4           HA       PHE   4  -8.298 -12.968 -18.899
   20   1HB   PHE   4          2HB       PHE   4  -6.628 -10.855 -19.454
   21   2HB   PHE   4          1HB       PHE   4  -7.212 -11.952 -20.675
   22    HD1  PHE   4           HD1      PHE   4  -8.345  -8.778 -18.969
   23    HD2  PHE   4           HD2      PHE   4  -8.165 -11.022 -22.593
   24    HE1  PHE   4           HE1      PHE   4  -9.393  -6.926 -20.173
   25    HE2  PHE   4           HE2      PHE   4  -9.213  -9.159 -23.788
   26    HZ   PHE   4           HZ       PHE   4  -9.830  -7.108 -22.584
   27    H    ARG   5           H        ARG   5  -9.508 -12.768 -16.886
   28    HA   ARG   5           HA       ARG   5  -9.535 -12.357 -14.595
   29   1HB   ARG   5          2HB       ARG   5  -7.018 -12.570 -14.885
   30   2HB   ARG   5          1HB       ARG   5  -6.916 -10.836 -15.108
   31   1HG   ARG   5          2HG       ARG   5  -8.196 -10.727 -12.788
   32   2HG   ARG   5          1HG       ARG   5  -7.653 -12.381 -12.610
   33   1HD   ARG   5          2HD       ARG   5  -5.403 -11.764 -12.413
   34   2HD   ARG   5          1HD       ARG   5  -5.593 -10.340 -13.433
   35    HE   ARG   5           HE       ARG   5  -7.033 -10.162 -10.902
   36   1HH1  ARG   5          2HH1      ARG   5  -4.036  -9.650 -12.560
   37   2HH1  ARG   5          1HH1      ARG   5  -3.497  -8.434 -11.457
   38   1HH2  ARG   5          1HH2      ARG   5  -6.381  -8.645  -9.486
   39   2HH2  ARG   5          2HH2      ARG   5  -4.849  -7.856  -9.670
   40    H    HIS   6           H        HIS   6 -11.391 -11.104 -14.985
   41    HA   HIS   6           HA       HIS   6 -11.157  -8.184 -15.154
   42   1HB   HIS   6          2HB       HIS   6 -12.918  -9.632 -16.407
   43   2HB   HIS   6          1HB       HIS   6 -13.728  -9.808 -14.857
   44    HD1  HIS   6           HD1      HIS   6 -12.633  -7.049 -17.157
   45    HD2  HIS   6           HD2      HIS   6 -15.322  -7.647 -14.144
   46    HE1  HIS   6           HE1      HIS   6 -14.009  -5.005 -17.038
   47    H    ASP   7           H        ASP   7  -9.951  -9.019 -12.931
   48    HA   ASP   7           HA       ASP   7 -11.501  -9.251 -10.572
   49   1HB   ASP   7          2HB       ASP   7  -9.362  -8.853  -9.445
   50   2HB   ASP   7          1HB       ASP   7  -9.090  -9.879 -10.836
   51    H    SER   8           H        SER   8 -11.174  -7.609  -8.750
   52    HA   SER   8           HA       SER   8 -11.831  -5.595  -7.808
   53   1HB   SER   8          2HB       SER   8  -9.617  -4.943  -9.023
   54   2HB   SER   8          1HB       SER   8 -10.640  -4.215 -10.271
   55    HG   SER   8           HG       SER   8 -11.014  -2.654  -8.953
   56    H    GLY   9           H        GLY   9 -13.738  -6.939  -9.364
   57   1HA   GLY   9          2HA       GLY   9 -15.212  -5.366 -11.204
   58   2HA   GLY   9          1HA       GLY   9 -15.905  -6.639 -10.194
   59    H    TYR  10           H        TYR  10 -15.325  -5.578  -7.718
   60    HA   TYR  10           HA       TYR  10 -17.535  -3.799  -7.269
   61   1HB   TYR  10          2HB       TYR  10 -17.017  -5.193  -5.419
   62   2HB   TYR  10          1HB       TYR  10 -15.288  -4.957  -5.595
   63    HD1  TYR  10           HD2      TYR  10 -18.413  -3.406  -4.343
   64    HD2  TYR  10           HD1      TYR  10 -14.169  -3.073  -4.542
   65    HE1  TYR  10           HE2      TYR  10 -18.465  -1.654  -2.634
   66    HE2  TYR  10           HE1      TYR  10 -14.231  -1.323  -2.832
   67    HH   TYR  10           HH       TYR  10 -16.664  -0.785  -0.833
   68    H    GLU  11           H        GLU  11 -14.127  -3.424  -7.684
   69    HA   GLU  11           HA       GLU  11 -12.730  -1.641  -8.073
   70   1HB   GLU  11          2HB       GLU  11 -14.702  -1.090  -9.682
   71   2HB   GLU  11          1HB       GLU  11 -15.197   0.101  -8.497
   72   1HG   GLU  11          2HG       GLU  11 -12.529   0.736  -8.703
   73   2HG   GLU  11          1HG       GLU  11 -12.806   0.077 -10.306
   74    H    VAL  12           H        VAL  12 -11.705  -1.104  -6.303
   75    HA   VAL  12           HA       VAL  12 -12.972   0.077  -3.975
   76    HB   VAL  12           HB       VAL  12 -10.653   0.021  -3.046
   77   1HG1  VAL  12          3HG1      VAL  12 -12.035  -2.064  -3.052
   78   2HG1  VAL  12          2HG1      VAL  12 -11.289  -2.534  -4.572
   79   3HG1  VAL  12          1HG1      VAL  12 -10.315  -2.398  -3.117
   80   1HG2  VAL  12          1HG2      VAL  12  -9.899  -0.610  -5.936
   81   2HG2  VAL  12          3HG2      VAL  12  -9.226   0.615  -4.875
   82   3HG2  VAL  12          2HG2      VAL  12  -8.866  -1.079  -4.602
   83    H    HIS  13           H        HIS  13 -11.324   1.857  -3.065
   84    HA   HIS  13           HA       HIS  13 -11.936   4.265  -4.596
   85   1HB   HIS  13          2HB       HIS  13 -11.074   3.603  -1.857
   86   2HB   HIS  13          1HB       HIS  13 -10.106   4.926  -2.477
   87    HD1  HIS  13           HD1      HIS  13 -13.232   4.392  -0.917
   88    HD2  HIS  13           HD2      HIS  13 -11.895   7.050  -3.713
   89    HE1  HIS  13           HE1      HIS  13 -14.843   6.261  -0.926
   90    H    HIS  14           H        HIS  14  -8.884   3.300  -3.186
   91    HA   HIS  14           HA       HIS  14  -7.474   3.396  -5.753
   92   1HB   HIS  14          2HB       HIS  14  -5.887   4.934  -3.809
   93   2HB   HIS  14          1HB       HIS  14  -6.415   5.440  -5.397
   94    HD1  HIS  14           HD1      HIS  14  -7.214   5.907  -1.862
   95    HD2  HIS  14           HD2      HIS  14  -8.926   6.871  -5.440
   96    HE1  HIS  14           HE1      HIS  14  -8.950   7.590  -1.371
   97    H    GLN  15           H        GLN  15  -8.160   1.760  -3.274
   98    HA   GLN  15           HA       GLN  15  -5.857   0.952  -1.873
   99   1HB   GLN  15          2HB       GLN  15  -8.500  -0.209  -2.541
  100   2HB   GLN  15          1HB       GLN  15  -7.300  -1.434  -2.219
  101   1HG   GLN  15          2HG       GLN  15  -6.928  -0.620   0.009
  102   2HG   GLN  15          1HG       GLN  15  -7.693   0.925  -0.336
  103   1HE2  GLN  15          2HE2      GLN  15 -10.115  -2.364   0.176
  104   2HE2  GLN  15          1HE2      GLN  15  -8.546  -2.582  -0.438
  105    H    LYS  16           H        LYS  16  -7.077  -0.219  -4.940
  106    HA   LYS  16           HA       LYS  16  -5.253  -2.218  -5.518
  107   1HB   LYS  16          2HB       LYS  16  -7.082  -0.434  -7.020
  108   2HB   LYS  16          1HB       LYS  16  -5.725  -0.938  -7.996
  109   1HG   LYS  16          2HG       LYS  16  -7.436  -2.888  -6.400
  110   2HG   LYS  16          1HG       LYS  16  -7.758  -2.467  -8.073
  111   1HD   LYS  16          2HD       LYS  16  -5.306  -3.115  -8.549
  112   2HD   LYS  16          1HD       LYS  16  -5.281  -3.809  -6.941
  113   1HE   LYS  16          2HE       LYS  16  -7.041  -5.400  -7.494
  114   2HE   LYS  16          1HE       LYS  16  -7.400  -4.571  -9.003
  115   1HZ   LYS  16          3HZ       LYS  16  -4.698  -5.264  -9.014
  116   2HZ   LYS  16          2HZ       LYS  16  -5.595  -6.634  -8.559
  117   3HZ   LYS  16          1HZ       LYS  16  -5.950  -5.834 -10.013
  118    H    LEU  17           H        LEU  17  -4.963   1.169  -6.510
  119    HA   LEU  17           HA       LEU  17  -2.314   0.869  -7.532
  120   1HB   LEU  17          2HB       LEU  17  -2.553   3.085  -8.134
  121   2HB   LEU  17          1HB       LEU  17  -4.222   2.773  -7.746
  122    HG   LEU  17           HG       LEU  17  -3.682   3.610  -5.382
  123   1HD1  LEU  17          1HD1      LEU  17  -1.036   3.905  -6.641
  124   2HD1  LEU  17          3HD1      LEU  17  -1.610   5.473  -6.118
  125   3HD1  LEU  17          2HD1      LEU  17  -1.474   4.162  -4.966
  126   1HD2  LEU  17          1HD2      LEU  17  -4.995   4.860  -7.089
  127   2HD2  LEU  17          3HD2      LEU  17  -4.041   5.952  -6.097
  128   3HD2  LEU  17          2HD2      LEU  17  -3.509   5.547  -7.724
  129    H    VAL  18           H        VAL  18  -3.503   1.794  -4.304
  130    HA   VAL  18           HA       VAL  18  -1.110   2.647  -3.134
  131    HB   VAL  18           HB       VAL  18  -3.578   1.199  -2.084
  132   1HG1  VAL  18          1HG1      VAL  18  -1.171   2.054  -0.470
  133   2HG1  VAL  18          3HG1      VAL  18  -2.767   1.792   0.230
  134   3HG1  VAL  18          2HG1      VAL  18  -1.919   0.460  -0.537
  135   1HG2  VAL  18          3HG2      VAL  18  -3.581   3.660  -2.845
  136   2HG2  VAL  18          2HG2      VAL  18  -4.191   3.341  -1.233
  137   3HG2  VAL  18          1HG2      VAL  18  -2.572   3.986  -1.447
  138    H    PHE  19           H        PHE  19  -2.404  -0.639  -3.269
  139    HA   PHE  19           HA       PHE  19  -0.254  -2.014  -2.046
  140   1HB   PHE  19          2HB       PHE  19  -1.833  -3.158  -4.392
  141   2HB   PHE  19          1HB       PHE  19  -1.125  -4.039  -3.053
  142    HD1  PHE  19           HD1      PHE  19  -2.156  -2.110  -0.808
  143    HD2  PHE  19           HD2      PHE  19  -4.062  -3.951  -4.154
  144    HE1  PHE  19           HE1      PHE  19  -4.304  -2.016   0.358
  145    HE2  PHE  19           HE2      PHE  19  -6.207  -3.853  -2.977
  146    HZ   PHE  19           HZ       PHE  19  -6.334  -2.889  -0.719
  147    H    PHE  20           H        PHE  20  -0.867  -1.393  -5.433
  148    HA   PHE  20           HA       PHE  20   1.428  -2.530  -6.576
  149   1HB   PHE  20          2HB       PHE  20   0.019  -1.888  -8.271
  150   2HB   PHE  20          1HB       PHE  20  -0.713  -0.626  -7.318
  151    HD1  PHE  20           HD2      PHE  20   2.356  -1.394  -9.261
  152    HD2  PHE  20           HD1      PHE  20  -0.271   1.651  -7.867
  153    HE1  PHE  20           HE2      PHE  20   3.554   0.266 -10.614
  154    HE2  PHE  20           HE1      PHE  20   0.916   3.302  -9.203
  155    HZ   PHE  20           HZ       PHE  20   2.839   2.625 -10.591
  156    H    ALA  21           H        ALA  21   0.970   0.838  -5.621
  157    HA   ALA  21           HA       ALA  21   3.518   1.870  -6.121
  158   1HB   ALA  21          2HB       ALA  21   1.474   3.198  -5.439
  159   2HB   ALA  21          1HB       ALA  21   1.682   2.620  -3.795
  160   3HB   ALA  21          3HB       ALA  21   2.903   3.651  -4.523
  161    H    GLU  22           H        GLU  22   2.371   0.346  -3.141
  162    HA   GLU  22           HA       GLU  22   4.756   0.658  -1.646
  163   1HB   GLU  22          2HB       GLU  22   2.746  -0.076  -0.523
  164   2HB   GLU  22          1HB       GLU  22   2.516  -1.422  -1.609
  165   1HG   GLU  22          2HG       GLU  22   4.943  -1.236   0.217
  166   2HG   GLU  22          1HG       GLU  22   3.427  -1.923   0.771
  167    H    ASP  23           H        ASP  23   3.702  -2.082  -3.607
  168    HA   ASP  23           HA       ASP  23   5.892  -3.785  -3.420
  169   1HB   ASP  23          2HB       ASP  23   3.704  -4.100  -4.824
  170   2HB   ASP  23          1HB       ASP  23   4.522  -3.213  -6.078
  171    H    VAL  24           H        VAL  24   5.360  -1.283  -5.730
  172    HA   VAL  24           HA       VAL  24   7.754  -1.266  -7.174
  173    HB   VAL  24           HB       VAL  24   5.797   0.965  -6.463
  174   1HG1  VAL  24          2HG1      VAL  24   7.883   1.872  -7.452
  175   2HG1  VAL  24          1HG1      VAL  24   7.583   0.870  -8.876
  176   3HG1  VAL  24          3HG1      VAL  24   6.442   2.131  -8.424
  177   1HG2  VAL  24          1HG2      VAL  24   5.195  -1.376  -7.734
  178   2HG2  VAL  24          3HG2      VAL  24   4.380   0.147  -8.004
  179   3HG2  VAL  24          2HG2      VAL  24   5.648  -0.383  -9.102
  180    H    GLY  25           H        GLY  25   6.846   0.733  -4.462
  181   1HA   GLY  25          2HA       GLY  25   9.071   2.327  -4.031
  182   2HA   GLY  25          1HA       GLY  25   8.107   1.673  -2.703
  183    H    SER  26           H        SER  26   8.546  -0.909  -2.827
  184    HA   SER  26           HA       SER  26  11.155  -1.237  -1.660
  185   1HB   SER  26          2HB       SER  26   9.131  -2.560  -0.949
  186   2HB   SER  26          1HB       SER  26   9.173  -3.424  -2.493
  187    HG   SER  26           HG       SER  26  10.660  -3.818  -0.320
  188    H    ASN  27           H        ASN  27   9.748  -2.932  -4.404
  189    HA   ASN  27           HA       ASN  27  12.166  -3.954  -5.436
  190   1HB   ASN  27          2HB       ASN  27   9.388  -3.509  -6.641
  191   2HB   ASN  27          1HB       ASN  27  10.638  -4.391  -7.493
  192   1HD2  ASN  27          2HD2      ASN  27   8.463  -6.287  -4.716
  193   2HD2  ASN  27          1HD2      ASN  27   8.061  -4.759  -5.335
  194    H    LYS  28           H        LYS  28  10.172  -1.663  -7.230
  195    HA   LYS  28           HA       LYS  28  12.132  -0.846  -9.049
  196   1HB   LYS  28          2HB       LYS  28   9.517  -0.027  -8.395
  197   2HB   LYS  28          1HB       LYS  28  10.458   1.427  -8.131
  198   1HG   LYS  28          2HG       LYS  28  11.535   0.719 -10.490
  199   2HG   LYS  28          1HG       LYS  28  10.039  -0.180 -10.640
  200   1HD   LYS  28          2HD       LYS  28   9.090   2.296  -9.806
  201   2HD   LYS  28          1HD       LYS  28  10.523   2.773 -10.692
  202   1HE   LYS  28          2HE       LYS  28   8.623   2.736 -12.230
  203   2HE   LYS  28          1HE       LYS  28   9.702   1.419 -12.663
  204   1HZ   LYS  28          1HZ       LYS  28   7.893   0.491 -10.739
  205   2HZ   LYS  28          3HZ       LYS  28   7.013   1.290 -11.949
  206   3HZ   LYS  28          2HZ       LYS  28   8.054   0.014 -12.359
  207    H    GLY  29           H        GLY  29  11.612   0.231  -5.763
  208   1HA   GLY  29          2HA       GLY  29  13.371   2.452  -5.673
  209   2HA   GLY  29          1HA       GLY  29  13.033   1.412  -4.289
  210    H    ALA  30           H        ALA  30  14.095  -0.912  -4.688
  211    HA   ALA  30           HA       ALA  30  16.908  -0.527  -4.439
  212   1HB   ALA  30          2HB       ALA  30  15.704  -2.522  -3.543
  213   2HB   ALA  30          1HB       ALA  30  15.380  -3.073  -5.180
  214   3HB   ALA  30          3HB       ALA  30  17.031  -3.029  -4.575
  215    H    ILE  31           H        ILE  31  14.999  -1.567  -7.168
  216    HA   ILE  31           HA       ILE  31  17.023  -2.198  -8.993
  217    HB   ILE  31           HB       ILE  31  14.176  -1.132  -9.167
  218   1HG1  ILE  31          2HG1      ILE  31  15.386  -3.842  -9.825
  219   2HG1  ILE  31          1HG1      ILE  31  14.621  -3.438  -8.312
  220   1HG2  ILE  31          1HG2      ILE  31  15.821  -1.949 -11.581
  221   2HG2  ILE  31          3HG2      ILE  31  14.086  -1.654 -11.576
  222   3HG2  ILE  31          2HG2      ILE  31  15.185  -0.339 -11.240
  223   1HD1  ILE  31          3HD1      ILE  31  12.509  -2.841  -9.708
  224   2HD1  ILE  31          2HD1      ILE  31  13.293  -3.719 -11.013
  225   3HD1  ILE  31          1HD1      ILE  31  12.908  -4.536  -9.509
  226    H    ILE  32           H        ILE  32  15.361   0.929  -8.657
  227    HA   ILE  32           HA       ILE  32  16.961   2.351 -10.480
  228    HB   ILE  32           HB       ILE  32  15.627   3.314  -7.894
  229   1HG1  ILE  32          2HG1      ILE  32  14.543   3.658 -10.709
  230   2HG1  ILE  32          1HG1      ILE  32  14.262   2.166  -9.864
  231   1HG2  ILE  32          3HG2      ILE  32  16.661   4.899 -10.293
  232   2HG2  ILE  32          2HG2      ILE  32  15.618   5.580  -9.056
  233   3HG2  ILE  32          1HG2      ILE  32  17.223   5.020  -8.633
  234   1HD1  ILE  32          3HD1      ILE  32  13.314   3.563  -7.918
  235   2HD1  ILE  32          2HD1      ILE  32  13.364   4.938  -9.011
  236   3HD1  ILE  32          1HD1      ILE  32  12.356   3.552  -9.389
  237    H    GLY  33           H        GLY  33  17.415   1.818  -7.027
  238   1HA   GLY  33          2HA       GLY  33  19.733   3.355  -6.628
  239   2HA   GLY  33          1HA       GLY  33  19.367   1.884  -5.727
  240    H    LEU  34           H        LEU  34  19.601  -0.104  -7.568
  241    HA   LEU  34           HA       LEU  34  22.449  -0.295  -7.839
  242   1HB   LEU  34          2HB       LEU  34  22.068  -2.505  -8.493
  243   2HB   LEU  34          1HB       LEU  34  20.589  -2.152  -7.648
  244    HG   LEU  34           HG       LEU  34  19.755  -1.469 -10.119
  245   1HD1  LEU  34          3HD1      LEU  34  22.035  -3.443 -10.565
  246   2HD1  LEU  34          2HD1      LEU  34  20.735  -3.228 -11.722
  247   3HD1  LEU  34          1HD1      LEU  34  21.809  -1.894 -11.357
  248   1HD2  LEU  34          1HD2      LEU  34  18.866  -3.274  -8.539
  249   2HD2  LEU  34          3HD2      LEU  34  18.689  -3.620 -10.250
  250   3HD2  LEU  34          2HD2      LEU  34  19.969  -4.390  -9.325
  251    H    MET  35           H        MET  35  19.923   0.494 -10.188
  252    HA   MET  35           HA       MET  35  21.504   0.504 -12.525
  253   1HB   MET  35          2HB       MET  35  18.840   1.192 -11.831
  254   2HB   MET  35          1HB       MET  35  19.495   2.690 -12.441
  255   1HG   MET  35          2HG       MET  35  19.160   1.952 -14.512
  256   2HG   MET  35          1HG       MET  35  20.359   0.717 -14.285
  257   1HE   MET  35          3HE       MET  35  19.877  -1.387 -13.033
  258   2HE   MET  35          2HE       MET  35  18.398  -1.284 -12.076
  259   3HE   MET  35          1HE       MET  35  18.496  -2.410 -13.428
  260    H    VAL  36           H        VAL  36  20.787   3.049 -10.267
  261    HA   VAL  36           HA       VAL  36  22.256   5.178 -11.387
  262    HB   VAL  36           HB       VAL  36  21.371   4.509  -8.528
  263   1HG1  VAL  36          3HG1      VAL  36  22.747   7.042  -9.546
  264   2HG1  VAL  36          2HG1      VAL  36  21.821   6.981  -8.055
  265   3HG1  VAL  36          1HG1      VAL  36  23.271   6.012  -8.223
  266   1HG2  VAL  36          2HG2      VAL  36  19.719   5.089 -10.463
  267   2HG2  VAL  36          1HG2      VAL  36  19.562   5.992  -8.970
  268   3HG2  VAL  36          3HG2      VAL  36  20.361   6.716 -10.355
  269    H    GLY  37           H        GLY  37  23.201   2.966  -8.747
  270   1HA   GLY  37          2HA       GLY  37  25.767   2.354  -9.598
  271   2HA   GLY  37          1HA       GLY  37  25.953   3.894  -8.762
  272    H    GLY  38           H        GLY  38  23.975   1.027  -8.105
  273   1HA   GLY  38          2HA       GLY  38  24.248   1.100  -5.274
  274   2HA   GLY  38          1HA       GLY  38  23.805  -0.339  -6.194
  275    H    VAL  39           H        VAL  39  26.117  -0.393  -7.778
  276    HA   VAL  39           HA       VAL  39  28.297  -1.073  -5.877
  277    HB   VAL  39           HB       VAL  39  27.691  -2.607  -8.467
  278   1HG1  VAL  39          2HG1      VAL  39  29.982  -2.870  -7.469
  279   2HG1  VAL  39          1HG1      VAL  39  29.256  -3.384  -5.958
  280   3HG1  VAL  39          3HG1      VAL  39  29.078  -4.369  -7.402
  281   1HG2  VAL  39          2HG2      VAL  39  26.648  -3.186  -5.662
  282   2HG2  VAL  39          1HG2      VAL  39  25.697  -2.942  -7.119
  283   3HG2  VAL  39          3HG2      VAL  39  26.674  -4.389  -6.941
  284    H    VAL  40           H        VAL  40  28.028   1.311  -6.852
  285    HA   VAL  40           HA       VAL  40  29.118   3.062  -7.830
  286    HB   VAL  40           HB       VAL  40  31.126   0.892  -8.597
  287   1HG1  VAL  40          3HG1      VAL  40  31.362   3.935  -8.683
  288   2HG1  VAL  40          2HG1      VAL  40  32.733   2.846  -8.825
  289   3HG1  VAL  40          1HG1      VAL  40  31.484   2.845 -10.055
  290   1HG2  VAL  40          2HG2      VAL  40  31.085   2.887  -6.296
  291   2HG2  VAL  40          1HG2      VAL  40  30.838   1.153  -6.157
  292   3HG2  VAL  40          3HG2      VAL  40  32.400   1.777  -6.648
   
  No H/Q in entry =         292
  Start of MODEL    9
    1   1H    ASP   1          2H        ASP   1  -2.160  23.165  -8.690
    2   2H    ASP   1          1H        ASP   1  -2.055  22.852  -7.025
    3   3H    ASP   1          3H        ASP   1  -0.655  23.229  -7.908
    4    HA   ASP   1           HA       ASP   1  -0.298  21.120  -8.345
    5   1HB   ASP   1          2HB       ASP   1  -2.960  20.666  -6.898
    6   2HB   ASP   1          1HB       ASP   1  -1.824  19.387  -7.299
    7    H    ALA   2           H        ALA   2  -0.344  20.982 -10.498
    8    HA   ALA   2           HA       ALA   2  -2.656  19.743 -11.799
    9   1HB   ALA   2          1HB       ALA   2  -3.145  22.222 -11.876
   10   2HB   ALA   2          3HB       ALA   2  -1.656  22.454 -12.777
   11   3HB   ALA   2          2HB       ALA   2  -2.968  21.509 -13.467
   12    H    GLU   3           H        GLU   3  -0.912  18.205 -11.777
   13    HA   GLU   3           HA       GLU   3   1.415  18.604 -13.491
   14   1HB   GLU   3          2HB       GLU   3   1.005  16.935 -11.410
   15   2HB   GLU   3          1HB       GLU   3   0.500  15.852 -12.690
   16   1HG   GLU   3          2HG       GLU   3   2.839  16.797 -13.789
   17   2HG   GLU   3          1HG       GLU   3   3.222  17.014 -12.097
   18    H    PHE   4           H        PHE   4  -1.787  17.626 -13.926
   19    HA   PHE   4           HA       PHE   4  -3.046  17.069 -15.772
   20   1HB   PHE   4          2HB       PHE   4  -0.525  17.430 -17.482
   21   2HB   PHE   4          1HB       PHE   4  -2.194  17.563 -17.998
   22    HD1  PHE   4           HD2      PHE   4  -3.611  19.275 -16.363
   23    HD2  PHE   4           HD1      PHE   4   0.561  19.508 -17.213
   24    HE1  PHE   4           HE2      PHE   4  -3.630  21.659 -15.808
   25    HE2  PHE   4           HE1      PHE   4   0.533  21.893 -16.657
   26    HZ   PHE   4           HZ       PHE   4  -1.557  22.976 -15.952
   27    H    ARG   5           H        ARG   5  -1.632  15.097 -14.258
   28    HA   ARG   5           HA       ARG   5  -1.148  12.905 -16.228
   29   1HB   ARG   5          2HB       ARG   5  -0.259  13.512 -13.419
   30   2HB   ARG   5          1HB       ARG   5  -0.632  11.826 -13.702
   31   1HG   ARG   5          2HG       ARG   5   1.738  12.239 -14.165
   32   2HG   ARG   5          1HG       ARG   5   0.909  11.761 -15.631
   33   1HD   ARG   5          2HD       ARG   5   1.120  13.867 -16.608
   34   2HD   ARG   5          1HD       ARG   5   1.059  14.710 -15.062
   35    HE   ARG   5           HE       ARG   5   3.444  13.201 -15.090
   36   1HH1  ARG   5          2HH1      ARG   5   1.963  15.845 -16.763
   37   2HH1  ARG   5          1HH1      ARG   5   3.470  16.614 -17.130
   38   1HH2  ARG   5          1HH2      ARG   5   5.371  14.150 -15.544
   39   2HH2  ARG   5          2HH2      ARG   5   5.432  15.635 -16.432
   40    H    HIS   6           H        HIS   6  -3.515  13.417 -16.564
   41    HA   HIS   6           HA       HIS   6  -5.416  12.326 -14.672
   42   1HB   HIS   6          2HB       HIS   6  -5.809  13.224 -17.563
   43   2HB   HIS   6          1HB       HIS   6  -7.055  13.044 -16.341
   44    HD1  HIS   6           HD1      HIS   6  -5.128  14.464 -14.151
   45    HD2  HIS   6           HD2      HIS   6  -6.314  16.036 -17.723
   46    HE1  HIS   6           HE1      HIS   6  -4.927  16.916 -13.933
   47    H    ASP   7           H        ASP   7  -3.403  10.536 -15.582
   48    HA   ASP   7           HA       ASP   7  -4.472   8.652 -17.481
   49   1HB   ASP   7          2HB       ASP   7  -2.522   7.229 -16.279
   50   2HB   ASP   7          1HB       ASP   7  -2.134   8.507 -17.410
   51    H    SER   8           H        SER   8  -5.696   6.892 -17.083
   52    HA   SER   8           HA       SER   8  -7.126   6.649 -14.612
   53   1HB   SER   8          2HB       SER   8  -6.911   4.715 -16.974
   54   2HB   SER   8          1HB       SER   8  -8.125   4.608 -15.684
   55    HG   SER   8           HG       SER   8  -8.087   6.213 -17.815
   56    H    GLY   9           H        GLY   9  -6.979   5.173 -12.977
   57   1HA   GLY   9          2HA       GLY   9  -4.348   4.037 -12.430
   58   2HA   GLY   9          1HA       GLY   9  -5.761   3.958 -11.377
   59    H    TYR  10           H        TYR  10  -7.518   2.514 -12.124
   60    HA   TYR  10           HA       TYR  10  -6.846   0.314 -13.929
   61   1HB   TYR  10          2HB       TYR  10  -5.847  -0.982 -12.321
   62   2HB   TYR  10          1HB       TYR  10  -6.260   0.144 -11.054
   63    HD1  TYR  10           HD2      TYR  10  -7.978  -2.486 -13.154
   64    HD2  TYR  10           HD1      TYR  10  -7.585  -0.639  -9.343
   65    HE1  TYR  10           HE2      TYR  10  -9.577  -4.085 -12.202
   66    HE2  TYR  10           HE1      TYR  10  -9.167  -2.244  -8.402
   67    HH   TYR  10           HH       TYR  10 -11.199  -3.711  -9.551
   68    H    GLU  11           H        GLU  11  -9.013   0.731 -11.101
   69    HA   GLU  11           HA       GLU  11 -11.339   1.196 -12.722
   70   1HB   GLU  11          2HB       GLU  11 -10.623  -1.494 -12.702
   71   2HB   GLU  11          1HB       GLU  11 -11.728  -1.442 -11.351
   72   1HG   GLU  11          2HG       GLU  11 -13.087  -1.907 -13.263
   73   2HG   GLU  11          1HG       GLU  11 -13.364  -0.206 -12.940
   74    H    VAL  12           H        VAL  12 -10.336  -0.210  -9.595
   75    HA   VAL  12           HA       VAL  12 -12.666   0.809  -8.212
   76    HB   VAL  12           HB       VAL  12 -11.591  -0.020  -6.185
   77   1HG1  VAL  12          3HG1      VAL  12 -11.370  -1.825  -8.603
   78   2HG1  VAL  12          2HG1      VAL  12 -11.017  -2.405  -6.982
   79   3HG1  VAL  12          1HG1      VAL  12 -12.607  -1.776  -7.366
   80   1HG2  VAL  12          3HG2      VAL  12  -9.069  -0.009  -7.857
   81   2HG2  VAL  12          2HG2      VAL  12  -9.336   0.678  -6.270
   82   3HG2  VAL  12          1HG2      VAL  12  -9.208  -1.058  -6.455
   83    H    HIS  13           H        HIS  13 -11.704   1.831  -5.975
   84    HA   HIS  13           HA       HIS  13 -11.388   4.614  -6.515
   85   1HB   HIS  13          2HB       HIS  13 -11.174   2.844  -4.076
   86   2HB   HIS  13          1HB       HIS  13 -10.751   4.550  -3.939
   87    HD1  HIS  13           HD1      HIS  13 -13.668   2.388  -4.763
   88    HD2  HIS  13           HD2      HIS  13 -12.917   6.323  -3.983
   89    HE1  HIS  13           HE1      HIS  13 -15.870   3.479  -4.521
   90    H    HIS  14           H        HIS  14  -9.048   3.151  -4.368
   91    HA   HIS  14           HA       HIS  14  -6.841   3.492  -6.220
   92   1HB   HIS  14          2HB       HIS  14  -5.981   4.972  -3.918
   93   2HB   HIS  14          1HB       HIS  14  -6.256   5.637  -5.514
   94    HD1  HIS  14           HD1      HIS  14  -7.935   5.303  -2.227
   95    HD2  HIS  14           HD2      HIS  14  -8.653   7.102  -5.818
   96    HE1  HIS  14           HE1      HIS  14  -9.856   6.812  -1.875
   97    H    GLN  15           H        GLN  15  -8.222   1.826  -3.931
   98    HA   GLN  15           HA       GLN  15  -6.151   1.099  -2.104
   99   1HB   GLN  15          2HB       GLN  15  -8.581   0.412  -1.920
  100   2HB   GLN  15          1HB       GLN  15  -8.353  -0.699  -3.255
  101   1HG   GLN  15          2HG       GLN  15  -7.010  -2.156  -2.005
  102   2HG   GLN  15          1HG       GLN  15  -6.510  -0.910  -0.865
  103   1HE2  GLN  15          2HE2      GLN  15  -9.261  -1.399   1.297
  104   2HE2  GLN  15          1HE2      GLN  15  -7.905  -0.445   0.930
  105    H    LYS  16           H        LYS  16  -7.001  -0.160  -5.251
  106    HA   LYS  16           HA       LYS  16  -5.116  -2.231  -5.468
  107   1HB   LYS  16          2HB       LYS  16  -7.010  -1.804  -7.077
  108   2HB   LYS  16          1HB       LYS  16  -6.152  -0.395  -7.670
  109   1HG   LYS  16          2HG       LYS  16  -5.703  -2.237  -9.202
  110   2HG   LYS  16          1HG       LYS  16  -4.226  -1.894  -8.341
  111   1HD   LYS  16          2HD       LYS  16  -4.208  -3.892  -7.271
  112   2HD   LYS  16          1HD       LYS  16  -5.920  -3.846  -6.910
  113   1HE   LYS  16          2HE       LYS  16  -4.767  -4.579  -9.646
  114   2HE   LYS  16          1HE       LYS  16  -5.374  -5.731  -8.464
  115   1HZ   LYS  16          3HZ       LYS  16  -7.313  -3.767  -8.828
  116   2HZ   LYS  16          2HZ       LYS  16  -6.812  -4.283 -10.365
  117   3HZ   LYS  16          1HZ       LYS  16  -7.392  -5.412  -9.237
  118    H    LEU  17           H        LEU  17  -4.850   1.123  -6.588
  119    HA   LEU  17           HA       LEU  17  -2.160   0.888  -7.463
  120   1HB   LEU  17          2HB       LEU  17  -2.474   3.064  -8.129
  121   2HB   LEU  17          1HB       LEU  17  -4.137   2.747  -7.713
  122    HG   LEU  17           HG       LEU  17  -3.618   3.638  -5.399
  123   1HD1  LEU  17          1HD1      LEU  17  -0.947   3.913  -6.639
  124   2HD1  LEU  17          3HD1      LEU  17  -1.518   5.478  -6.104
  125   3HD1  LEU  17          2HD1      LEU  17  -1.391   4.158  -4.962
  126   1HD2  LEU  17          3HD2      LEU  17  -4.884   4.870  -7.145
  127   2HD2  LEU  17          2HD2      LEU  17  -3.931   5.977  -6.168
  128   3HD2  LEU  17          1HD2      LEU  17  -3.382   5.525  -7.776
  129    H    VAL  18           H        VAL  18  -3.508   1.826  -4.306
  130    HA   VAL  18           HA       VAL  18  -1.211   2.722  -3.011
  131    HB   VAL  18           HB       VAL  18  -3.750   1.280  -2.186
  132   1HG1  VAL  18          2HG1      VAL  18  -1.463   1.863  -0.303
  133   2HG1  VAL  18          1HG1      VAL  18  -3.134   1.688   0.229
  134   3HG1  VAL  18          3HG1      VAL  18  -2.321   0.342  -0.546
  135   1HG2  VAL  18          1HG2      VAL  18  -3.601   3.772  -2.760
  136   2HG2  VAL  18          3HG2      VAL  18  -4.375   3.352  -1.244
  137   3HG2  VAL  18          2HG2      VAL  18  -2.727   3.963  -1.248
  138    H    PHE  19           H        PHE  19  -2.410  -0.612  -3.104
  139    HA   PHE  19           HA       PHE  19  -0.145  -1.803  -1.843
  140   1HB   PHE  19          2HB       PHE  19  -2.235  -2.925  -3.763
  141   2HB   PHE  19          1HB       PHE  19  -1.013  -3.946  -3.025
  142    HD1  PHE  19           HD1      PHE  19  -0.762  -3.299  -0.309
  143    HD2  PHE  19           HD2      PHE  19  -4.309  -3.043  -2.663
  144    HE1  PHE  19           HE1      PHE  19  -2.123  -3.487   1.718
  145    HE2  PHE  19           HE2      PHE  19  -5.661  -3.237  -0.625
  146    HZ   PHE  19           HZ       PHE  19  -4.578  -3.456   1.564
  147    H    PHE  20           H        PHE  20  -0.912  -1.403  -5.257
  148    HA   PHE  20           HA       PHE  20   1.306  -2.661  -6.413
  149   1HB   PHE  20          2HB       PHE  20  -0.125  -2.011  -8.106
  150   2HB   PHE  20          1HB       PHE  20  -0.768  -0.686  -7.170
  151    HD1  PHE  20           HD1      PHE  20   2.145  -1.675  -9.233
  152    HD2  PHE  20           HD2      PHE  20  -0.162   1.573  -7.731
  153    HE1  PHE  20           HE1      PHE  20   3.399  -0.119 -10.656
  154    HE2  PHE  20           HE2      PHE  20   1.077   3.119  -9.137
  155    HZ   PHE  20           HZ       PHE  20   2.870   2.288 -10.616
  156    H    ALA  21           H        ALA  21   0.963   0.733  -5.543
  157    HA   ALA  21           HA       ALA  21   3.512   1.715  -6.131
  158   1HB   ALA  21          3HB       ALA  21   1.542   3.124  -5.469
  159   2HB   ALA  21          2HB       ALA  21   1.671   2.522  -3.826
  160   3HB   ALA  21          1HB       ALA  21   2.952   3.518  -4.498
  161    H    GLU  22           H        GLU  22   2.367   0.229  -3.153
  162    HA   GLU  22           HA       GLU  22   4.713   0.525  -1.607
  163   1HB   GLU  22          2HB       GLU  22   2.349  -0.500  -0.997
  164   2HB   GLU  22          1HB       GLU  22   3.021  -2.021  -1.552
  165   1HG   GLU  22          2HG       GLU  22   4.922  -1.697   0.105
  166   2HG   GLU  22          1HG       GLU  22   4.073  -0.285   0.720
  167    H    ASP  23           H        ASP  23   3.781  -2.161  -3.675
  168    HA   ASP  23           HA       ASP  23   6.087  -3.756  -3.500
  169   1HB   ASP  23          2HB       ASP  23   3.867  -4.184  -4.844
  170   2HB   ASP  23          1HB       ASP  23   4.640  -3.317  -6.138
  171    H    VAL  24           H        VAL  24   5.334  -1.282  -5.799
  172    HA   VAL  24           HA       VAL  24   7.666  -1.141  -7.326
  173    HB   VAL  24           HB       VAL  24   5.803   1.135  -6.514
  174   1HG1  VAL  24          3HG1      VAL  24   7.862   1.801  -7.737
  175   2HG1  VAL  24          2HG1      VAL  24   7.350   0.784  -9.079
  176   3HG1  VAL  24          1HG1      VAL  24   6.365   2.161  -8.586
  177   1HG2  VAL  24          2HG2      VAL  24   5.081  -1.288  -7.755
  178   2HG2  VAL  24          1HG2      VAL  24   4.182   0.217  -7.774
  179   3HG2  VAL  24          3HG2      VAL  24   5.273  -0.180  -9.090
  180    H    GLY  25           H        GLY  25   6.858   0.663  -4.445
  181   1HA   GLY  25          2HA       GLY  25   9.022   2.361  -4.071
  182   2HA   GLY  25          1HA       GLY  25   8.223   1.544  -2.725
  183    H    SER  26           H        SER  26   8.780  -0.959  -3.035
  184    HA   SER  26           HA       SER  26  11.491  -1.238  -2.141
  185   1HB   SER  26          2HB       SER  26   9.605  -2.753  -1.410
  186   2HB   SER  26          1HB       SER  26   9.583  -3.466  -3.028
  187    HG   SER  26           HG       SER  26  12.110  -3.326  -2.151
  188    H    ASN  27           H        ASN  27   9.917  -2.577  -4.998
  189    HA   ASN  27           HA       ASN  27  12.226  -3.534  -6.289
  190   1HB   ASN  27          2HB       ASN  27   9.530  -2.592  -7.405
  191   2HB   ASN  27          1HB       ASN  27  10.703  -3.486  -8.350
  192   1HD2  ASN  27          2HD2      ASN  27   9.272  -6.501  -7.276
  193   2HD2  ASN  27          1HD2      ASN  27   9.906  -5.573  -8.548
  194    H    LYS  28           H        LYS  28  10.436  -0.747  -7.493
  195    HA   LYS  28           HA       LYS  28  12.443   0.284  -9.174
  196   1HB   LYS  28          2HB       LYS  28  11.019   2.087  -9.442
  197   2HB   LYS  28          1HB       LYS  28   9.895   1.095  -8.546
  198   1HG   LYS  28          2HG       LYS  28  10.535   2.276  -6.432
  199   2HG   LYS  28          1HG       LYS  28  11.694   3.239  -7.317
  200   1HD   LYS  28          2HD       LYS  28  10.150   4.696  -8.045
  201   2HD   LYS  28          1HD       LYS  28   9.094   3.430  -8.629
  202   1HE   LYS  28          2HE       LYS  28   8.548   3.112  -6.032
  203   2HE   LYS  28          1HE       LYS  28   9.156   4.756  -5.916
  204   1HZ   LYS  28          2HZ       LYS  28   7.420   4.602  -8.103
  205   2HZ   LYS  28          1HZ       LYS  28   6.658   3.874  -6.772
  206   3HZ   LYS  28          3HZ       LYS  28   7.228   5.470  -6.656
  207    H    GLY  29           H        GLY  29  12.024   0.605  -5.716
  208   1HA   GLY  29          2HA       GLY  29  13.922   2.628  -5.135
  209   2HA   GLY  29          1HA       GLY  29  13.521   1.305  -4.035
  210    H    ALA  30           H        ALA  30  14.417  -0.892  -4.979
  211    HA   ALA  30           HA       ALA  30  17.247  -0.791  -4.723
  212   1HB   ALA  30          3HB       ALA  30  15.496  -2.963  -5.977
  213   2HB   ALA  30          2HB       ALA  30  17.159  -3.201  -5.456
  214   3HB   ALA  30          1HB       ALA  30  15.911  -2.843  -4.274
  215    H    ILE  31           H        ILE  31  15.254  -1.071  -7.590
  216    HA   ILE  31           HA       ILE  31  17.222  -1.391  -9.543
  217    HB   ILE  31           HB       ILE  31  14.454  -0.141  -9.394
  218   1HG1  ILE  31          2HG1      ILE  31  15.490  -2.665 -10.731
  219   2HG1  ILE  31          1HG1      ILE  31  14.762  -2.604  -9.148
  220   1HG2  ILE  31          1HG2      ILE  31  15.536   1.076 -11.242
  221   2HG2  ILE  31          3HG2      ILE  31  15.973  -0.452 -12.004
  222   3HG2  ILE  31          2HG2      ILE  31  14.284   0.012 -11.829
  223   1HD1  ILE  31          2HD1      ILE  31  12.665  -1.617 -10.240
  224   2HD1  ILE  31          1HD1      ILE  31  13.382  -2.043 -11.789
  225   3HD1  ILE  31          3HD1      ILE  31  13.010  -3.294 -10.620
  226    H    ILE  32           H        ILE  32  15.797   1.678  -8.475
  227    HA   ILE  32           HA       ILE  32  17.485   3.374  -9.967
  228    HB   ILE  32           HB       ILE  32  16.175   3.832  -7.230
  229   1HG1  ILE  32          2HG1      ILE  32  15.168   4.806  -9.932
  230   2HG1  ILE  32          1HG1      ILE  32  14.747   3.217  -9.368
  231   1HG2  ILE  32          1HG2      ILE  32  17.361   5.811  -9.237
  232   2HG2  ILE  32          3HG2      ILE  32  16.321   6.295  -7.909
  233   3HG2  ILE  32          2HG2      ILE  32  17.877   5.560  -7.577
  234   1HD1  ILE  32          3HD1      ILE  32  13.862   4.292  -7.222
  235   2HD1  ILE  32          2HD1      ILE  32  14.088   5.851  -7.999
  236   3HD1  ILE  32          1HD1      ILE  32  12.962   4.689  -8.676
  237    H    GLY  33           H        GLY  33  17.852   2.093  -6.694
  238   1HA   GLY  33          2HA       GLY  33  20.267   3.339  -5.976
  239   2HA   GLY  33          1HA       GLY  33  19.797   1.728  -5.422
  240    H    LEU  34           H        LEU  34  19.839   0.243  -7.672
  241    HA   LEU  34           HA       LEU  34  22.595  -0.291  -8.086
  242   1HB   LEU  34          2HB       LEU  34  20.140  -1.074  -9.727
  243   2HB   LEU  34          1HB       LEU  34  21.727  -1.756 -10.013
  244    HG   LEU  34           HG       LEU  34  20.522  -1.870  -7.218
  245   1HD1  LEU  34          1HD1      LEU  34  18.819  -2.813  -8.792
  246   2HD1  LEU  34          3HD1      LEU  34  20.037  -3.898  -9.441
  247   3HD1  LEU  34          2HD1      LEU  34  19.520  -4.054  -7.770
  248   1HD2  LEU  34          2HD2      LEU  34  22.931  -2.490  -7.566
  249   2HD2  LEU  34          1HD2      LEU  34  21.974  -3.861  -7.040
  250   3HD2  LEU  34          3HD2      LEU  34  22.438  -3.711  -8.726
  251    H    MET  35           H        MET  35  20.276   1.319 -10.229
  252    HA   MET  35           HA       MET  35  21.946   1.853 -12.409
  253   1HB   MET  35          2HB       MET  35  19.444   2.279 -12.204
  254   2HB   MET  35          1HB       MET  35  19.809   3.724 -11.284
  255   1HG   MET  35          2HG       MET  35  19.416   4.247 -13.638
  256   2HG   MET  35          1HG       MET  35  21.040   4.663 -13.156
  257   1HE   MET  35          3HE       MET  35  21.517   5.161 -15.542
  258   2HE   MET  35          2HE       MET  35  21.544   4.001 -16.868
  259   3HE   MET  35          1HE       MET  35  20.003   4.563 -16.223
  260    H    VAL  36           H        VAL  36  21.378   3.812  -9.577
  261    HA   VAL  36           HA       VAL  36  23.135   5.964 -10.107
  262    HB   VAL  36           HB       VAL  36  22.046   4.755  -7.507
  263   1HG1  VAL  36          1HG1      VAL  36  23.798   7.225  -7.877
  264   2HG1  VAL  36          3HG1      VAL  36  22.766   7.004  -6.474
  265   3HG1  VAL  36          2HG1      VAL  36  24.070   5.876  -6.787
  266   1HG2  VAL  36          2HG2      VAL  36  20.465   5.900  -9.128
  267   2HG2  VAL  36          1HG2      VAL  36  20.545   6.674  -7.556
  268   3HG2  VAL  36          3HG2      VAL  36  21.392   7.375  -8.924
  269    H    GLY  37           H        GLY  37  23.660   3.068  -8.127
  270   1HA   GLY  37          2HA       GLY  37  25.893   1.909  -8.675
  271   2HA   GLY  37          1HA       GLY  37  26.611   3.466  -8.235
  272    H    GLY  38           H        GLY  38  27.156   3.693  -6.190
  273   1HA   GLY  38          2HA       GLY  38  26.920   3.647  -3.825
  274   2HA   GLY  38          1HA       GLY  38  25.594   2.498  -3.984
  275    H    VAL  39           H        VAL  39  27.163   0.839  -5.816
  276    HA   VAL  39           HA       VAL  39  29.065  -0.427  -3.911
  277    HB   VAL  39           HB       VAL  39  27.398  -1.907  -6.014
  278   1HG1  VAL  39          1HG1      VAL  39  28.974  -2.781  -3.550
  279   2HG1  VAL  39          3HG1      VAL  39  27.844  -3.839  -4.375
  280   3HG1  VAL  39          2HG1      VAL  39  29.260  -3.254  -5.216
  281   1HG2  VAL  39          2HG2      VAL  39  26.680  -1.261  -3.123
  282   2HG2  VAL  39          1HG2      VAL  39  25.725  -0.945  -4.563
  283   3HG2  VAL  39          3HG2      VAL  39  25.940  -2.590  -3.999
  284    H    VAL  40           H        VAL  40  29.673   1.581  -5.782
  285    HA   VAL  40           HA       VAL  40  30.833   0.418  -8.185
  286    HB   VAL  40           HB       VAL  40  31.497   3.139  -6.960
  287   1HG1  VAL  40          3HG1      VAL  40  31.514   2.083  -9.828
  288   2HG1  VAL  40          2HG1      VAL  40  31.870   3.739  -9.372
  289   3HG1  VAL  40          1HG1      VAL  40  32.934   2.445  -8.862
  290   1HG2  VAL  40          2HG2      VAL  40  29.118   2.319  -8.682
  291   2HG2  VAL  40          1HG2      VAL  40  29.073   3.076  -7.095
  292   3HG2  VAL  40          3HG2      VAL  40  29.633   3.989  -8.483
   
  No H/Q in entry =         292
  Start of MODEL   10
    1   1H    ASP   1          2H        ASP   1   3.263  22.254  -9.342
    2   2H    ASP   1          1H        ASP   1   3.008  23.725 -10.148
    3   3H    ASP   1          3H        ASP   1   4.376  23.522  -9.160
    4    HA   ASP   1           HA       ASP   1   3.288  24.273  -7.421
    5   1HB   ASP   1          2HB       ASP   1   1.144  25.380  -7.763
    6   2HB   ASP   1          1HB       ASP   1   2.006  25.530  -9.280
    7    H    ALA   2           H        ALA   2   0.651  23.893  -6.524
    8    HA   ALA   2           HA       ALA   2   0.301  20.957  -6.280
    9   1HB   ALA   2          2HB       ALA   2   0.563  22.936  -3.978
   10   2HB   ALA   2          1HB       ALA   2  -0.064  21.307  -3.783
   11   3HB   ALA   2          3HB       ALA   2   1.602  21.550  -4.292
   12    H    GLU   3           H        GLU   3  -1.755  20.383  -6.347
   13    HA   GLU   3           HA       GLU   3  -3.817  22.417  -6.729
   14   1HB   GLU   3          2HB       GLU   3  -3.539  20.241  -8.050
   15   2HB   GLU   3          1HB       GLU   3  -4.114  19.363  -6.652
   16   1HG   GLU   3          2HG       GLU   3  -6.223  20.796  -6.720
   17   2HG   GLU   3          1HG       GLU   3  -5.612  21.547  -8.186
   18    H    PHE   4           H        PHE   4  -4.921  19.607  -5.059
   19    HA   PHE   4           HA       PHE   4  -4.674  20.750  -2.375
   20   1HB   PHE   4          2HB       PHE   4  -7.305  20.787  -3.905
   21   2HB   PHE   4          1HB       PHE   4  -7.296  20.735  -2.151
   22    HD1  PHE   4           HD2      PHE   4  -5.776  22.529  -0.953
   23    HD2  PHE   4           HD1      PHE   4  -7.165  22.892  -4.968
   24    HE1  PHE   4           HE2      PHE   4  -5.413  24.951  -0.862
   25    HE2  PHE   4           HE1      PHE   4  -6.799  25.314  -4.871
   26    HZ   PHE   4           HZ       PHE   4  -5.922  26.348  -2.820
   27    H    ARG   5           H        ARG   5  -3.713  18.831  -1.922
   28    HA   ARG   5           HA       ARG   5  -3.486  16.622  -1.298
   29   1HB   ARG   5          2HB       ARG   5  -5.449  17.837   0.210
   30   2HB   ARG   5          1HB       ARG   5  -6.357  16.481  -0.407
   31   1HG   ARG   5          2HG       ARG   5  -5.410  15.673   1.617
   32   2HG   ARG   5          1HG       ARG   5  -4.367  14.997   0.380
   33   1HD   ARG   5          2HD       ARG   5  -2.666  16.688   0.775
   34   2HD   ARG   5          1HD       ARG   5  -3.751  17.631   1.798
   35    HE   ARG   5           HE       ARG   5  -3.587  15.094   2.980
   36   1HH1  ARG   5          2HH1      ARG   5  -1.470  17.703   2.140
   37   2HH1  ARG   5          1HH1      ARG   5  -0.368  17.384   3.436
   38   1HH2  ARG   5          1HH2      ARG   5  -2.207  14.667   4.635
   39   2HH2  ARG   5          2HH2      ARG   5  -0.792  15.637   4.873
   40    H    HIS   6           H        HIS   6  -4.526  17.083  -3.948
   41    HA   HIS   6           HA       HIS   6  -5.842  14.483  -4.574
   42   1HB   HIS   6          2HB       HIS   6  -7.166  16.555  -5.130
   43   2HB   HIS   6          1HB       HIS   6  -5.820  17.128  -6.094
   44    HD1  HIS   6           HD1      HIS   6  -8.115  16.845  -7.769
   45    HD2  HIS   6           HD2      HIS   6  -5.966  13.478  -6.941
   46    HE1  HIS   6           HE1      HIS   6  -8.678  15.208  -9.527
   47    H    ASP   7           H        ASP   7  -4.657  16.036  -7.157
   48    HA   ASP   7           HA       ASP   7  -2.474  14.185  -7.569
   49   1HB   ASP   7          2HB       ASP   7  -2.199  15.774  -9.664
   50   2HB   ASP   7          1HB       ASP   7  -3.605  14.733  -9.575
   51    H    SER   8           H        SER   8  -2.194  15.908  -5.326
   52    HA   SER   8           HA       SER   8   0.526  16.760  -5.627
   53   1HB   SER   8          2HB       SER   8   0.003  19.192  -4.934
   54   2HB   SER   8          1HB       SER   8  -0.642  18.793  -6.533
   55    HG   SER   8           HG       SER   8  -1.975  19.464  -4.330
   56    H    GLY   9           H        GLY   9  -1.178  15.001  -4.006
   57   1HA   GLY   9          2HA       GLY   9   0.157  15.291  -1.499
   58   2HA   GLY   9          1HA       GLY   9  -1.462  15.947  -1.334
   59    H    TYR  10           H        TYR  10  -2.307  13.818  -3.403
   60    HA   TYR  10           HA       TYR  10  -3.002  11.759  -1.449
   61   1HB   TYR  10          2HB       TYR  10  -4.454  12.890  -3.345
   62   2HB   TYR  10          1HB       TYR  10  -3.677  11.755  -4.420
   63    HD1  TYR  10           HD2      TYR  10  -3.764   9.561  -1.882
   64    HD2  TYR  10           HD1      TYR  10  -6.574  11.906  -4.079
   65    HE1  TYR  10           HE2      TYR  10  -5.504   7.941  -1.389
   66    HE2  TYR  10           HE1      TYR  10  -8.317  10.271  -3.573
   67    HH   TYR  10           HH       TYR  10  -8.731   8.534  -1.716
   68    H    GLU  11           H        GLU  11  -3.046   9.817  -3.790
   69    HA   GLU  11           HA       GLU  11  -0.355   9.224  -4.593
   70   1HB   GLU  11          2HB       GLU  11  -0.537   8.544  -2.015
   71   2HB   GLU  11          1HB       GLU  11  -1.512   7.219  -2.595
   72   1HG   GLU  11          2HG       GLU  11   1.137   7.665  -3.981
   73   2HG   GLU  11          1HG       GLU  11   1.192   7.065  -2.337
   74    H    VAL  12           H        VAL  12  -3.553   8.058  -3.798
   75    HA   VAL  12           HA       VAL  12  -3.854   6.891  -6.508
   76    HB   VAL  12           HB       VAL  12  -4.831   4.823  -5.615
   77   1HG1  VAL  12          2HG1      VAL  12  -2.358   4.879  -5.737
   78   2HG1  VAL  12          1HG1      VAL  12  -2.335   5.315  -4.021
   79   3HG1  VAL  12          3HG1      VAL  12  -3.026   3.793  -4.536
   80   1HG2  VAL  12          1HG2      VAL  12  -5.963   5.804  -3.593
   81   2HG2  VAL  12          3HG2      VAL  12  -5.042   4.373  -3.202
   82   3HG2  VAL  12          2HG2      VAL  12  -4.395   5.960  -2.817
   83    H    HIS  13           H        HIS  13  -6.136   5.787  -6.236
   84    HA   HIS  13           HA       HIS  13  -8.296   7.472  -5.235
   85   1HB   HIS  13          2HB       HIS  13  -7.754   6.994  -8.227
   86   2HB   HIS  13          1HB       HIS  13  -9.297   7.578  -7.611
   87    HD1  HIS  13           HD1      HIS  13  -5.946   8.765  -8.403
   88    HD2  HIS  13           HD2      HIS  13  -9.135  10.182  -6.283
   89    HE1  HIS  13           HE1      HIS  13  -5.531  11.171  -8.045
   90    H    HIS  14           H        HIS  14  -6.755   4.728  -5.581
   91    HA   HIS  14           HA       HIS  14  -9.012   2.959  -5.105
   92   1HB   HIS  14          2HB       HIS  14  -7.250   2.792  -7.568
   93   2HB   HIS  14          1HB       HIS  14  -7.997   1.339  -6.951
   94    HD1  HIS  14           HD1      HIS  14 -10.777   1.815  -6.578
   95    HD2  HIS  14           HD2      HIS  14  -8.734   4.066  -9.261
   96    HE1  HIS  14           HE1      HIS  14 -12.483   2.773  -8.085
   97    H    GLN  15           H        GLN  15  -8.373   1.587  -3.533
   98    HA   GLN  15           HA       GLN  15  -5.803   1.691  -2.336
   99   1HB   GLN  15          2HB       GLN  15  -8.110   0.825  -1.409
  100   2HB   GLN  15          1HB       GLN  15  -7.616  -0.723  -2.067
  101   1HG   GLN  15          2HG       GLN  15  -5.384  -0.350  -0.721
  102   2HG   GLN  15          1HG       GLN  15  -6.275   0.908   0.124
  103   1HE2  GLN  15          2HE2      GLN  15  -8.337  -1.374   1.901
  104   2HE2  GLN  15          1HE2      GLN  15  -8.150   0.242   1.416
  105    H    LYS  16           H        LYS  16  -6.770   0.125  -5.131
  106    HA   LYS  16           HA       LYS  16  -5.084  -2.202  -5.100
  107   1HB   LYS  16          2HB       LYS  16  -7.028  -2.056  -6.637
  108   2HB   LYS  16          1HB       LYS  16  -6.390  -0.599  -7.366
  109   1HG   LYS  16          2HG       LYS  16  -6.026  -2.665  -8.759
  110   2HG   LYS  16          1HG       LYS  16  -4.538  -1.821  -8.379
  111   1HD   LYS  16          2HD       LYS  16  -3.928  -3.397  -6.700
  112   2HD   LYS  16          1HD       LYS  16  -5.544  -4.069  -6.613
  113   1HE   LYS  16          2HE       LYS  16  -3.785  -4.256  -9.108
  114   2HE   LYS  16          1HE       LYS  16  -3.856  -5.516  -7.886
  115   1HZ   LYS  16          2HZ       LYS  16  -6.473  -4.839  -8.577
  116   2HZ   LYS  16          1HZ       LYS  16  -5.597  -5.073 -10.015
  117   3HZ   LYS  16          3HZ       LYS  16  -5.651  -6.301  -8.843
  118    H    LEU  17           H        LEU  17  -4.972   0.956  -6.537
  119    HA   LEU  17           HA       LEU  17  -2.337   0.848  -7.605
  120   1HB   LEU  17          2HB       LEU  17  -3.793   3.277  -6.510
  121   2HB   LEU  17          1HB       LEU  17  -2.530   3.314  -7.727
  122    HG   LEU  17           HG       LEU  17  -5.347   2.147  -7.973
  123   1HD1  LEU  17          2HD1      LEU  17  -5.157   4.626  -8.115
  124   2HD1  LEU  17          1HD1      LEU  17  -3.982   4.455  -9.411
  125   3HD1  LEU  17          3HD1      LEU  17  -5.643   3.929  -9.653
  126   1HD2  LEU  17          3HD2      LEU  17  -3.026   2.017  -9.926
  127   2HD2  LEU  17          2HD2      LEU  17  -3.979   0.682  -9.289
  128   3HD2  LEU  17          1HD2      LEU  17  -4.701   1.809 -10.418
  129    H    VAL  18           H        VAL  18  -3.568   1.613  -4.379
  130    HA   VAL  18           HA       VAL  18  -1.135   2.607  -3.266
  131    HB   VAL  18           HB       VAL  18  -3.719   1.487  -2.236
  132   1HG1  VAL  18          1HG1      VAL  18  -1.307   1.452  -0.391
  133   2HG1  VAL  18          3HG1      VAL  18  -2.976   1.229   0.100
  134   3HG1  VAL  18          2HG1      VAL  18  -2.200   0.025  -0.902
  135   1HG2  VAL  18          3HG2      VAL  18  -3.047   3.943  -2.417
  136   2HG2  VAL  18          2HG2      VAL  18  -3.717   3.451  -0.879
  137   3HG2  VAL  18          1HG2      VAL  18  -1.982   3.668  -1.057
  138    H    PHE  19           H        PHE  19  -2.444  -0.693  -3.146
  139    HA   PHE  19           HA       PHE  19  -0.275  -2.052  -2.030
  140   1HB   PHE  19          2HB       PHE  19  -2.494  -2.806  -3.921
  141   2HB   PHE  19          1HB       PHE  19  -1.164  -3.943  -3.796
  142    HD1  PHE  19           HD2      PHE  19  -3.271  -1.835  -1.492
  143    HD2  PHE  19           HD1      PHE  19  -1.366  -5.592  -2.146
  144    HE1  PHE  19           HE2      PHE  19  -4.186  -2.666   0.620
  145    HE2  PHE  19           HE1      PHE  19  -2.286  -6.419  -0.029
  146    HZ   PHE  19           HZ       PHE  19  -3.698  -4.960   1.358
  147    H    PHE  20           H        PHE  20  -0.865  -1.399  -5.425
  148    HA   PHE  20           HA       PHE  20   1.433  -2.536  -6.555
  149   1HB   PHE  20          2HB       PHE  20  -0.142  -1.873  -8.157
  150   2HB   PHE  20          1HB       PHE  20  -0.593  -0.434  -7.276
  151    HD1  PHE  20           HD1      PHE  20   2.079  -1.875  -9.416
  152    HD2  PHE  20           HD2      PHE  20   0.330   1.678  -7.847
  153    HE1  PHE  20           HE1      PHE  20   3.477  -0.529 -10.901
  154    HE2  PHE  20           HE2      PHE  20   1.719   3.026  -9.321
  155    HZ   PHE  20           HZ       PHE  20   3.310   1.933 -10.869
  156    H    ALA  21           H        ALA  21   0.918   0.819  -5.508
  157    HA   ALA  21           HA       ALA  21   3.460   1.886  -5.967
  158   1HB   ALA  21          2HB       ALA  21   1.306   3.068  -5.125
  159   2HB   ALA  21          1HB       ALA  21   1.791   2.585  -3.509
  160   3HB   ALA  21          3HB       ALA  21   2.818   3.649  -4.453
  161    H    GLU  22           H        GLU  22   2.369   0.223  -3.056
  162    HA   GLU  22           HA       GLU  22   4.800   0.508  -1.578
  163   1HB   GLU  22          2HB       GLU  22   2.592  -1.592  -1.528
  164   2HB   GLU  22          1HB       GLU  22   4.029  -1.842  -0.560
  165   1HG   GLU  22          2HG       GLU  22   2.682  -0.714   0.975
  166   2HG   GLU  22          1HG       GLU  22   3.574   0.634   0.296
  167    H    ASP  23           H        ASP  23   3.748  -2.143  -3.642
  168    HA   ASP  23           HA       ASP  23   5.975  -3.823  -3.573
  169   1HB   ASP  23          2HB       ASP  23   3.834  -4.226  -4.953
  170   2HB   ASP  23          1HB       ASP  23   4.463  -3.112  -6.129
  171    H    VAL  24           H        VAL  24   5.346  -1.237  -5.762
  172    HA   VAL  24           HA       VAL  24   7.706  -1.103  -7.242
  173    HB   VAL  24           HB       VAL  24   5.761   1.085  -6.380
  174   1HG1  VAL  24          2HG1      VAL  24   7.685   1.040  -8.700
  175   2HG1  VAL  24          1HG1      VAL  24   6.380   2.206  -8.482
  176   3HG1  VAL  24          3HG1      VAL  24   7.697   2.144  -7.322
  177   1HG2  VAL  24          2HG2      VAL  24   5.128  -1.212  -7.738
  178   2HG2  VAL  24          1HG2      VAL  24   4.293   0.313  -7.921
  179   3HG2  VAL  24          3HG2      VAL  24   5.541  -0.158  -9.070
  180    H    GLY  25           H        GLY  25   6.834   0.759  -4.421
  181   1HA   GLY  25          2HA       GLY  25   9.112   2.305  -3.990
  182   2HA   GLY  25          1HA       GLY  25   8.125   1.670  -2.670
  183    H    SER  26           H        SER  26   8.479  -0.911  -2.760
  184    HA   SER  26           HA       SER  26  11.007  -1.368  -1.534
  185   1HB   SER  26          2HB       SER  26   9.097  -3.479  -2.670
  186   2HB   SER  26          1HB       SER  26  10.299  -3.721  -1.391
  187    HG   SER  26           HG       SER  26   8.905  -2.927  -0.068
  188    H    ASN  27           H        ASN  27   9.812  -2.728  -4.560
  189    HA   ASN  27           HA       ASN  27  12.244  -3.831  -5.439
  190   1HB   ASN  27          2HB       ASN  27   9.695  -2.935  -6.869
  191   2HB   ASN  27          1HB       ASN  27  10.978  -3.752  -7.733
  192   1HD2  ASN  27          2HD2      ASN  27   8.352  -5.952  -5.704
  193   2HD2  ASN  27          1HD2      ASN  27   8.111  -4.331  -6.137
  194    H    LYS  28           H        LYS  28  10.740  -1.049  -7.005
  195    HA   LYS  28           HA       LYS  28  12.988  -0.205  -8.462
  196   1HB   LYS  28          2HB       LYS  28  10.375   0.830  -7.870
  197   2HB   LYS  28          1HB       LYS  28  11.496   2.109  -7.446
  198   1HG   LYS  28          2HG       LYS  28  12.539   1.893  -9.711
  199   2HG   LYS  28          1HG       LYS  28  11.407   0.606 -10.087
  200   1HD   LYS  28          2HD       LYS  28  10.441   2.555 -11.069
  201   2HD   LYS  28          1HD       LYS  28   9.506   2.275  -9.617
  202   1HE   LYS  28          2HE       LYS  28  11.922   4.109  -9.480
  203   2HE   LYS  28          1HE       LYS  28  10.415   4.708 -10.154
  204   1HZ   LYS  28          1HZ       LYS  28   9.816   3.343  -7.799
  205   2HZ   LYS  28          3HZ       LYS  28  11.106   4.396  -7.475
  206   3HZ   LYS  28          2HZ       LYS  28   9.662   5.002  -8.131
  207    H    GLY  29           H        GLY  29  12.140   0.369  -5.115
  208   1HA   GLY  29          2HA       GLY  29  14.068   2.338  -4.439
  209   2HA   GLY  29          1HA       GLY  29  13.432   1.143  -3.306
  210    H    ALA  30           H        ALA  30  14.299  -1.191  -3.967
  211    HA   ALA  30           HA       ALA  30  17.054  -1.241  -3.288
  212   1HB   ALA  30          3HB       ALA  30  15.509  -3.185  -2.981
  213   2HB   ALA  30          2HB       ALA  30  15.407  -3.385  -4.723
  214   3HB   ALA  30          1HB       ALA  30  16.930  -3.671  -3.892
  215    H    ILE  31           H        ILE  31  15.504  -1.596  -6.410
  216    HA   ILE  31           HA       ILE  31  17.701  -2.124  -8.039
  217    HB   ILE  31           HB       ILE  31  15.025  -0.713  -8.343
  218   1HG1  ILE  31          2HG1      ILE  31  16.109  -3.342  -9.411
  219   2HG1  ILE  31          1HG1      ILE  31  15.126  -3.169  -7.982
  220   1HG2  ILE  31          2HG2      ILE  31  16.913  -1.189 -10.666
  221   2HG2  ILE  31          1HG2      ILE  31  15.235  -0.670 -10.790
  222   3HG2  ILE  31          3HG2      ILE  31  16.410   0.381 -10.040
  223   1HD1  ILE  31          3HD1      ILE  31  13.332  -2.084  -9.509
  224   2HD1  ILE  31          2HD1      ILE  31  14.271  -2.723 -10.851
  225   3HD1  ILE  31          1HD1      ILE  31  13.581  -3.813  -9.663
  226    H    ILE  32           H        ILE  32  16.351   1.077  -7.301
  227    HA   ILE  32           HA       ILE  32  18.344   2.593  -8.589
  228    HB   ILE  32           HB       ILE  32  16.721   3.230  -6.067
  229   1HG1  ILE  32          2HG1      ILE  32  16.166   4.215  -8.888
  230   2HG1  ILE  32          1HG1      ILE  32  15.591   2.651  -8.395
  231   1HG2  ILE  32          3HG2      ILE  32  18.322   5.059  -7.918
  232   2HG2  ILE  32          2HG2      ILE  32  17.129   5.659  -6.778
  233   3HG2  ILE  32          1HG2      ILE  32  18.560   4.834  -6.192
  234   1HD1  ILE  32          2HD1      ILE  32  14.497   3.814  -6.369
  235   2HD1  ILE  32          1HD1      ILE  32  14.845   5.332  -7.183
  236   3HD1  ILE  32          3HD1      ILE  32  13.784   4.154  -7.935
  237    H    GLY  33           H        GLY  33  18.202   1.451  -5.254
  238   1HA   GLY  33          2HA       GLY  33  20.599   2.551  -4.275
  239   2HA   GLY  33          1HA       GLY  33  19.948   1.002  -3.731
  240    H    LEU  34           H        LEU  34  20.155  -0.575  -5.891
  241    HA   LEU  34           HA       LEU  34  22.885  -1.340  -5.924
  242   1HB   LEU  34          2HB       LEU  34  20.655  -1.997  -7.915
  243   2HB   LEU  34          1HB       LEU  34  22.165  -2.875  -7.823
  244    HG   LEU  34           HG       LEU  34  20.442  -2.599  -5.325
  245   1HD1  LEU  34          3HD1      LEU  34  20.031  -4.549  -7.623
  246   2HD1  LEU  34          2HD1      LEU  34  19.447  -4.865  -5.995
  247   3HD1  LEU  34          1HD1      LEU  34  18.841  -3.486  -6.887
  248   1HD2  LEU  34          2HD2      LEU  34  22.357  -4.751  -6.301
  249   2HD2  LEU  34          1HD2      LEU  34  22.721  -3.523  -5.097
  250   3HD2  LEU  34          3HD2      LEU  34  21.520  -4.751  -4.757
  251    H    MET  35           H        MET  35  21.002   0.335  -8.405
  252    HA   MET  35           HA       MET  35  22.996   0.658 -10.360
  253   1HB   MET  35          2HB       MET  35  20.703   2.509  -9.568
  254   2HB   MET  35          1HB       MET  35  21.664   2.743 -11.013
  255   1HG   MET  35          2HG       MET  35  20.889   0.777 -12.017
  256   2HG   MET  35          1HG       MET  35  20.372   0.068 -10.511
  257   1HE   MET  35          1HE       MET  35  18.604  -0.683 -12.417
  258   2HE   MET  35          3HE       MET  35  17.286   0.352 -12.963
  259   3HE   MET  35          2HE       MET  35  18.908   0.576 -13.615
  260    H    VAL  36           H        VAL  36  22.156   2.798  -7.731
  261    HA   VAL  36           HA       VAL  36  24.048   4.845  -8.079
  262    HB   VAL  36           HB       VAL  36  22.662   3.719  -5.591
  263   1HG1  VAL  36          1HG1      VAL  36  24.492   6.152  -5.813
  264   2HG1  VAL  36          3HG1      VAL  36  23.330   5.949  -4.511
  265   3HG1  VAL  36          2HG1      VAL  36  24.643   4.803  -4.697
  266   1HG2  VAL  36          1HG2      VAL  36  21.358   4.918  -7.471
  267   2HG2  VAL  36          3HG2      VAL  36  21.164   5.574  -5.855
  268   3HG2  VAL  36          2HG2      VAL  36  22.222   6.372  -7.009
  269    H    GLY  37           H        GLY  37  24.288   1.902  -6.091
  270   1HA   GLY  37          2HA       GLY  37  26.894   2.243  -5.090
  271   2HA   GLY  37          1HA       GLY  37  26.151   0.675  -5.399
  272    H    GLY  38           H        GLY  38  25.926   0.439  -7.974
  273   1HA   GLY  38          2HA       GLY  38  26.982   0.368 -10.101
  274   2HA   GLY  38          1HA       GLY  38  28.356   1.254  -9.441
  275    H    VAL  39           H        VAL  39  28.596  -0.442  -7.165
  276    HA   VAL  39           HA       VAL  39  29.603  -2.987  -8.312
  277    HB   VAL  39           HB       VAL  39  30.923  -1.513  -5.972
  278   1HG1  VAL  39          1HG1      VAL  39  31.968  -3.559  -7.991
  279   2HG1  VAL  39          3HG1      VAL  39  32.931  -2.835  -6.714
  280   3HG1  VAL  39          2HG1      VAL  39  31.591  -3.885  -6.308
  281   1HG2  VAL  39          3HG2      VAL  39  31.503  -1.107  -8.938
  282   2HG2  VAL  39          2HG2      VAL  39  31.052   0.121  -7.764
  283   3HG2  VAL  39          1HG2      VAL  39  32.625  -0.647  -7.666
  284    H    VAL  40           H        VAL  40  27.122  -2.185  -7.103
  285    HA   VAL  40           HA       VAL  40  26.986  -4.143  -4.868
  286    HB   VAL  40           HB       VAL  40  25.506  -1.457  -4.891
  287   1HG1  VAL  40          3HG1      VAL  40  25.837  -3.604  -2.747
  288   2HG1  VAL  40          2HG1      VAL  40  25.048  -2.054  -2.499
  289   3HG1  VAL  40          1HG1      VAL  40  24.355  -3.222  -3.607
  290   1HG2  VAL  40          2HG2      VAL  40  28.036  -2.263  -3.386
  291   2HG2  VAL  40          1HG2      VAL  40  27.880  -0.960  -4.557
  292   3HG2  VAL  40          3HG2      VAL  40  27.079  -0.841  -3.003
   
  No H/Q in entry =         292