*HEADER    GLYCOPROTEIN                            23-JUN-98   1BJC      
*TITLE     SOLUTION NMR STRUCTURE OF AMYLOID BETA[F16], RESIDUES 1-28,   
*TITLE    2 15 STRUCTURES                                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: AMYLOID BETA-PEPTIDE;                              
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: ABETA [F16], RESIDUES 1-28;                        
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MUTATION: K16F                                               
*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       
*EXPDTA    NMR, 15 STRUCTURES                                            
*AUTHOR    S.-A.POULSEN,A.A.WATSON,D.J.CRAIK                             
*REVDAT   1   12-OCT-04 1BJC    0   

!sp010896_2.tbl noe table for bA1-28F16 at pH5.8 750 MHz, 296K, H20/SDS
!sp010896/6/10 level 70000 contour factor 1.35,  noe's

assign (resid   2 and name  HN  )(resid   2 and name  HA   ) 0.0 0.0 3.4 ! m                                            
assign (resid   2 and name  HN  )(resid   2 and name  HB*  ) 0.0 0.0 4.3 ! sm                                           
assign (resid   2 and name  HN  )(resid   1 and name  HA   ) 0.0 0.0 3.4 ! m                                            
assign (resid   2 and name  HN  )(resid   1 and name  HB*  ) 0.0 0.0 5.2 ! w                                            
!assign (resid   2 and name  HN  )(resid   1 and name  HBu  ) 0.0 0.0 4.2 ! w     stronger of pair                       
assign (resid  13 and name  HA  )(resid  13 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  15 and name  HA  )(resid  15 and name  HN   ) 0.0 0.0 3.4 ! m     HN of Q15 and H13 degenerate           
assign (resid  12 and name  HA  )(resid  13 and name  HN   ) 0.0 0.0 3.4 ! m adjusted to medium                                           
!assign (resid  13 and name  HBd )(resid  13 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  13 and name  HB* )(resid  13 and name  HN   ) 0.0 0.0 3.8 ! s                                            
assign (resid  15 and name  HG* )(resid  15 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  12 and name  HB  )(resid  13 and name  HN   ) 0.0 0.0 3.4 ! m     could also be 12/15,partially overlappe
assign (resid  15 and name  HB* )(resid  15 and name  HN   ) 0.0 0.0 3.8 ! sg                                            
assign (resid  12 and name  HG2*)(resid  13 and name  HN   ) 0.0 0.0 4.9 ! mm                                           
assign (resid  12 and name  HG1*)(resid  13 and name  HN   ) 0.0 0.0 4.9 ! mm     opp of diagonal                       
assign (resid   7 and name  HA  )(resid   7 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   4 and name  HA  )(resid   7 and name  HN   ) 0.0 0.0 5.0 ! vw    aN(i,i+3)                              
assign (resid   5 and name  HA  )(resid   7 and name  HN   ) 0.0 0.0 5.0 ! vw    aN(i,i+2)                              
assign (resid   6 and name  HB* )(resid   7 and name  HN   ) 0.0 0.0 5.2 ! w                                            
!assign (resid   6 and name  HBu )(resid   7 and name  HN   ) 0.0 0.0 4.2 ! w                                            
assign (resid   7 and name  HB* )(resid   7 and name  HN   ) 0.0 0.0 4.4 ! m                                            
!assign (resid   7 and name  HBu )(resid   7 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   8 and name  HA  )(resid   9 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   9 and name  HA* )(resid   9 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  10 and name  HB* )(resid   9 and name  HA*  ) 0.0 0.0 8.0 ! vwl                                          
assign (resid  27 and name  HA  )(resid  27 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  26 and name  HA  )(resid  27 and name  HN   ) 0.0 0.0 3.4 ! m                                            
!assign (resid  27 and name  HBd )(resid  27 and name  HN   ) 0.0 0.0 4.2 ! w                                            
assign (resid  27 and name  HB* )(resid  27 and name  HN   ) 0.0 0.0 4.4 ! m     stronger of two                        
assign (resid   2 and name  HA  )(resid   3 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   3 and name  HG* )(resid   3 and name  HN   ) 0.0 0.0 5.2 ! wg                                           
assign (resid   3 and name  HB* )(resid   3 and name  HN   ) 0.0 0.0 4.4 ! m                                            
!assign (resid   3 and name  HBu )(resid   3 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   2 and name  HB* )(resid   3 and name  HN   ) 0.0 0.0 4.9 ! mm                                           
assign (resid  25 and name  HA* )(resid  25 and name  HN   ) 0.0 0.0 3.8 ! sg                                           
assign (resid  24 and name  HG1*)(resid  25 and name  HN   ) 0.0 0.0 4.9 ! mm                                           
assign (resid  24 and name  HG2*)(resid  25 and name  HN   ) 0.0 0.0 4.9 ! mm    opp of diagonal                   
assign (resid   7 and name  HA  )(resid   8 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   8 and name  HA  )(resid   8 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   8 and name  HB* )(resid   8 and name  HN   ) 0.0 0.0 4.4 ! mg                                           
assign (resid   6 and name  HB* )(resid   8 and name  HN   ) 0.0 0.0 5.2 ! w     bN(i,i+2)                              
!assign (resid   6 and name  HBu )(resid   8 and name  HN   ) 0.0 0.0 4.2 ! w     stronger of two/bN(i,i+2)              
assign (resid   7 and name  HB* )(resid   8 and name  HN   ) 0.0 0.0 5.2 ! w                                            
!assign (resid   7 and name  HBu )(resid   8 and name  HN   ) 0.0 0.0 4.2 ! w                                            
assign (resid   6 and name  HA  )(resid   6 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   4 and name  HA  )(resid   6 and name  HN   ) 0.0 0.0 4.2 ! w     aN(i,i+2)                              
assign (resid   5 and name  HA  )(resid   6 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   6 and name  HB* )(resid   6 and name  HN   ) 0.0 0.0 4.4 ! m                                            
assign (resid   5 and name  HB* )(resid   6 and name  HN   ) 0.0 0.0 5.2 ! w                                            
!assign (resid   5 and name  HBu )(resid   6 and name  HN   ) 0.0 0.0 4.2 ! w                                            
assign (resid   5 and name  HG* )(resid   6 and name  HN   ) 0.0 0.0 4.4 ! mg    partially overlapped                   
assign (resid  16 and name  HA  )(resid  16 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 2.8 ! s                                            
assign (resid  15 and name  HG* )(resid  16 and name  HN   ) 0.0 0.0 5.2 ! wg                                           
assign (resid  15 and name  HB* )(resid  16 and name  HN   ) 0.0 0.0 4.4 ! mg                                           
assign (resid  21 and name  HA  )(resid  21 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  20 and name  HA  )(resid  21 and name  HN   ) 0.0 0.0 3.4 ! m

assign (resid  20 and name  HB* )(resid  21 and name  HN   ) 0.0 0.0 4.4 ! m                                            
assign (resid  21 and name  HB* )(resid  21 and name  HN   ) 0.0 0.0 4.3 ! sm                                           
assign (resid  18 and name  HG2*)(resid  21 and name  HN   ) 0.0 0.0 5.7 ! wm                                            
assign (resid  18 and name  HG1*)(resid  21 and name  HN   ) 0.0 0.0 6.5 ! vwm                                            
assign (resid  19 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  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  18 and name  HA  )(resid  20 and name  HN   ) 0.0 0.0 5.0 ! vw    aN(i,i+2)                              
assign (resid  18 and name  HA  )(resid  21 and name  HN   ) 0.0 0.0 4.2 ! w     aN(i,i+3)                              
assign (resid  18 and name  HA  )(resid  22 and name  HN   ) 0.0 0.0 5.0 ! vw    aN(i,i+4)                              
assign (resid  20 and name  HB* )(resid  20 and name  HN   ) 0.0 0.0 3.8 ! s     overlap in this region                 
!assign (resid  20 and name  HBu )(resid  20 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  23 and name  HA  )(resid  23 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  22 and name  HA  )(resid  23 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  21 and name  HA  )(resid  23 and name  HN   ) 0.0 0.0 4.2 ! w     aN(i,i+2)                              
!assign (resid  23 and name  HBd )(resid  23 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  23 and name  HB* )(resid  23 and name  HN   ) 0.0 0.0 3.8 ! s                                            
assign (resid  22 and name  HG* )(resid  23 and name  HN   ) 0.0 0.0 5.2 ! w                                            
!assign (resid  22 and name  HGu )(resid  23 and name  HN   ) 0.0 0.0 5.0 ! vw                                           
assign (resid  22 and name  HB* )(resid  23 and name  HN   ) 0.0 0.0 3.8 ! sg                                           
assign (resid  21 and name  HB* )(resid  20 and name  HN   ) 0.0 0.0 4.9 ! mm                                           
assign (resid  24 and name  HG2*)(resid  20 and name  HN   ) 0.0 0.0 5.7 ! wm                                           
!assign (resid  24 and name  HG1*)(resid  20 and name  HN   ) 0.0 0.0 6.5 ! vwm   opp of diagonal missassigned                       
assign (resid  14 and name  HA  )(resid  14 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  14 and name  HB* )(resid  14 and name  HN   ) 0.0 0.0 4.4 ! mg    in region of overlap                   
assign (resid  12 and name  HG1*)(resid  14 and name  HN   ) 0.0 0.0 4.9 ! mm                                           
assign (resid  12 and name  HG2*)(resid  14 and name  HN   ) 0.0 0.0 5.7 ! wm    opposite of diagonal                   
assign (resid  22 and name  HA  )(resid  22 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                                            
assign (resid  23 and name  HB* )(resid  22 and name  HN   ) 0.0 0.0 5.2 ! w                                            
!assign (resid  23 and name  HBd )(resid  22 and name  HN   ) 0.0 0.0 5.0 ! vw                                           
assign (resid  22 and name  HG* )(resid  22 and name  HN   ) 0.0 0.0 4.4 ! m                                            
!assign (resid  22 and name  HGu )(resid  22 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  22 and name  HB* )(resid  22 and name  HN   ) 0.0 0.0 3.8 ! sg                                           
assign (resid  21 and name  HB* )(resid  22 and name  HN   ) 0.0 0.0 4.3 ! sm                                           
assign (resid  10 and name  HA  )(resid  11 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  10 and name  HA  )(resid  10 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  12 and name  HA  )(resid  11 and name  HN   ) 0.0 0.0 4.2 ! w                                            
assign (resid  10 and name  HB* )(resid  11 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  11 and name  HG* )(resid  11 and name  HN   ) 0.0 0.0 5.2 ! wg                                           
!assign (resid  11 and name  HBd )(resid  11 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  11 and name  HB* )(resid  11 and name  HN   ) 0.0 0.0 4.4 ! s                                            
assign (resid  12 and name  HG* )(resid  11 and name  HN   ) 0.0 0.0 5.7 ! wm    reverse                                
assign (resid  26 and name  HA  )(resid  26 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  26 and name  HB* )(resid  26 and name  HN   ) 0.0 0.0 3.8 ! sg                                           
assign (resid  11 and name  HG* )(resid  12 and name  HA   ) 0.0 0.0 5.2 ! wg                                           
assign (resid  12 and name  HB  )(resid  12 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  12 and name  HG1*)(resid  12 and name  HN   ) 0.0 0.0 4.9 ! mm                                           
assign (resid  12 and name  HG2*)(resid  12 and name  HN   ) 0.0 0.0 4.3 ! sm    opp of diagonal                        
assign (resid   4 and name  HA  )(resid   4 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  11 and name  HA  )(resid  12 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   3 and name  HA  )(resid   4 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  12 and name  HA  )(resid  12 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   4 and name  HB* )(resid   4 and name  HN   ) 0.0 0.0 3.8 ! s                                            
!assign (resid   4 and name  HBu )(resid   4 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   2 and name  HB* )(resid   4 and name  HN   ) 0.0 0.0 5.7 ! wm    bN(i,i+2)                              
assign (resid  10 and name  HA  )(resid  10 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid   9 and name  HA* )(resid  10 and name  HN   ) 0.0 0.0 3.8 ! sg                                           
assign (resid  10 and name  HB* )(resid  10 and name  HN   ) 0.0 0.0 3.8 ! sg                                           
assign (resid   4 and name  HA  )(resid   5 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 2.8 ! s                                            
!assign (resid   5 and name  HBd )(resid   5 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   5 and name  HB* )(resid   5 and name  HN   ) 0.0 0.0 3.8 ! s     in region of overlap                   
assign (resid   5 and name  HG* )(resid   5 and name  HN   ) 0.0 0.0 4.4 ! mg                                           
assign (resid   2 and name  HB* )(resid   5 and name  HN   ) 0.0 0.0 6.5 ! vwm                                          
assign (resid  16 and name  HA  )(resid  17 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 2.8 ! s                                            
assign (resid  18 and name  HA  )(resid  17 and name  HN   ) 0.0 0.0 5.0 ! vw    reverse                                
assign (resid  16 and name  HB* )(resid  17 and name  HN   ) 0.0 0.0 4.4 ! mg                                           
assign (resid  17 and name  HB* )(resid  17 and name  HN   ) 0.0 0.0 4.4 ! mg                                           
assign (resid  17 and name  HG* )(resid  17 and name  HN   ) 0.0 0.0 4.4 ! mg                                           
assign (resid  17 and name  HD* )(resid  17 and name  HN   ) 0.0 0.0 5.9 ! mg                                           
!assign (resid  17 and name  HDd*)(resid  17 and name  HN   ) 0.0 0.0 4.4 ! mg    opp of diagonal                        
assign (resid  23 and name  HA  )(resid  24 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  21 and name  HA  )(resid  24 and name  HN   ) 0.0 0.0 4.2 ! w                                            
assign (resid  24 and name  HA  )(resid  24 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  23 and name  HB* )(resid  24 and name  HN   ) 0.0 0.0 4.4 ! mg                                            
!assign (resid  23 and name  HBu )(resid  24 and name  HA   ) 0.0 0.0 3.4 ! m                                            
assign (resid  24 and name  HB  )(resid  24 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  21 and name  HB* )(resid  24 and name  HN   ) 0.0 0.0 6.5 ! vwm     bN(i,i+3)                              
assign (resid  24 and name  HG2*)(resid  24 and name  HN   ) 0.0 0.0 4.3 ! sm                                           
assign (resid  24 and name  HG1*)(resid  24 and name  HN   ) 0.0 0.0 4.9 ! mm    opposite of diagonal                   
assign (resid  16 and name  HA  )(resid  19 and name  HN   ) 0.0 0.0 3.4 ! m     aN(i,i+3)                              
assign (resid  19 and name  HA  )(resid  19 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  18 and name  HA  )(resid  19 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  16 and name  HB* )(resid  19 and name  HN   ) 0.0 0.0 5.2 ! wg    bN(i,i+3)                              
assign (resid  18 and name  HB  )(resid  19 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  17 and name  HB* )(resid  19 and name  HN   ) 0.0 0.0 5.2 ! wg    bN(i,i+2)                              
assign (resid  19 and name  HB* )(resid  19 and name  HN   ) 0.0 0.0 3.8 ! s                                            
!assign (resid  19 and name  HBd )(resid  19 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  17 and name  HG* )(resid  19 and name  HN   ) 0.0 0.0 6.0 ! vwg   gn(i,i+2)                              
assign (resid  18 and name  HG1*)(resid  19 and name  HN   ) 0.0 0.0 4.9 ! mm                                           
assign (resid  18 and name  HG2*)(resid  19 and name  HN   ) 0.0 0.0 4.9 ! mm    opp of diagonal                        
assign (resid  27 and name  HA  )(resid  28 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  26 and name  HA  )(resid  28 and name  HN   ) 0.0 0.0 5.0 ! vw    aN(i,i+2)                              
assign (resid  28 and name  HA  )(resid  28 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  27 and name  HB* )(resid  28 and name  HN   ) 0.0 0.0 6.0 ! vw                                           
!assign (resid  27 and name  HBu )(resid  28 and name  HN   ) 0.0 0.0 5.0 ! vw    stronger of pair                       
assign (resid  28 and name  HB* )(resid  28 and name  HN   ) 0.0 0.0 5.2 ! wg                                           
assign (resid  28 and name  HD* )(resid  28 and name  HN   ) 0.0 0.0 4.4 ! mg                                           
assign (resid  28 and name  HG* )(resid  28 and name  HN   ) 0.0 0.0 4.4 ! mg                                           
assign (resid  16 and name  HA  )(resid  18 and name  HN   ) 0.0 0.0 5.0 ! vw                                           
assign (resid  15 and name  HA  )(resid  18 and name  HN   ) 0.0 0.0 3.4 ! m     aN(i,i+3)                              
assign (resid  17 and name  HA  )(resid  18 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  18 and name  HA  )(resid  18 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  16 and name  HB* )(resid  18 and name  HN   ) 0.0 0.0 6.0 ! vw    bN(i,i+2)                              
!assign (resid  16 and name  HBu )(resid  18 and name  HN   ) 0.0 0.0 5.0 ! vw    bN(i,i+2)                              
assign (resid  18 and name  HB  )(resid  18 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  17 and name  HB* )(resid  18 and name  HN   ) 0.0 0.0 5.2 ! wg                                           
assign (resid  17 and name  HG* )(resid  18 and name  HN   ) 0.0 0.0 5.2 ! wg                                           
assign (resid  18 and name  HG2*)(resid  18 and name  HN   ) 0.0 0.0 4.3 ! sm                                           
assign (resid  18 and name  HG1*)(resid  18 and name  HN   ) 0.0 0.0 4.9 ! mm                                           
assign (resid  16 and name  HA  )(resid  16 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  19 and name  HA  )(resid  19 and name  HE*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  20 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  10 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  11 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 6.2 ! wa    reverse                                
assign (resid  12 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 7.0 ! vwa   reverse                                
assign (resid  16 and name  HA  )(resid  16 and name  HE*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  19 and name  HA  )(resid  19 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  20 and name  HA  )(resid  20 and name  HE*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  10 and name  HA  )(resid  10 and name  HE*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  12 and name  HA  )(resid  10 and name  HE*  ) 0.0 0.0 6.2 ! wa    reverse                                
assign (resid  28 and name  HE* )(resid  28 and name  HZ*  ) 0.0 0.0 6.4 ! ml                                           
!assign (resid  20 and name  HBd )(resid  20 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
!assign (resid  20 and name  HBu )(resid  20 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  19 and name  HB* )(resid  19 and name  HE*  ) 0.0 0.0 7.2 ! wa                                           
!assign (resid  19 and name  HBu )(resid  19 and name  HE*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid   5 and name  HD* )(resid   5 and name  HE   ) 0.0 0.0 3.8 ! sg                                           
assign (resid  10 and name  HB* )(resid  10 and name  HD*  ) 0.0 0.0 5.8 ! sl                                           
assign (resid  20 and name  HB* )(resid  20 and name  HE*  ) 0.0 0.0 7.2 ! wa                                           
!assign (resid  19 and name  HBd )(resid  19 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
!assign (resid  19 and name  HBu )(resid  19 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  10 and name  HB* )(resid  10 and name  HE*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  23 and name  HB* )(resid  19 and name  HE*  ) 0.0 0.0 7.2 ! wa    reverse                                
!assign (resid  23 and name  HBu )(resid  19 and name  HE*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  17 and name  HD* )(resid  16 and name  HD*  ) 0.0 0.0 5.9 ! mmg   opp of diagonal                        
!assign (resid  17 and name  HDd*)(resid  16 and name  HD*  ) 0.0 0.0 6.7 ! wmg   opp of diagonal                        
assign (resid  24 and name  HG2*)(resid  20 and name  HD*  ) 0.0 0.0 5.9 ! mmg   opp of diagonal                        
assign (resid  24 and name  HG1*)(resid  20 and name  HD*  ) 0.0 0.0 5.9 ! mmg   opp of diagonal                        
assign (resid   2 and name  HN  )(resid   3 and name  HN   ) 0.0 0.0 4.2 ! w                                            
assign (resid  15 and name  HN  )(resid  16 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 3.4 ! m                                            
assign (resid   8 and name  HN  )(resid   9 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   9 and name  HN  )(resid  10 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  26 and name  HN  )(resid  27 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  27 and name  HN  )(resid  28 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  24 and name  HN  )(resid  25 and name  HN   ) 0.0 0.0 2.8 ! s     level 9 strong                         
assign (resid  19 and name  HN  )(resid  20 and name  HN   ) 0.0 0.0 2.8 ! s                                            
assign (resid  23 and name  HN  )(resid  24 and name  HN   ) 0.0 0.0 3.4 ! m     level 5 medium                         
assign (resid  21 and name  HN  )(resid  22 and name  HN   ) 0.0 0.0 2.8 ! s     overlap with diagonal                  
!assign (resid  10 and name  HN  )(resid  11 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid   4 and name  HN  )(resid   5 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  17 and name  HN  )(resid  18 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  18 and name  HN  )(resid  19 and name  HN   ) 0.0 0.0 3.4 ! m                                            
assign (resid  18 and name  HA  )(resid  17 and name  HB*  ) 0.0 0.0 6.0 ! vwg                                          
assign (resid   9 and name  HA* )(resid   8 and name  HB*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  24 and name  HA  )(resid  24 and name  HG2* ) 0.0 0.0 4.3 ! sm                                           
assign (resid  24 and name  HA  )(resid  24 and name  HG1* ) 0.0 0.0 4.3 ! sm                                           
assign (resid  24 and name  HA  )(resid  24 and name  HB   ) 0.0 0.0 2.8 ! s                                            
assign (resid  18 and name  HA  )(resid  18 and name  HG1* ) 0.0 0.0 4.3 ! sm                                           
assign (resid  18 and name  HA  )(resid  18 and name  HG2* ) 0.0 0.0 4.3 ! sm                                           
assign (resid  18 and name  HA  )(resid  21 and name  HB*  ) 0.0 0.0 4.3 ! sm                                           
assign (resid  18 and name  HA  )(resid  18 and name  HB   ) 0.0 0.0 3.4 ! m                                            
assign (resid  12 and name  HA  )(resid  12 and name  HG1* ) 0.0 0.0 4.3 ! sm                                           
assign (resid  12 and name  HA  )(resid  12 and name  HG2* ) 0.0 0.0 4.3 ! sm                                           
assign (resid  12 and name  HA  )(resid  12 and name  HB   ) 0.0 0.0 2.8 ! s                                            
assign (resid  21 and name  HA  )(resid  24 and name  HG2* ) 0.0 0.0 4.9 ! mm    stronger of pair                       
assign (resid  21 and name  HA  )(resid  24 and name  HG1* ) 0.0 0.0 5.7 ! wm                                           
assign (resid  21 and name  HA  )(resid  21 and name  HB*  ) 0.0 0.0 4.3 ! sm                                           
assign (resid  21 and name  HA  )(resid  24 and name  HB   ) 0.0 0.0 4.2 ! w                                            
assign (resid  17 and name  HA  )(resid  17 and name  HD*  ) 0.0 0.0 5.3 ! smg                                           
!assign (resid  17 and name  HA  )(resid  17 and name  HDd* ) 0.0 0.0 5.9 ! mmg    weaker of pair                         
assign (resid  28 and name  HA  )(resid  28 and name  HG*  ) 0.0 0.0 5.2 ! wg                                           
assign (resid   5 and name  HA  )(resid   5 and name  HG*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid   5 and name  HA  )(resid   5 and name  HGd  ) 0.0 0.0 3.4 ! m                                            
assign (resid  17 and name  HA  )(resid  17 and name  HG   ) 0.0 0.0 2.8 ! s                                            
assign (resid   5 and name  HA  )(resid   5 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
assign (resid   3 and name  HA  )(resid   3 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid   3 and name  HA  )(resid   3 and name  HBd  ) 0.0 0.0 3.4 ! m       stronger of pair                     
assign (resid  22 and name  HA  )(resid  22 and name  HB*  ) 0.0 0.0 3.8 ! sg                                           
assign (resid  15 and name  HA  )(resid  15 and name  HB*  ) 0.0 0.0 2.8 ! s     in region of overlap                   
assign (resid  20 and name  HA  )(resid  23 and name  HB*  ) 0.0 0.0 6.0 ! vw    ab(i,i+3)                              
assign (resid  20 and name  HA  )(resid  20 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  20 and name  HA  )(resid  20 and name  HBd  ) 0.0 0.0 3.4 ! m                                            
assign (resid  15 and name  HA  )(resid  18 and name  HG2* ) 0.0 0.0 4.9 ! mm    ag(i,i+3)                              
assign (resid  15 and name  HA  )(resid  18 and name  HG1* ) 0.0 0.0 5.7 ! wm    ag(i,i+3)                              
assign (resid  20 and name  HA  )(resid  24 and name  HG2* ) 0.0 0.0 5.7 ! wm                                           
assign (resid  19 and name  HA  )(resid  18 and name  HG1* ) 0.0 0.0 5.7 ! wm    reverse                                
assign (resid  11 and name  HA  )(resid  12 and name  HG2* ) 0.0 0.0 4.9 ! mm                                           
!assign (resid  11 and name  HA  )(resid  12 and name  HG1* ) 0.0 0.0 5.7 ! wm    weaker of pair                         
assign (resid   2 and name  HA  )(resid   2 and name  HB*  ) 0.0 0.0 4.3 ! sm                                           
assign (resid  11 and name  HA  )(resid  11 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  11 and name  HA  )(resid  11 and name  HBd  ) 0.0 0.0 3.4 ! m                                            
assign (resid  19 and name  HA  )(resid  22 and name  HB*  ) 0.0 0.0 4.4 ! mg    ab(i,i+3)                              
assign (resid  11 and name  HA  )(resid  12 and name  HB   ) 0.0 0.0 4.2 ! w                                            
!assign (resid  11 and name  HA  )(resid  11 and name  HGu  ) 0.0 0.0 4.2 ! w                                            
assign (resid  11 and name  HA  )(resid  11 and name  HG*  ) 0.0 0.0 3.4 ! m                                            
!assign (resid   1 and name  HA  )(resid   1 and name  HBu  ) 0.0 0.0 4.2 ! w                                            
assign (resid   1 and name  HA  )(resid   1 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
assign (resid  19 and name  HA  )(resid  19 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  19 and name  HA  )(resid  19 and name  HBd  ) 0.0 0.0 3.4 ! m                                            
assign (resid  16 and name  HA  )(resid  19 and name  HB*  ) 0.0 0.0 4.4 ! m     ab(i,i+3)                              
!assign (resid  16 and name  HA  )(resid  19 and name  HBd  ) 0.0 0.0 4.2 ! w     ab(i,i+3)                              
assign (resid  16 and name  HA  )(resid  16 and name  HB*  ) 0.0 0.0 3.8 ! sg                                           
assign (resid   8 and name  HA  )(resid   8 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid   8 and name  HA  )(resid   8 and name  HBd  ) 0.0 0.0 3.4 ! m                                            
assign (resid  26 and name  HA  )(resid  26 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  26 and name  HA  )(resid  26 and name  HBd  ) 0.0 0.0 3.4 ! m                                            
assign (resid  10 and name  HA  )(resid  10 and name  HB*  ) 0.0 0.0 3.8 ! sg                                           
assign (resid   4 and name  HA  )(resid   4 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid   4 and name  HA  )(resid   4 and name  HBu  ) 0.0 0.0 3.4 ! m                                            
assign (resid  23 and name  HA  )(resid  23 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  23 and name  HA  )(resid  23 and name  HBu  ) 0.0 0.0 3.4 ! m                                            
assign (resid  14 and name  HA  )(resid  14 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  14 and name  HA  )(resid  14 and name  HBu  ) 0.0 0.0 3.4 ! m                                            
assign (resid  14 and name  HA  )(resid  15 and name  HB*  ) 0.0 0.0 5.2 ! wg                            
assign (resid  14 and name  HA  )(resid  15 and name  HG*  ) 0.0 0.0 6.0 ! vwg                                           
assign (resid   6 and name  HA  )(resid   6 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
assign (resid  13 and name  HA  )(resid  13 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
assign (resid   7 and name  HA  )(resid   7 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid   7 and name  HA  )(resid   7 and name  HBu  ) 0.0 0.0 3.4 ! m                                            
assign (resid  27 and name  HA  )(resid  27 and name  HB*  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  27 and name  HA  )(resid  27 and name  HBu  ) 0.0 0.0 3.4 ! m                                            
assign (resid  13 and name  HA  )(resid  12 and name  HG*  ) 0.0 0.0 6.7 ! wm                                           
!assign (resid  13 and name  HA  )(resid  12 and name  HGu  ) 0.0 0.0 6.7 ! wm    reverse                                
assign (resid  14 and name  HA  )(resid  17 and name  HD*  ) 0.0 0.0 8.0 ! vwl   ad(i,i+3)                              
assign (resid  16 and name  HN  )(resid  18 and name  HN   ) 0.0 0.0 5.0 ! vw    NN(i,i+2)                              
assign (resid  11 and name  HN  )(resid  10 and name  HD*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  10 and name  HN  )(resid  10 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  HE*  ) 0.0 0.0 7.0 ! vwa                                          

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ASP   1          3H        ASP   1 -11.488 -19.081 -19.081
    2   2H    ASP   1          2H        ASP   1 -12.061 -20.017 -20.017
    3   3H    ASP   1          1H        ASP   1 -10.544 -19.259 -19.259
    4    HA   ASP   1           HA       ASP   1  -9.562 -21.016 -21.016
    5   1HB   ASP   1          2HB       ASP   1 -12.397 -22.097 -22.097
    6   2HB   ASP   1          1HB       ASP   1 -10.944 -23.069 -23.069
    7    H    ALA   2           H        ALA   2  -8.688 -21.587 -21.587
    8    HA   ALA   2           HA       ALA   2  -8.181 -21.554 -21.554
    9   1HB   ALA   2          2HB       ALA   2 -10.333 -22.998 -22.998
   10   2HB   ALA   2          1HB       ALA   2 -11.188 -21.575 -21.575
   11   3HB   ALA   2          3HB       ALA   2  -9.911 -22.285 -22.285
   12    H    GLU   3           H        GLU   3  -7.726 -19.250 -19.250
   13    HA   GLU   3           HA       GLU   3  -9.305 -17.092 -17.092
   14   1HB   GLU   3          2HB       GLU   3  -6.789 -17.274 -17.274
   15   2HB   GLU   3          1HB       GLU   3  -7.213 -15.750 -15.750
   16   1HG   GLU   3          2HG       GLU   3  -8.091 -15.978 -15.978
   17   2HG   GLU   3          1HG       GLU   3  -9.331 -15.639 -15.639
   18    H    PHE   4           H        PHE   4  -8.303 -18.975 -18.975
   19    HA   PHE   4           HA       PHE   4  -7.052 -17.205 -17.205
   20   1HB   PHE   4          2HB       PHE   4  -5.218 -19.070 -19.070
   21   2HB   PHE   4          1HB       PHE   4  -4.974 -18.060 -18.060
   22    HD1  PHE   4           HD1      PHE   4  -6.151 -21.388 -21.388
   23    HD2  PHE   4           HD2      PHE   4  -5.212 -18.964 -18.964
   24    HE1  PHE   4           HE1      PHE   4  -6.244 -23.363 -23.363
   25    HE2  PHE   4           HE2      PHE   4  -5.305 -20.942 -20.942
   26    HZ   PHE   4           HZ       PHE   4  -5.821 -23.146 -23.146
   27    H    ARG   5           H        ARG   5  -9.334 -19.016 -19.016
   28    HA   ARG   5           HA       ARG   5  -9.562 -21.041 -21.041
   29   1HB   ARG   5          2HB       ARG   5 -10.825 -20.847 -20.847
   30   2HB   ARG   5          1HB       ARG   5 -11.815 -19.615 -19.615
   31   1HG   ARG   5          2HG       ARG   5 -12.380 -21.364 -21.364
   32   2HG   ARG   5          1HG       ARG   5 -11.550 -22.542 -22.542
   33   1HD   ARG   5          2HD       ARG   5 -13.984 -22.609 -22.609
   34   2HD   ARG   5          1HD       ARG   5 -13.115 -22.002 -22.002
   35    HE   ARG   5           HE       ARG   5 -14.099 -19.896 -19.896
   36   1HH1  ARG   5          1HH2      ARG   5 -14.572 -21.893 -21.893
   37   2HH1  ARG   5          2HH2      ARG   5 -15.668 -20.778 -20.778
   38   1HH2  ARG   5          2HH1      ARG   5 -15.482 -18.483 -18.483
   39   2HH2  ARG   5          1HH1      ARG   5 -16.196 -18.819 -18.819
   40    H    HIS   6           H        HIS   6  -8.777 -19.642 -19.642
   41    HA   HIS   6           HA       HIS   6 -10.760 -19.021 -19.021
   42   1HB   HIS   6          2HB       HIS   6  -9.910 -16.422 -16.422
   43   2HB   HIS   6          1HB       HIS   6 -11.324 -16.908 -16.908
   44    HD1  HIS   6           HD1      HIS   6 -11.116 -16.714 -16.714
   45    HD2  HIS   6           HD2      HIS   6  -7.549 -15.954 -15.954
   46    HE1  HIS   6           HE1      HIS   6  -9.624 -15.808 -15.808
   47    H    ASP   7           H        ASP   7  -7.534 -19.009 -19.009
   48    HA   ASP   7           HA       ASP   7  -5.474 -19.204 -19.204
   49   1HB   ASP   7          2HB       ASP   7  -6.943 -21.025 -21.025
   50   2HB   ASP   7          1HB       ASP   7  -6.888 -19.933 -19.933
   51    H    SER   8           H        SER   8  -6.429 -16.731 -16.731
   52    HA   SER   8           HA       SER   8  -6.403 -15.226 -15.226
   53   1HB   SER   8          2HB       SER   8  -7.460 -14.321 -14.321
   54   2HB   SER   8          1HB       SER   8  -5.879 -14.267 -14.267
   55    HG   SER   8           HG       SER   8  -6.962 -12.524 -12.524
   56    H    GLY   9           H        GLY   9  -3.978 -16.142 -16.142
   57   1HA   GLY   9          2HA       GLY   9  -1.640 -16.378 -16.378
   58   2HA   GLY   9          1HA       GLY   9  -1.790 -15.478 -15.478
   59    H    TYR  10           H        TYR  10  -2.861 -13.182 -13.182
   60    HA   TYR  10           HA       TYR  10  -1.992 -11.898 -11.898
   61   1HB   TYR  10          2HB       TYR  10   0.075 -12.231 -12.231
   62   2HB   TYR  10          1HB       TYR  10  -0.450 -10.584 -10.584
   63    HD1  TYR  10           HD1      TYR  10  -1.170 -10.240 -10.240
   64    HD2  TYR  10           HD2      TYR  10   2.257 -11.529 -11.529
   65    HE1  TYR  10           HE1      TYR  10   0.259  -9.541  -9.541
   66    HE2  TYR  10           HE2      TYR  10   3.685 -10.822 -10.822
   67    HH   TYR  10           HH       TYR  10   3.137  -8.824  -8.824
   68    H    GLU  11           H        GLU  11  -2.304  -9.557  -9.557
   69    HA   GLU  11           HA       GLU  11  -3.617  -8.219  -8.219
   70   1HB   GLU  11          2HB       GLU  11  -5.567  -9.648  -9.648
   71   2HB   GLU  11          1HB       GLU  11  -5.375  -9.367  -9.367
   72   1HG   GLU  11          2HG       GLU  11  -7.227  -8.002  -8.002
   73   2HG   GLU  11          1HG       GLU  11  -5.940  -6.947  -6.947
   74    H    VAL  12           H        VAL  12  -2.506  -6.502  -6.502
   75    HA   VAL  12           HA       VAL  12  -1.972  -5.456  -5.456
   76    HB   VAL  12           HB       VAL  12  -1.384  -4.552  -4.552
   77   1HG1  VAL  12          2HG1      VAL  12  -0.440  -3.288  -3.288
   78   2HG1  VAL  12          1HG1      VAL  12   0.191  -2.838  -2.838
   79   3HG1  VAL  12          3HG1      VAL  12  -1.481  -2.515  -2.515
   80   1HG2  VAL  12          3HG2      VAL  12  -0.136  -6.544  -6.544
   81   2HG2  VAL  12          2HG2      VAL  12   0.967  -5.192  -5.192
   82   3HG2  VAL  12          1HG2      VAL  12   0.412  -5.695  -5.695
   83    H    HIS  13           H        HIS  13  -3.773  -4.623  -4.623
   84    HA   HIS  13           HA       HIS  13  -5.519  -3.183  -3.183
   85   1HB   HIS  13          2HB       HIS  13  -6.185  -4.713  -4.713
   86   2HB   HIS  13          1HB       HIS  13  -6.648  -3.089  -3.089
   87    HD1  HIS  13           HD1      HIS  13  -7.025  -4.963  -4.963
   88    HD2  HIS  13           HD2      HIS  13  -9.285  -2.785  -2.785
   89    HE1  HIS  13           HE1      HIS  13  -9.289  -4.862  -4.862
   90    H    HIS  14           H        HIS  14  -3.037  -2.023  -2.023
   91    HA   HIS  14           HA       HIS  14  -3.962   0.690   0.690
   92   1HB   HIS  14          2HB       HIS  14  -3.643  -0.440  -0.440
   93   2HB   HIS  14          1HB       HIS  14  -1.926  -0.422  -0.422
   94    HD1  HIS  14           HD1      HIS  14  -2.369   1.259   1.259
   95    HD2  HIS  14           HD2      HIS  14  -3.189   2.819   2.819
   96    HE1  HIS  14           HE1      HIS  14  -2.362   3.710   3.710
   97    H    GLN  15           H        GLN  15  -2.987   1.643   1.643
   98    HA   GLN  15           HA       GLN  15  -0.350   0.823   0.823
   99   1HB   GLN  15          2HB       GLN  15  -2.296   3.010   3.010
  100   2HB   GLN  15          1HB       GLN  15  -0.823   2.602   2.602
  101   1HG   GLN  15          2HG       GLN  15  -1.639   0.278   0.278
  102   2HG   GLN  15          1HG       GLN  15  -3.109   0.649   0.649
  103   1HE2  GLN  15          2HE2      GLN  15  -4.517   2.637   2.637
  104   2HE2  GLN  15          1HE2      GLN  15  -4.502   2.437   2.437
  105    H    PHE  16           H        PHE  16   0.007   1.526   1.526
  106    HA   PHE  16           HA       PHE  16   1.554   4.062   4.062
  107   1HB   PHE  16          2HB       PHE  16  -0.465   4.519   4.519
  108   2HB   PHE  16          1HB       PHE  16  -0.267   2.990   2.990
  109    HD1  PHE  16           HD2      PHE  16   1.246   6.352   6.352
  110    HD2  PHE  16           HD1      PHE  16   1.257   2.788   2.788
  111    HE1  PHE  16           HE2      PHE  16   2.684   7.442   7.442
  112    HE2  PHE  16           HE1      PHE  16   2.694   3.883   3.883
  113    HZ   PHE  16           HZ       PHE  16   3.411   6.211   6.211
  114    H    LEU  17           H        LEU  17   0.809   1.057   1.057
  115    HA   LEU  17           HA       LEU  17   3.403   0.680   0.680
  116   1HB   LEU  17          2HB       LEU  17   1.032  -1.167  -1.167
  117   2HB   LEU  17          1HB       LEU  17   2.511  -1.777  -1.777
  118    HG   LEU  17           HG       LEU  17   2.083   0.442   0.442
  119   1HD1  LEU  17          3HD1      LEU  17  -0.129   0.828   0.828
  120   2HD1  LEU  17          2HD1      LEU  17  -0.691  -0.698  -0.698
  121   3HD1  LEU  17          1HD1      LEU  17  -0.270   0.629   0.629
  122   1HD2  LEU  17          2HD2      LEU  17   0.934  -2.353  -2.353
  123   2HD2  LEU  17          1HD2      LEU  17   2.565  -1.838  -1.838
  124   3HD2  LEU  17          3HD2      LEU  17   1.197  -1.164  -1.164
  125    H    VAL  18           H        VAL  18   1.679  -0.518  -0.518
  126    HA   VAL  18           HA       VAL  18   3.866  -2.029  -2.029
  127    HB   VAL  18           HB       VAL  18   1.181  -1.047  -1.047
  128   1HG1  VAL  18          3HG1      VAL  18   3.369  -1.937  -1.937
  129   2HG1  VAL  18          2HG1      VAL  18   1.665  -2.135  -2.135
  130   3HG1  VAL  18          1HG1      VAL  18   2.316  -0.530  -0.530
  131   1HG2  VAL  18          2HG2      VAL  18   1.856  -3.265  -3.265
  132   2HG2  VAL  18          1HG2      VAL  18   0.775  -3.399  -3.399
  133   3HG2  VAL  18          3HG2      VAL  18   2.492  -3.762  -3.762
  134    H    PHE  19           H        PHE  19   2.754   1.237   1.237
  135    HA   PHE  19           HA       PHE  19   4.435   2.119   2.119
  136   1HB   PHE  19          2HB       PHE  19   2.565   3.413   3.413
  137   2HB   PHE  19          1HB       PHE  19   3.873   3.902   3.902
  138    HD1  PHE  19           HD2      PHE  19   5.861   5.143   5.143
  139    HD2  PHE  19           HD1      PHE  19   2.323   4.392   4.392
  140    HE1  PHE  19           HE2      PHE  19   6.522   6.867   6.867
  141    HE2  PHE  19           HE1      PHE  19   2.991   6.120   6.120
  142    HZ   PHE  19           HZ       PHE  19   5.090   7.360   7.360
  143    H    PHE  20           H        PHE  20   5.021   1.797   1.797
  144    HA   PHE  20           HA       PHE  20   7.655   2.884   2.884
  145   1HB   PHE  20          2HB       PHE  20   5.899   2.479   2.479
  146   2HB   PHE  20          1HB       PHE  20   6.513   0.840   0.840
  147    HD1  PHE  20           HD1      PHE  20   7.913   4.338   4.338
  148    HD2  PHE  20           HD2      PHE  20   8.189   0.413   0.413
  149    HE1  PHE  20           HE1      PHE  20   9.767   5.063   5.063
  150    HE2  PHE  20           HE2      PHE  20  10.040   1.147   1.147
  151    HZ   PHE  20           HZ       PHE  20  10.834   3.471   3.471
  152    H    ALA  21           H        ALA  21   6.360  -0.385  -0.385
  153    HA   ALA  21           HA       ALA  21   8.710  -1.849  -1.849
  154   1HB   ALA  21          3HB       ALA  21   6.310  -2.659  -2.659
  155   2HB   ALA  21          2HB       ALA  21   6.218  -2.506  -2.506
  156   3HB   ALA  21          1HB       ALA  21   7.338  -3.658  -3.658
  157    H    GLU  22           H        GLU  22   7.006  -0.731  -0.731
  158    HA   GLU  22           HA       GLU  22   8.727  -1.743  -1.743
  159   1HB   GLU  22          2HB       GLU  22   6.954   0.712   0.712
  160   2HB   GLU  22          1HB       GLU  22   7.640  -0.047  -0.047
  161   1HG   GLU  22          2HG       GLU  22   6.402  -2.058  -2.058
  162   2HG   GLU  22          1HG       GLU  22   5.908  -1.633  -1.633
  163    H    ASP  23           H        ASP  23   8.858   1.216   1.216
  164    HA   ASP  23           HA       ASP  23  11.002   2.379   2.379
  165   1HB   ASP  23          2HB       ASP  23   9.420   3.914   3.914
  166   2HB   ASP  23          1HB       ASP  23   9.495   3.212   3.212
  167    H    VAL  24           H        VAL  24  10.741   1.341   1.341
  168    HA   VAL  24           HA       VAL  24  13.470   1.647   1.647
  169    HB   VAL  24           HB       VAL  24  11.500  -0.179  -0.179
  170   1HG1  VAL  24          3HG1      VAL  24  13.733   1.565   1.565
  171   2HG1  VAL  24          2HG1      VAL  24  12.654   0.586   0.586
  172   3HG1  VAL  24          1HG1      VAL  24  13.754  -0.186  -0.186
  173   1HG2  VAL  24          1HG2      VAL  24  10.801   2.511   2.511
  174   2HG2  VAL  24          3HG2      VAL  24  10.119   1.473   1.473
  175   3HG2  VAL  24          2HG2      VAL  24  11.420   2.563   2.563
  176    H    GLY  25           H        GLY  25  11.533  -1.200  -1.200
  177   1HA   GLY  25          2HA       GLY  25  14.002  -2.864  -2.864
  178   2HA   GLY  25          1HA       GLY  25  12.373  -3.477  -3.477
  179    H    SER  26           H        SER  26  14.338  -4.165  -4.165
  180    HA   SER  26           HA       SER  26  13.261  -3.178  -3.178
  181   1HB   SER  26          2HB       SER  26  15.486  -5.185  -5.185
  182   2HB   SER  26          1HB       SER  26  15.112  -4.575  -4.575
  183    HG   SER  26           HG       SER  26  16.142  -2.842  -2.842
  184    H    ASN  27           H        ASN  27  11.523  -4.662  -4.662
  185    HA   ASN  27           HA       ASN  27  11.143  -7.372  -7.372
  186   1HB   ASN  27          2HB       ASN  27   8.798  -7.022  -7.022
  187   2HB   ASN  27          1HB       ASN  27   9.995  -6.337  -6.337
  188   1HD2  ASN  27          2HD2      ASN  27   7.124  -3.930  -3.930
  189   2HD2  ASN  27          1HD2      ASN  27   7.034  -5.616  -5.616
  190    H    LYS  28           H        LYS  28  10.088  -4.434  -4.434
  191    HA   LYS  28           HA       LYS  28   9.650  -5.683  -5.683
  192   1HB   LYS  28          2HB       LYS  28   7.252  -5.107  -5.107
  193   2HB   LYS  28          1HB       LYS  28   7.492  -6.190  -6.190
  194   1HG   LYS  28          2HG       LYS  28   7.738  -3.903  -3.903
  195   2HG   LYS  28          1HG       LYS  28   6.882  -3.230  -3.230
  196   1HD   LYS  28          2HD       LYS  28   5.795  -5.725  -5.725
  197   2HD   LYS  28          1HD       LYS  28   5.591  -4.185  -4.185
  198   1HE   LYS  28          2HE       LYS  28   4.812  -3.601  -3.601
  199   2HE   LYS  28          1HE       LYS  28   4.207  -5.228  -5.228
  200   1HZ   LYS  28          3HZ       LYS  28   3.668  -3.732  -3.732
  201   2HZ   LYS  28          2HZ       LYS  28   3.177  -2.824  -2.824
  202   3HZ   LYS  28          1HZ       LYS  28   2.574  -4.394  -4.394

  Start of MODEL    2
    1   1H    ASP   1          2H        ASP   1 -21.156 -10.273 -10.273
    2   2H    ASP   1          1H        ASP   1 -21.185  -9.037  -9.037
    3   3H    ASP   1          3H        ASP   1 -22.491 -10.115 -10.115
    4    HA   ASP   1           HA       ASP   1 -23.487  -8.815  -8.815
    5   1HB   ASP   1          2HB       ASP   1 -22.427  -6.941  -6.941
    6   2HB   ASP   1          1HB       ASP   1 -20.956  -7.121  -7.121
    7    H    ALA   2           H        ALA   2 -20.270  -8.123  -8.123
    8    HA   ALA   2           HA       ALA   2 -20.313 -10.006 -10.006
    9   1HB   ALA   2          2HB       ALA   2 -21.312  -7.198  -7.198
   10   2HB   ALA   2          1HB       ALA   2 -20.331  -7.935  -7.935
   11   3HB   ALA   2          3HB       ALA   2 -21.830  -8.695  -8.695
   12    H    GLU   3           H        GLU   3 -18.374 -10.161 -10.161
   13    HA   GLU   3           HA       GLU   3 -16.157  -8.536  -8.536
   14   1HB   GLU   3          2HB       GLU   3 -14.710 -10.389 -10.389
   15   2HB   GLU   3          1HB       GLU   3 -16.001 -11.006 -11.006
   16   1HG   GLU   3          2HG       GLU   3 -17.324 -11.490 -11.490
   17   2HG   GLU   3          1HG       GLU   3 -15.866 -11.093 -11.093
   18    H    PHE   4           H        PHE   4 -17.939  -7.495  -7.495
   19    HA   PHE   4           HA       PHE   4 -16.009  -6.494  -6.494
   20   1HB   PHE   4          2HB       PHE   4 -17.869  -6.966  -6.966
   21   2HB   PHE   4          1HB       PHE   4 -16.815  -8.282  -8.282
   22    HD1  PHE   4           HD1      PHE   4 -17.640 -10.088 -10.088
   23    HD2  PHE   4           HD2      PHE   4 -20.264  -7.021  -7.021
   24    HE1  PHE   4           HE1      PHE   4 -19.570 -11.447 -11.447
   25    HE2  PHE   4           HE2      PHE   4 -22.191  -8.383  -8.383
   26    HZ   PHE   4           HZ       PHE   4 -21.852 -10.598 -10.598
   27    H    ARG   5           H        ARG   5 -16.608  -5.022  -5.022
   28    HA   ARG   5           HA       ARG   5 -18.248  -2.887  -2.887
   29   1HB   ARG   5          2HB       ARG   5 -19.753  -2.825  -2.825
   30   2HB   ARG   5          1HB       ARG   5 -20.088  -4.146  -4.146
   31   1HG   ARG   5          2HG       ARG   5 -19.803  -5.587  -5.587
   32   2HG   ARG   5          1HG       ARG   5 -18.100  -5.204  -5.204
   33   1HD   ARG   5          2HD       ARG   5 -18.435  -3.432  -3.432
   34   2HD   ARG   5          1HD       ARG   5 -20.186  -3.646  -3.646
   35    HE   ARG   5           HE       ARG   5 -19.232  -6.169  -6.169
   36   1HH1  ARG   5          1HH2      ARG   5 -18.857  -3.013  -3.013
   37   2HH1  ARG   5          2HH2      ARG   5 -18.651  -3.601  -3.601
   38   1HH2  ARG   5          2HH1      ARG   5 -18.968  -6.947  -6.947
   39   2HH2  ARG   5          1HH1      ARG   5 -18.712  -5.873  -5.873
   40    H    HIS   6           H        HIS   6 -15.566  -3.411  -3.411
   41    HA   HIS   6           HA       HIS   6 -13.751  -2.520  -2.520
   42   1HB   HIS   6          2HB       HIS   6 -14.662  -0.481  -0.481
   43   2HB   HIS   6          1HB       HIS   6 -15.687  -0.151  -0.151
   44    HD1  HIS   6           HD1      HIS   6 -11.987  -0.877  -0.877
   45    HD2  HIS   6           HD2      HIS   6 -14.521   1.849   1.849
   46    HE1  HIS   6           HE1      HIS   6 -10.572   0.700   0.700
   47    H    ASP   7           H        ASP   7 -16.049  -3.822  -3.822
   48    HA   ASP   7           HA       ASP   7 -16.606  -4.283  -4.283
   49   1HB   ASP   7          2HB       ASP   7 -13.766  -3.327  -3.327
   50   2HB   ASP   7          1HB       ASP   7 -14.695  -4.522  -4.522
   51    H    SER   8           H        SER   8 -17.201  -1.678  -1.678
   52    HA   SER   8           HA       SER   8 -18.026   0.361   0.361
   53   1HB   SER   8          2HB       SER   8 -18.229  -1.188  -1.188
   54   2HB   SER   8          1HB       SER   8 -18.984   0.386   0.386
   55    HG   SER   8           HG       SER   8 -19.425  -1.221  -1.221
   56    H    GLY   9           H        GLY   9 -15.058  -0.300  -0.300
   57   1HA   GLY   9          2HA       GLY   9 -13.216   1.062   1.062
   58   2HA   GLY   9          1HA       GLY   9 -14.314   2.306   2.306
   59    H    TYR  10           H        TYR  10 -12.519  -0.547  -0.547
   60    HA   TYR  10           HA       TYR  10 -13.323  -0.852  -0.852
   61   1HB   TYR  10          2HB       TYR  10 -11.649  -2.516  -2.516
   62   2HB   TYR  10          1HB       TYR  10 -12.024  -2.483  -2.483
   63    HD1  TYR  10           HD1      TYR  10 -10.536  -0.329  -0.329
   64    HD2  TYR  10           HD2      TYR  10  -9.374  -2.834  -2.834
   65    HE1  TYR  10           HE1      TYR  10  -8.186   0.116   0.116
   66    HE2  TYR  10           HE2      TYR  10  -7.025  -2.385  -2.385
   67    HH   TYR  10           HH       TYR  10  -5.804  -0.206  -0.206
   68    H    GLU  11           H        GLU  11 -11.241  -0.825  -0.825
   69    HA   GLU  11           HA       GLU  11  -9.485   1.416   1.416
   70   1HB   GLU  11          2HB       GLU  11 -11.469   2.857   2.857
   71   2HB   GLU  11          1HB       GLU  11 -12.142   1.780   1.780
   72   1HG   GLU  11          2HG       GLU  11 -10.381   2.388   2.388
   73   2HG   GLU  11          1HG       GLU  11  -9.509   3.288   3.288
   74    H    VAL  12           H        VAL  12  -7.961   0.515   0.515
   75    HA   VAL  12           HA       VAL  12  -8.220  -1.572  -1.572
   76    HB   VAL  12           HB       VAL  12  -5.929   0.142   0.142
   77   1HG1  VAL  12          3HG1      VAL  12  -6.013  -2.508  -2.508
   78   2HG1  VAL  12          2HG1      VAL  12  -4.533  -1.871  -1.871
   79   3HG1  VAL  12          1HG1      VAL  12  -5.344  -0.990  -0.990
   80   1HG2  VAL  12          3HG2      VAL  12  -7.022  -2.495  -2.495
   81   2HG2  VAL  12          2HG2      VAL  12  -6.761  -1.003  -1.003
   82   3HG2  VAL  12          1HG2      VAL  12  -5.388  -1.969  -1.969
   83    H    HIS  13           H        HIS  13  -7.695   1.819   1.819
   84    HA   HIS  13           HA       HIS  13  -7.863   3.492   3.492
   85   1HB   HIS  13          2HB       HIS  13  -9.749   1.647   1.647
   86   2HB   HIS  13          1HB       HIS  13  -8.773   1.776   1.776
   87    HD1  HIS  13           HD1      HIS  13 -11.278   3.574   3.574
   88    HD2  HIS  13           HD2      HIS  13  -8.512   4.562   4.562
   89    HE1  HIS  13           HE1      HIS  13 -11.945   5.780   5.780
   90    H    HIS  14           H        HIS  14  -5.985   0.723   0.723
   91    HA   HIS  14           HA       HIS  14  -4.119   2.383   2.383
   92   1HB   HIS  14          2HB       HIS  14  -5.268  -0.246  -0.246
   93   2HB   HIS  14          1HB       HIS  14  -3.962   0.657   0.657
   94    HD1  HIS  14           HD1      HIS  14  -7.608   0.703   0.703
   95    HD2  HIS  14           HD2      HIS  14  -4.770   3.147   3.147
   96    HE1  HIS  14           HE1      HIS  14  -8.819   2.367   2.367
   97    H    GLN  15           H        GLN  15  -2.727   2.222   2.222
   98    HA   GLN  15           HA       GLN  15  -1.372  -0.389  -0.389
   99   1HB   GLN  15          2HB       GLN  15  -1.286  -0.031  -0.031
  100   2HB   GLN  15          1HB       GLN  15  -2.946  -0.067  -0.067
  101   1HG   GLN  15          2HG       GLN  15  -2.904   1.813   1.813
  102   2HG   GLN  15          1HG       GLN  15  -2.794   2.543   2.543
  103   1HE2  GLN  15          2HE2      GLN  15   0.637   2.414   2.414
  104   2HE2  GLN  15          1HE2      GLN  15  -0.496   1.158   1.158
  105    H    PHE  16           H        PHE  16  -1.057   2.398   2.398
  106    HA   PHE  16           HA       PHE  16   1.252   3.590   3.590
  107   1HB   PHE  16          2HB       PHE  16   1.533   4.782   4.782
  108   2HB   PHE  16          1HB       PHE  16  -0.117   4.851   4.851
  109    HD1  PHE  16           HD1      PHE  16  -1.884   3.374   3.374
  110    HD2  PHE  16           HD2      PHE  16   2.056   3.634   3.634
  111    HE1  PHE  16           HE1      PHE  16  -2.671   2.380   2.380
  112    HE2  PHE  16           HE2      PHE  16   1.258   2.641   2.641
  113    HZ   PHE  16           HZ       PHE  16  -1.105   2.012   2.012
  114    H    LEU  17           H        LEU  17   0.837   0.890   0.890
  115    HA   LEU  17           HA       LEU  17   3.457   0.653   0.653
  116   1HB   LEU  17          2HB       LEU  17   1.529  -1.615  -1.615
  117   2HB   LEU  17          1HB       LEU  17   2.789  -1.645  -1.645
  118    HG   LEU  17           HG       LEU  17   1.267   0.568   0.568
  119   1HD1  LEU  17          1HD1      LEU  17  -0.625  -1.581  -1.581
  120   2HD1  LEU  17          3HD1      LEU  17  -1.111  -0.289  -0.289
  121   3HD1  LEU  17          2HD1      LEU  17  -0.554   0.089   0.089
  122   1HD2  LEU  17          3HD2      LEU  17   0.939  -2.322  -2.322
  123   2HD2  LEU  17          2HD2      LEU  17   2.151  -1.195  -1.195
  124   3HD2  LEU  17          1HD2      LEU  17   0.452  -0.904  -0.904
  125    H    VAL  18           H        VAL  18   1.795  -0.572  -0.572
  126    HA   VAL  18           HA       VAL  18   4.006  -2.011  -2.011
  127    HB   VAL  18           HB       VAL  18   1.349  -1.002  -1.002
  128   1HG1  VAL  18          2HG1      VAL  18   3.003  -1.300  -1.300
  129   2HG1  VAL  18          1HG1      VAL  18   3.251  -2.960  -2.960
  130   3HG1  VAL  18          3HG1      VAL  18   1.679  -2.447  -2.447
  131   1HG2  VAL  18          1HG2      VAL  18   2.404  -3.712  -3.712
  132   2HG2  VAL  18          3HG2      VAL  18   1.248  -2.718  -2.718
  133   3HG2  VAL  18          2HG2      VAL  18   0.799  -3.441  -3.441
  134    H    PHE  19           H        PHE  19   2.558   1.093   1.093
  135    HA   PHE  19           HA       PHE  19   4.142   2.056   2.056
  136   1HB   PHE  19          2HB       PHE  19   2.111   3.153   3.153
  137   2HB   PHE  19          1HB       PHE  19   3.341   3.856   3.856
  138    HD1  PHE  19           HD2      PHE  19   4.944   5.507   5.507
  139    HD2  PHE  19           HD1      PHE  19   1.919   3.818   3.818
  140    HE1  PHE  19           HE2      PHE  19   5.348   7.246   7.246
  141    HE2  PHE  19           HE1      PHE  19   2.328   5.560   5.560
  142    HZ   PHE  19           HZ       PHE  19   4.042   7.277   7.277
  143    H    PHE  20           H        PHE  20   4.895   1.675   1.675
  144    HA   PHE  20           HA       PHE  20   7.408   3.143   3.143
  145   1HB   PHE  20          2HB       PHE  20   5.969   3.095   3.095
  146   2HB   PHE  20          1HB       PHE  20   6.196   1.363   1.363
  147    HD1  PHE  20           HD2      PHE  20   8.513   4.295   4.295
  148    HD2  PHE  20           HD1      PHE  20   7.672   0.783   0.783
  149    HE1  PHE  20           HE2      PHE  20  10.541   4.655   4.655
  150    HE2  PHE  20           HE1      PHE  20   9.703   1.156   1.156
  151    HZ   PHE  20           HZ       PHE  20  11.145   3.091   3.091
  152    H    ALA  21           H        ALA  21   6.343  -0.201  -0.201
  153    HA   ALA  21           HA       ALA  21   8.750  -1.542  -1.542
  154   1HB   ALA  21          2HB       ALA  21   6.492  -2.596  -2.596
  155   2HB   ALA  21          1HB       ALA  21   6.361  -2.453  -2.453
  156   3HB   ALA  21          3HB       ALA  21   7.600  -3.480  -3.480
  157    H    GLU  22           H        GLU  22   7.109  -0.636  -0.636
  158    HA   GLU  22           HA       GLU  22   8.929  -1.740  -1.740
  159   1HB   GLU  22          2HB       GLU  22   6.827   0.396   0.396
  160   2HB   GLU  22          1HB       GLU  22   7.975   0.436   0.436
  161   1HG   GLU  22          2HG       GLU  22   5.835  -0.985  -0.985
  162   2HG   GLU  22          1HG       GLU  22   7.363  -1.724  -1.724
  163    H    ASP  23           H        ASP  23   8.999   1.304   1.304
  164    HA   ASP  23           HA       ASP  23  11.288   2.351   2.351
  165   1HB   ASP  23          2HB       ASP  23  10.405   4.255   4.255
  166   2HB   ASP  23          1HB       ASP  23   9.294   3.315   3.315
  167    H    VAL  24           H        VAL  24  10.740   0.983   0.983
  168    HA   VAL  24           HA       VAL  24  13.300   1.068   1.068
  169    HB   VAL  24           HB       VAL  24  11.417  -1.244  -1.244
  170   1HG1  VAL  24          1HG1      VAL  24  13.582  -1.395  -1.395
  171   2HG1  VAL  24          3HG1      VAL  24  13.288   0.174   0.174
  172   3HG1  VAL  24          2HG1      VAL  24  12.269  -1.196  -1.196
  173   1HG2  VAL  24          1HG2      VAL  24  10.715   1.524   1.524
  174   2HG2  VAL  24          3HG2      VAL  24   9.779   0.091   0.091
  175   3HG2  VAL  24          2HG2      VAL  24  10.889   0.735   0.735
  176    H    GLY  25           H        GLY  25  11.798  -1.557  -1.557
  177   1HA   GLY  25          2HA       GLY  25  13.994  -2.273  -2.273
  178   2HA   GLY  25          1HA       GLY  25  14.060  -3.282  -3.282
  179    H    SER  26           H        SER  26  11.998  -2.272  -2.272
  180    HA   SER  26           HA       SER  26   9.734  -3.818  -3.818
  181   1HB   SER  26          2HB       SER  26  10.167  -2.195  -2.195
  182   2HB   SER  26          1HB       SER  26  11.220  -3.405  -3.405
  183    HG   SER  26           HG       SER  26   8.528  -3.289  -3.289
  184    H    ASN  27           H        ASN  27  12.841  -4.888  -4.888
  185    HA   ASN  27           HA       ASN  27  12.002  -7.739  -7.739
  186   1HB   ASN  27          2HB       ASN  27  13.711  -6.594  -6.594
  187   2HB   ASN  27          1HB       ASN  27  13.269  -8.286  -8.286
  188   1HD2  ASN  27          2HD2      ASN  27   9.916  -7.817  -7.817
  189   2HD2  ASN  27          1HD2      ASN  27  10.932  -8.829  -8.829
  190    H    LYS  28           H        LYS  28  14.346  -5.256  -5.256
  191    HA   LYS  28           HA       LYS  28  15.961  -6.786  -6.786
  192   1HB   LYS  28          2HB       LYS  28  18.031  -5.780  -5.780
  193   2HB   LYS  28          1HB       LYS  28  17.529  -7.446  -7.446
  194   1HG   LYS  28          2HG       LYS  28  17.659  -6.827  -6.827
  195   2HG   LYS  28          1HG       LYS  28  15.972  -7.068  -7.068
  196   1HD   LYS  28          2HD       LYS  28  15.556  -4.672  -4.672
  197   2HD   LYS  28          1HD       LYS  28  17.273  -4.307  -4.307
  198   1HE   LYS  28          2HE       LYS  28  15.936  -5.754  -5.754
  199   2HE   LYS  28          1HE       LYS  28  16.123  -4.008  -4.008
  200   1HZ   LYS  28          1HZ       LYS  28  18.583  -5.167  -5.167
  201   2HZ   LYS  28          3HZ       LYS  28  17.993  -5.921  -5.921
  202   3HZ   LYS  28          2HZ       LYS  28  18.168  -4.233  -4.233

  Start of MODEL    3
    1   1H    ASP   1          2H        ASP   1 -18.905  -1.084  -1.084
    2   2H    ASP   1          1H        ASP   1 -17.921  -1.596  -1.596
    3   3H    ASP   1          3H        ASP   1 -18.803  -0.152  -0.152
    4    HA   ASP   1           HA       ASP   1 -17.147   0.999   0.999
    5   1HB   ASP   1          2HB       ASP   1 -15.753  -1.695  -1.695
    6   2HB   ASP   1          1HB       ASP   1 -14.964  -0.127  -0.127
    7    H    ALA   2           H        ALA   2 -16.150   1.706   1.706
    8    HA   ALA   2           HA       ALA   2 -16.702   0.225   0.225
    9   1HB   ALA   2          2HB       ALA   2 -18.020   2.905   2.905
   10   2HB   ALA   2          1HB       ALA   2 -17.926   2.199   2.199
   11   3HB   ALA   2          3HB       ALA   2 -18.832   1.382   1.382
   12    H    GLU   3           H        GLU   3 -15.632   0.818   0.818
   13    HA   GLU   3           HA       GLU   3 -14.029   3.184   3.184
   14   1HB   GLU   3          2HB       GLU   3 -11.822   1.709   1.709
   15   2HB   GLU   3          1HB       GLU   3 -12.375   2.241   2.241
   16   1HG   GLU   3          2HG       GLU   3 -11.697  -0.186  -0.186
   17   2HG   GLU   3          1HG       GLU   3 -13.343   0.048   0.048
   18    H    PHE   4           H        PHE   4 -16.034   1.484   1.484
   19    HA   PHE   4           HA       PHE   4 -14.900   0.186   0.186
   20   1HB   PHE   4          2HB       PHE   4 -17.829   0.785   0.785
   21   2HB   PHE   4          1HB       PHE   4 -17.229  -0.391  -0.391
   22    HD1  PHE   4           HD1      PHE   4 -15.988  -2.431  -2.431
   23    HD2  PHE   4           HD2      PHE   4 -17.964   0.247   0.247
   24    HE1  PHE   4           HE1      PHE   4 -15.931  -4.136  -4.136
   25    HE2  PHE   4           HE2      PHE   4 -17.906  -1.461  -1.461
   26    HZ   PHE   4           HZ       PHE   4 -16.890  -3.654  -3.654
   27    H    ARG   5           H        ARG   5 -14.328   2.953   2.953
   28    HA   ARG   5           HA       ARG   5 -15.938   4.436   4.436
   29   1HB   ARG   5          2HB       ARG   5 -14.671   5.535   5.535
   30   2HB   ARG   5          1HB       ARG   5 -13.161   4.983   4.983
   31   1HG   ARG   5          2HG       ARG   5 -13.933   6.307   6.307
   32   2HG   ARG   5          1HG       ARG   5 -15.097   7.062   7.062
   33   1HD   ARG   5          2HD       ARG   5 -13.510   8.422   8.422
   34   2HD   ARG   5          1HD       ARG   5 -12.390   7.095   7.095
   35    HE   ARG   5           HE       ARG   5 -12.321   7.520   7.520
   36   1HH1  ARG   5          2HH1      ARG   5 -11.800   9.401   9.401
   37   2HH1  ARG   5          1HH1      ARG   5 -10.646  10.445  10.445
   38   1HH2  ARG   5          1HH2      ARG   5 -10.862   8.822   8.822
   39   2HH2  ARG   5          2HH2      ARG   5 -10.100  10.107  10.107
   40    H    HIS   6           H        HIS   6 -15.826   2.726   2.726
   41    HA   HIS   6           HA       HIS   6 -15.060   1.730   1.730
   42   1HB   HIS   6          2HB       HIS   6 -15.107   4.283   4.283
   43   2HB   HIS   6          1HB       HIS   6 -13.357   4.236   4.236
   44    HD1  HIS   6           HD1      HIS   6 -15.894   2.192   2.192
   45    HD2  HIS   6           HD2      HIS   6 -12.185   3.814   3.814
   46    HE1  HIS   6           HE1      HIS   6 -15.215   1.641   1.641
   47    H    ASP   7           H        ASP   7 -13.200   1.714   1.714
   48    HA   ASP   7           HA       ASP   7 -11.260   0.703   0.703
   49   1HB   ASP   7          2HB       ASP   7 -12.289  -1.015  -1.015
   50   2HB   ASP   7          1HB       ASP   7 -10.885  -0.541  -0.541
   51    H    SER   8           H        SER   8 -11.292   3.260   3.260
   52    HA   SER   8           HA       SER   8  -8.982   3.606   3.606
   53   1HB   SER   8          2HB       SER   8  -9.369   6.098   6.098
   54   2HB   SER   8          1HB       SER   8 -10.825   5.279   5.279
   55    HG   SER   8           HG       SER   8 -10.607   4.861   4.861
   56    H    GLY   9           H        GLY   9  -9.644   3.624   3.624
   57   1HA   GLY   9          2HA       GLY   9  -7.001   3.110   3.110
   58   2HA   GLY   9          1HA       GLY   9  -7.303   4.845   4.845
   59    H    TYR  10           H        TYR  10  -8.228   1.650   1.650
   60    HA   TYR  10           HA       TYR  10 -10.349   2.446   2.446
   61   1HB   TYR  10          2HB       TYR  10 -10.287   0.123   0.123
   62   2HB   TYR  10          1HB       TYR  10 -10.024   0.104   0.104
   63    HD1  TYR  10           HD2      TYR  10  -7.674  -0.235  -0.235
   64    HD2  TYR  10           HD1      TYR  10  -8.592  -0.626  -0.626
   65    HE1  TYR  10           HE2      TYR  10  -5.567  -1.423  -1.423
   66    HE2  TYR  10           HE1      TYR  10  -6.483  -1.808  -1.808
   67    HH   TYR  10           HH       TYR  10  -4.502  -2.351  -2.351
   68    H    GLU  11           H        GLU  11  -9.764   1.172   1.172
   69    HA   GLU  11           HA       GLU  11  -7.317   1.983   1.983
   70   1HB   GLU  11          2HB       GLU  11  -8.432   4.298   4.298
   71   2HB   GLU  11          1HB       GLU  11  -9.740   3.717   3.717
   72   1HG   GLU  11          2HG       GLU  11  -7.598   3.014   3.014
   73   2HG   GLU  11          1HG       GLU  11  -6.897   4.377   4.377
   74    H    VAL  12           H        VAL  12  -7.169   0.412   0.412
   75    HA   VAL  12           HA       VAL  12  -9.408  -1.092  -1.092
   76    HB   VAL  12           HB       VAL  12  -6.481  -1.099  -1.099
   77   1HG1  VAL  12          2HG1      VAL  12  -8.648  -2.932  -2.932
   78   2HG1  VAL  12          1HG1      VAL  12  -6.962  -3.431  -3.431
   79   3HG1  VAL  12          3HG1      VAL  12  -7.431  -2.049  -2.049
   80   1HG2  VAL  12          3HG2      VAL  12  -7.882  -1.942  -1.942
   81   2HG2  VAL  12          2HG2      VAL  12  -6.341  -2.623  -2.623
   82   3HG2  VAL  12          1HG2      VAL  12  -7.842  -3.428  -3.428
   83    H    HIS  13           H        HIS  13  -6.952   0.828   0.828
   84    HA   HIS  13           HA       HIS  13  -8.568   2.338   2.338
   85   1HB   HIS  13          2HB       HIS  13  -8.928   0.212   0.212
   86   2HB   HIS  13          1HB       HIS  13  -7.202  -0.114  -0.114
   87    HD1  HIS  13           HD1      HIS  13  -8.787   3.165   3.165
   88    HD2  HIS  13           HD2      HIS  13  -6.671   0.184   0.184
   89    HE1  HIS  13           HE1      HIS  13  -8.276   3.965   3.965
   90    H    HIS  14           H        HIS  14  -5.509   0.614   0.614
   91    HA   HIS  14           HA       HIS  14  -3.967   3.067   3.067
   92   1HB   HIS  14          2HB       HIS  14  -3.948   1.337   1.337
   93   2HB   HIS  14          1HB       HIS  14  -2.460   2.128   2.128
   94    HD1  HIS  14           HD1      HIS  14  -5.706   2.868   2.868
   95    HD2  HIS  14           HD2      HIS  14  -2.581   5.025   5.025
   96    HE1  HIS  14           HE1      HIS  14  -6.032   5.190   5.190
   97    H    GLN  15           H        GLN  15  -2.694   2.598   2.598
   98    HA   GLN  15           HA       GLN  15  -1.381  -0.082  -0.082
   99   1HB   GLN  15          2HB       GLN  15  -2.403   1.666   1.666
  100   2HB   GLN  15          1HB       GLN  15  -1.556   0.143   0.143
  101   1HG   GLN  15          2HG       GLN  15  -3.369  -1.098  -1.098
  102   2HG   GLN  15          1HG       GLN  15  -4.188   0.392   0.392
  103   1HE2  GLN  15          2HE2      GLN  15  -4.202  -0.628  -0.628
  104   2HE2  GLN  15          1HE2      GLN  15  -2.849  -1.033  -1.033
  105    H    PHE  16           H        PHE  16  -0.708   2.678   2.678
  106    HA   PHE  16           HA       PHE  16   1.473   3.630   3.630
  107   1HB   PHE  16          2HB       PHE  16   1.974   5.140   5.140
  108   2HB   PHE  16          1HB       PHE  16   0.227   4.989   4.989
  109    HD1  PHE  16           HD2      PHE  16  -0.943   3.627   3.627
  110    HD2  PHE  16           HD1      PHE  16   3.267   4.276   4.276
  111    HE1  PHE  16           HE2      PHE  16  -0.909   2.902   2.902
  112    HE2  PHE  16           HE1      PHE  16   3.293   3.550   3.550
  113    HZ   PHE  16           HZ       PHE  16   1.205   2.862   2.862
  114    H    LEU  17           H        LEU  17   1.123   1.145   1.145
  115    HA   LEU  17           HA       LEU  17   3.817   0.808   0.808
  116   1HB   LEU  17          2HB       LEU  17   1.698  -1.365  -1.365
  117   2HB   LEU  17          1HB       LEU  17   3.066  -1.404  -1.404
  118    HG   LEU  17           HG       LEU  17   1.757   0.968   0.968
  119   1HD1  LEU  17          2HD1      LEU  17  -0.362  -1.154  -1.154
  120   2HD1  LEU  17          1HD1      LEU  17  -0.634   0.353   0.353
  121   3HD1  LEU  17          3HD1      LEU  17  -0.216   0.377   0.377
  122   1HD2  LEU  17          1HD2      LEU  17   1.414  -1.827  -1.827
  123   2HD2  LEU  17          3HD2      LEU  17   2.696  -0.693  -0.693
  124   3HD2  LEU  17          2HD2      LEU  17   1.039  -0.332  -0.332
  125    H    VAL  18           H        VAL  18   1.836  -0.484  -0.484
  126    HA   VAL  18           HA       VAL  18   3.853  -2.122  -2.122
  127    HB   VAL  18           HB       VAL  18   1.106  -1.091  -1.091
  128   1HG1  VAL  18          3HG1      VAL  18   3.080  -2.456  -2.456
  129   2HG1  VAL  18          2HG1      VAL  18   1.352  -2.726  -2.726
  130   3HG1  VAL  18          1HG1      VAL  18   1.998  -1.106  -1.106
  131   1HG2  VAL  18          1HG2      VAL  18   1.420  -2.968  -2.968
  132   2HG2  VAL  18          3HG2      VAL  18   0.607  -3.509  -3.509
  133   3HG2  VAL  18          2HG2      VAL  18   2.317  -3.854  -3.854
  134    H    PHE  19           H        PHE  19   2.559   1.043   1.043
  135    HA   PHE  19           HA       PHE  19   4.081   1.752   1.752
  136   1HB   PHE  19          2HB       PHE  19   2.204   3.128   3.128
  137   2HB   PHE  19          1HB       PHE  19   3.355   3.652   3.652
  138    HD1  PHE  19           HD1      PHE  19   2.566   3.743   3.743
  139    HD2  PHE  19           HD2      PHE  19   5.100   5.258   5.258
  140    HE1  PHE  19           HE1      PHE  19   3.409   5.460   5.460
  141    HE2  PHE  19           HE2      PHE  19   5.939   6.973   6.973
  142    HZ   PHE  19           HZ       PHE  19   5.097   7.078   7.078
  143    H    PHE  20           H        PHE  20   4.932   1.612   1.612
  144    HA   PHE  20           HA       PHE  20   7.496   2.951   2.951
  145   1HB   PHE  20          2HB       PHE  20   5.907   1.649   1.649
  146   2HB   PHE  20          1HB       PHE  20   7.645   1.540   1.540
  147    HD1  PHE  20           HD2      PHE  20   5.412   4.248   4.248
  148    HD2  PHE  20           HD1      PHE  20   8.346   3.168   3.168
  149    HE1  PHE  20           HE2      PHE  20   5.457   6.556   6.556
  150    HE2  PHE  20           HE1      PHE  20   8.386   5.480   5.480
  151    HZ   PHE  20           HZ       PHE  20   6.944   7.180   7.180
  152    H    ALA  21           H        ALA  21   6.386  -0.361  -0.361
  153    HA   ALA  21           HA       ALA  21   8.885  -1.629  -1.629
  154   1HB   ALA  21          3HB       ALA  21   6.685  -2.662  -2.662
  155   2HB   ALA  21          2HB       ALA  21   6.241  -2.689  -2.689
  156   3HB   ALA  21          1HB       ALA  21   7.592  -3.663  -3.663
  157    H    GLU  22           H        GLU  22   7.518   0.100   0.100
  158    HA   GLU  22           HA       GLU  22   8.703  -1.492  -1.492
  159   1HB   GLU  22          2HB       GLU  22   6.874   0.911   0.911
  160   2HB   GLU  22          1HB       GLU  22   7.607   0.407   0.407
  161   1HG   GLU  22          2HG       GLU  22   6.517  -1.717  -1.717
  162   2HG   GLU  22          1HG       GLU  22   6.101  -1.590  -1.590
  163    H    ASP  23           H        ASP  23   9.839   0.849   0.849
  164    HA   ASP  23           HA       ASP  23  12.003   1.564   1.564
  165   1HB   ASP  23          2HB       ASP  23  11.777   3.958   3.958
  166   2HB   ASP  23          1HB       ASP  23  10.249   3.364   3.364
  167    H    VAL  24           H        VAL  24  10.728   1.374   1.374
  168    HA   VAL  24           HA       VAL  24  13.172   1.870   1.870
  169    HB   VAL  24           HB       VAL  24  10.647   0.510   0.510
  170   1HG1  VAL  24          2HG1      VAL  24  12.806   1.959   1.959
  171   2HG1  VAL  24          1HG1      VAL  24  11.307   1.361   1.361
  172   3HG1  VAL  24          3HG1      VAL  24  12.472   0.232   0.232
  173   1HG2  VAL  24          2HG2      VAL  24  11.266   3.489   3.489
  174   2HG2  VAL  24          1HG2      VAL  24  10.020   2.726   2.726
  175   3HG2  VAL  24          3HG2      VAL  24   9.887   2.721   2.721
  176    H    GLY  25           H        GLY  25  11.247  -0.772  -0.772
  177   1HA   GLY  25          2HA       GLY  25  12.096  -2.904  -2.904
  178   2HA   GLY  25          1HA       GLY  25  13.496  -2.701  -2.701
  179    H    SER  26           H        SER  26  12.043  -1.855  -1.855
  180    HA   SER  26           HA       SER  26  11.136  -2.725  -2.725
  181   1HB   SER  26          2HB       SER  26   9.268  -3.957  -3.957
  182   2HB   SER  26          1HB       SER  26   8.967  -4.086  -4.086
  183    HG   SER  26           HG       SER  26   8.341  -2.110  -2.110
  184    H    ASN  27           H        ASN  27  13.156  -4.387  -4.387
  185    HA   ASN  27           HA       ASN  27  12.746  -7.148  -7.148
  186   1HB   ASN  27          2HB       ASN  27  15.282  -5.591  -5.591
  187   2HB   ASN  27          1HB       ASN  27  15.227  -7.341  -7.341
  188   1HD2  ASN  27          2HD2      ASN  27  13.524  -5.549  -5.549
  189   2HD2  ASN  27          1HD2      ASN  27  13.924  -4.622  -4.622
  190    H    LYS  28           H        LYS  28  13.913  -4.430  -4.430
  191    HA   LYS  28           HA       LYS  28  14.317  -6.023  -6.023
  192   1HB   LYS  28          2HB       LYS  28  16.445  -4.872  -4.872
  193   2HB   LYS  28          1HB       LYS  28  16.561  -5.716  -5.716
  194   1HG   LYS  28          2HG       LYS  28  15.811  -3.387  -3.387
  195   2HG   LYS  28          1HG       LYS  28  16.314  -2.738  -2.738
  196   1HD   LYS  28          2HD       LYS  28  18.539  -4.094  -4.094
  197   2HD   LYS  28          1HD       LYS  28  17.989  -4.143  -4.143
  198   1HE   LYS  28          2HE       LYS  28  18.419  -1.608  -1.608
  199   2HE   LYS  28          1HE       LYS  28  19.470  -2.186  -2.186
  200   1HZ   LYS  28          2HZ       LYS  28  16.859  -2.078  -2.078
  201   2HZ   LYS  28          1HZ       LYS  28  17.190  -0.604  -0.604
  202   3HZ   LYS  28          3HZ       LYS  28  18.209  -1.159  -1.159

  Start of MODEL    4
    1   1H    ASP   1          2H        ASP   1 -19.190  14.005  14.005
    2   2H    ASP   1          1H        ASP   1 -19.796  14.990  14.990
    3   3H    ASP   1          3H        ASP   1 -18.415  15.470  15.470
    4    HA   ASP   1           HA       ASP   1 -17.111  14.450  14.450
    5   1HB   ASP   1          2HB       ASP   1 -18.055  13.634  13.634
    6   2HB   ASP   1          1HB       ASP   1 -19.059  14.976  14.976
    7    H    ALA   2           H        ALA   2 -16.973  12.104  12.104
    8    HA   ALA   2           HA       ALA   2 -16.850  10.158  10.158
    9   1HB   ALA   2          2HB       ALA   2 -15.842  10.007  10.007
   10   2HB   ALA   2          1HB       ALA   2 -15.684   8.713   8.713
   11   3HB   ALA   2          3HB       ALA   2 -14.851  10.239  10.239
   12    H    GLU   3           H        GLU   3 -18.796   9.292   9.292
   13    HA   GLU   3           HA       GLU   3 -20.800   8.886   8.886
   14   1HB   GLU   3          2HB       GLU   3 -20.289   7.736   7.736
   15   2HB   GLU   3          1HB       GLU   3 -21.642   7.152   7.152
   16   1HG   GLU   3          2HG       GLU   3 -22.357   9.001   9.001
   17   2HG   GLU   3          1HG       GLU   3 -22.544   9.466   9.466
   18    H    PHE   4           H        PHE   4 -20.650   7.547   7.547
   19    HA   PHE   4           HA       PHE   4 -18.587   5.484   5.484
   20   1HB   PHE   4          2HB       PHE   4 -20.809   6.128   6.128
   21   2HB   PHE   4          1HB       PHE   4 -19.265   5.358   5.358
   22    HD1  PHE   4           HD2      PHE   4 -17.130   6.711   6.711
   23    HD2  PHE   4           HD1      PHE   4 -20.978   8.530   8.530
   24    HE1  PHE   4           HE2      PHE   4 -16.112   8.917   8.917
   25    HE2  PHE   4           HE1      PHE   4 -19.955  10.733  10.733
   26    HZ   PHE   4           HZ       PHE   4 -17.520  10.932  10.932
   27    H    ARG   5           H        ARG   5 -19.948   4.756   4.756
   28    HA   ARG   5           HA       ARG   5 -21.947   2.710   2.710
   29   1HB   ARG   5          2HB       ARG   5 -22.382   2.661   2.661
   30   2HB   ARG   5          1HB       ARG   5 -22.683   4.219   4.219
   31   1HG   ARG   5          2HG       ARG   5 -20.419   5.001   5.001
   32   2HG   ARG   5          1HG       ARG   5 -20.151   3.459   3.459
   33   1HD   ARG   5          2HD       ARG   5 -21.662   3.926   3.926
   34   2HD   ARG   5          1HD       ARG   5 -22.672   4.951   4.951
   35    HE   ARG   5           HE       ARG   5 -20.000   6.033   6.033
   36   1HH1  ARG   5          1HH2      ARG   5 -23.273   5.817   5.817
   37   2HH1  ARG   5          2HH2      ARG   5 -23.169   7.287   7.287
   38   1HH2  ARG   5          2HH1      ARG   5 -19.855   7.896   7.896
   39   2HH2  ARG   5          1HH1      ARG   5 -21.211   8.479   8.479
   40    H    HIS   6           H        HIS   6 -19.536   2.121   2.121
   41    HA   HIS   6           HA       HIS   6 -17.890   0.477   0.477
   42   1HB   HIS   6          2HB       HIS   6 -19.265  -0.983  -0.983
   43   2HB   HIS   6          1HB       HIS   6 -18.481  -1.657  -1.657
   44    HD1  HIS   6           HD1      HIS   6 -19.903  -0.817  -0.817
   45    HD2  HIS   6           HD2      HIS   6 -21.985  -1.069  -1.069
   46    HE1  HIS   6           HE1      HIS   6 -22.288  -0.953  -0.953
   47    H    ASP   7           H        ASP   7 -17.950   2.718   2.718
   48    HA   ASP   7           HA       ASP   7 -16.615   3.603   3.603
   49   1HB   ASP   7          2HB       ASP   7 -14.811   2.761   2.761
   50   2HB   ASP   7          1HB       ASP   7 -14.679   1.306   1.306
   51    H    SER   8           H        SER   8 -18.569   2.375   2.375
   52    HA   SER   8           HA       SER   8 -17.904   0.189   0.189
   53   1HB   SER   8          2HB       SER   8 -20.432   1.833   1.833
   54   2HB   SER   8          1HB       SER   8 -20.361   0.583   0.583
   55    HG   SER   8           HG       SER   8 -20.502  -0.824  -0.824
   56    H    GLY   9           H        GLY   9 -16.162   1.900   1.900
   57   1HA   GLY   9          2HA       GLY   9 -16.478   2.526   2.526
   58   2HA   GLY   9          1HA       GLY   9 -16.650   4.011   4.011
   59    H    TYR  10           H        TYR  10 -14.689   2.133   2.133
   60    HA   TYR  10           HA       TYR  10 -12.192   2.312   2.312
   61   1HB   TYR  10          2HB       TYR  10 -13.011   4.794   4.794
   62   2HB   TYR  10          1HB       TYR  10 -12.106   4.190   4.190
   63    HD1  TYR  10           HD2      TYR  10 -11.869   4.857   4.857
   64    HD2  TYR  10           HD1      TYR  10  -9.720   4.111   4.111
   65    HE1  TYR  10           HE2      TYR  10  -9.784   5.417   5.417
   66    HE2  TYR  10           HE1      TYR  10  -7.631   4.672   4.672
   67    HH   TYR  10           HH       TYR  10  -7.075   4.615   4.615
   68    H    GLU  11           H        GLU  11 -10.369   2.223   2.223
   69    HA   GLU  11           HA       GLU  11 -10.893   0.959   0.959
   70   1HB   GLU  11          2HB       GLU  11 -11.518  -0.986  -0.986
   71   2HB   GLU  11          1HB       GLU  11  -9.938  -0.881  -0.881
   72   1HG   GLU  11          2HG       GLU  11  -9.076  -1.113  -1.113
   73   2HG   GLU  11          1HG       GLU  11 -10.674  -1.775  -1.775
   74    H    VAL  12           H        VAL  12  -9.432   2.220   2.220
   75    HA   VAL  12           HA       VAL  12  -6.881   2.803   2.803
   76    HB   VAL  12           HB       VAL  12  -8.090   3.173   3.173
   77   1HG1  VAL  12          2HG1      VAL  12  -5.375   4.126   4.126
   78   2HG1  VAL  12          1HG1      VAL  12  -6.173   4.917   4.917
   79   3HG1  VAL  12          3HG1      VAL  12  -5.699   3.235   3.235
   80   1HG2  VAL  12          2HG2      VAL  12  -7.572   5.113   5.113
   81   2HG2  VAL  12          1HG2      VAL  12  -9.135   4.491   4.491
   82   3HG2  VAL  12          3HG2      VAL  12  -8.248   5.577   5.577
   83    H    HIS  13           H        HIS  13  -8.121   0.446   0.446
   84    HA   HIS  13           HA       HIS  13  -7.203  -1.312  -1.312
   85   1HB   HIS  13          2HB       HIS  13  -6.752  -1.575  -1.575
   86   2HB   HIS  13          1HB       HIS  13  -5.176  -1.942  -1.942
   87    HD1  HIS  13           HD1      HIS  13  -8.732  -3.020  -3.020
   88    HD2  HIS  13           HD2      HIS  13  -4.954  -4.518  -4.518
   89    HE1  HIS  13           HE1      HIS  13  -8.986  -5.382  -5.382
   90    H    HIS  14           H        HIS  14  -5.911   1.253   1.253
   91    HA   HIS  14           HA       HIS  14  -3.971   2.265   2.265
   92   1HB   HIS  14          2HB       HIS  14  -3.323   1.189   1.189
   93   2HB   HIS  14          1HB       HIS  14  -5.062   1.285   1.285
   94    HD1  HIS  14           HD1      HIS  14  -2.328  -1.256  -1.256
   95    HD2  HIS  14           HD2      HIS  14  -6.392  -1.149  -1.149
   96    HE1  HIS  14           HE1      HIS  14  -3.056  -3.589  -3.589
   97    H    GLN  15           H        GLN  15  -3.348   1.002   1.002
   98    HA   GLN  15           HA       GLN  15  -1.063  -0.685  -0.685
   99   1HB   GLN  15          2HB       GLN  15  -1.011  -0.454  -0.454
  100   2HB   GLN  15          1HB       GLN  15  -2.678  -0.544  -0.544
  101   1HG   GLN  15          2HG       GLN  15  -2.752   1.242   1.242
  102   2HG   GLN  15          1HG       GLN  15  -2.672   2.063   2.063
  103   1HE2  GLN  15          2HE2      GLN  15   0.768   2.015   2.015
  104   2HE2  GLN  15          1HE2      GLN  15  -0.255   0.659   0.659
  105    H    PHE  16           H        PHE  16  -1.005   2.122   2.122
  106    HA   PHE  16           HA       PHE  16   1.065   3.620   3.620
  107   1HB   PHE  16          2HB       PHE  16   1.065   3.568   3.568
  108   2HB   PHE  16          1HB       PHE  16   1.135   4.935   4.935
  109    HD1  PHE  16           HD2      PHE  16  -1.133   5.122   5.122
  110    HD2  PHE  16           HD1      PHE  16  -0.892   3.391   3.391
  111    HE1  PHE  16           HE2      PHE  16  -3.532   5.528   5.528
  112    HE2  PHE  16           HE1      PHE  16  -3.288   3.801   3.801
  113    HZ   PHE  16           HZ       PHE  16  -4.613   4.868   4.868
  114    H    LEU  17           H        LEU  17   1.197   0.956   0.956
  115    HA   LEU  17           HA       LEU  17   3.988   1.001   1.001
  116   1HB   LEU  17          2HB       LEU  17   2.006  -1.314  -1.314
  117   2HB   LEU  17          1HB       LEU  17   3.565  -1.309  -1.309
  118    HG   LEU  17           HG       LEU  17   2.506   1.034   1.034
  119   1HD1  LEU  17          3HD1      LEU  17   0.161  -0.723  -0.723
  120   2HD1  LEU  17          2HD1      LEU  17   0.088   0.205   0.205
  121   3HD1  LEU  17          1HD1      LEU  17   0.305   1.027   1.027
  122   1HD2  LEU  17          2HD2      LEU  17   3.512  -0.797  -0.797
  123   2HD2  LEU  17          1HD2      LEU  17   2.019  -0.233  -0.233
  124   3HD2  LEU  17          3HD2      LEU  17   2.038  -1.742  -1.742
  125    H    VAL  18           H        VAL  18   2.011  -0.474  -0.474
  126    HA   VAL  18           HA       VAL  18   4.125  -2.013  -2.013
  127    HB   VAL  18           HB       VAL  18   1.456  -1.067  -1.067
  128   1HG1  VAL  18          3HG1      VAL  18   3.527  -3.069  -3.069
  129   2HG1  VAL  18          2HG1      VAL  18   1.835  -3.254  -3.254
  130   3HG1  VAL  18          1HG1      VAL  18   2.701  -1.814  -1.814
  131   1HG2  VAL  18          3HG2      VAL  18   2.332  -3.586  -3.586
  132   2HG2  VAL  18          2HG2      VAL  18   1.191  -2.386  -2.386
  133   3HG2  VAL  18          1HG2      VAL  18   0.766  -3.408  -3.408
  134    H    PHE  19           H        PHE  19   2.629   1.054   1.054
  135    HA   PHE  19           HA       PHE  19   3.964   1.895   1.895
  136   1HB   PHE  19          2HB       PHE  19   2.106   3.125   3.125
  137   2HB   PHE  19          1HB       PHE  19   3.403   3.768   3.768
  138    HD1  PHE  19           HD2      PHE  19   1.911   3.772   3.772
  139    HD2  PHE  19           HD1      PHE  19   5.017   5.370   5.370
  140    HE1  PHE  19           HE2      PHE  19   2.362   5.492   5.492
  141    HE2  PHE  19           HE1      PHE  19   5.464   7.086   7.086
  142    HZ   PHE  19           HZ       PHE  19   4.138   7.152   7.152
  143    H    PHE  20           H        PHE  20   4.992   1.797   1.797
  144    HA   PHE  20           HA       PHE  20   7.518   3.155   3.155
  145   1HB   PHE  20          2HB       PHE  20   6.101   1.728   1.728
  146   2HB   PHE  20          1HB       PHE  20   7.843   1.792   1.792
  147    HD1  PHE  20           HD1      PHE  20   8.750   4.337   4.337
  148    HD2  PHE  20           HD2      PHE  20   5.014   3.398   3.398
  149    HE1  PHE  20           HE1      PHE  20   8.580   6.633   6.633
  150    HE2  PHE  20           HE2      PHE  20   4.848   5.697   5.697
  151    HZ   PHE  20           HZ       PHE  20   6.630   7.320   7.320
  152    H    ALA  21           H        ALA  21   6.499  -0.175  -0.175
  153    HA   ALA  21           HA       ALA  21   8.836  -1.589  -1.589
  154   1HB   ALA  21          2HB       ALA  21   6.413  -2.425  -2.425
  155   2HB   ALA  21          1HB       ALA  21   6.414  -2.460  -2.460
  156   3HB   ALA  21          3HB       ALA  21   7.540  -3.465  -3.465
  157    H    GLU  22           H        GLU  22   7.077  -0.542  -0.542
  158    HA   GLU  22           HA       GLU  22   8.582  -1.616  -1.616
  159   1HB   GLU  22          2HB       GLU  22   6.876   0.848   0.848
  160   2HB   GLU  22          1HB       GLU  22   7.829   0.689   0.689
  161   1HG   GLU  22          2HG       GLU  22   5.861  -0.380  -0.380
  162   2HG   GLU  22          1HG       GLU  22   6.827  -1.750  -1.750
  163    H    ASP  23           H        ASP  23   9.558   0.901   0.901
  164    HA   ASP  23           HA       ASP  23  12.100   1.169   1.169
  165   1HB   ASP  23          2HB       ASP  23  10.319   2.953   2.953
  166   2HB   ASP  23          1HB       ASP  23  10.546   3.617   3.617
  167    H    VAL  24           H        VAL  24  11.287  -0.127  -0.127
  168    HA   VAL  24           HA       VAL  24  13.062   1.265   1.265
  169    HB   VAL  24           HB       VAL  24  10.315   0.165   0.165
  170   1HG1  VAL  24          3HG1      VAL  24  12.396   0.843   0.843
  171   2HG1  VAL  24          2HG1      VAL  24  10.687   0.652   0.652
  172   3HG1  VAL  24          1HG1      VAL  24  11.610  -0.714  -0.714
  173   1HG2  VAL  24          2HG2      VAL  24  10.595   2.634   2.634
  174   2HG2  VAL  24          1HG2      VAL  24   9.825   2.389   2.389
  175   3HG2  VAL  24          3HG2      VAL  24  11.513   2.852   2.852
  176    H    GLY  25           H        GLY  25  11.601  -1.686  -1.686
  177   1HA   GLY  25          2HA       GLY  25  12.397  -3.875  -3.875
  178   2HA   GLY  25          1HA       GLY  25  13.946  -3.263  -3.263
  179    H    SER  26           H        SER  26  14.483  -4.211  -4.211
  180    HA   SER  26           HA       SER  26  12.849  -4.139  -4.139
  181   1HB   SER  26          2HB       SER  26  12.825  -6.741  -6.741
  182   2HB   SER  26          1HB       SER  26  11.723  -6.125  -6.125
  183    HG   SER  26           HG       SER  26  14.164  -6.380  -6.380
  184    H    ASN  27           H        ASN  27  15.512  -5.638  -5.638
  185    HA   ASN  27           HA       ASN  27  17.138  -5.884  -5.884
  186   1HB   ASN  27          2HB       ASN  27  17.182  -7.641  -7.641
  187   2HB   ASN  27          1HB       ASN  27  17.885  -6.460  -6.460
  188   1HD2  ASN  27          2HD2      ASN  27  21.105  -6.565  -6.565
  189   2HD2  ASN  27          1HD2      ASN  27  20.074  -5.665  -5.665
  190    H    LYS  28           H        LYS  28  17.008  -4.027  -4.027
  191    HA   LYS  28           HA       LYS  28  17.877  -2.005  -2.005
  192   1HB   LYS  28          2HB       LYS  28  18.336  -1.708  -1.708
  193   2HB   LYS  28          1HB       LYS  28  18.781  -0.460  -0.460
  194   1HG   LYS  28          2HG       LYS  28  16.598   0.100   0.100
  195   2HG   LYS  28          1HG       LYS  28  16.408  -0.459  -0.459
  196   1HD   LYS  28          2HD       LYS  28  15.425  -2.498  -2.498
  197   2HD   LYS  28          1HD       LYS  28  16.133  -2.455  -2.455
  198   1HE   LYS  28          2HE       LYS  28  14.225  -0.239  -0.239
  199   2HE   LYS  28          1HE       LYS  28  13.540  -1.838  -1.838
  200   1HZ   LYS  28          2HZ       LYS  28  15.408  -1.392  -1.392
  201   2HZ   LYS  28          1HZ       LYS  28  14.403  -0.027  -0.027
  202   3HZ   LYS  28          3HZ       LYS  28  13.725  -1.567  -1.567

  Start of MODEL    5
    1   1H    ASP   1          2H        ASP   1  -8.254   0.999   0.999
    2   2H    ASP   1          1H        ASP   1  -6.851   1.430   1.430
    3   3H    ASP   1          3H        ASP   1  -7.137  -0.197  -0.197
    4    HA   ASP   1           HA       ASP   1  -8.194  -0.522  -0.522
    5   1HB   ASP   1          2HB       ASP   1  -6.647   1.238   1.238
    6   2HB   ASP   1          1HB       ASP   1  -7.814   2.473   2.473
    7    H    ALA   2           H        ALA   2 -10.159  -0.179  -0.179
    8    HA   ALA   2           HA       ALA   2 -12.283   1.409   1.409
    9   1HB   ALA   2          1HB       ALA   2 -12.175  -1.001  -1.001
   10   2HB   ALA   2          3HB       ALA   2 -12.645  -1.536  -1.536
   11   3HB   ALA   2          2HB       ALA   2 -13.720  -0.516  -0.516
   12    H    GLU   3           H        GLU   3 -13.593   2.303   2.303
   13    HA   GLU   3           HA       GLU   3 -13.581   1.303   1.303
   14   1HB   GLU   3          2HB       GLU   3 -13.275   4.143   4.143
   15   2HB   GLU   3          1HB       GLU   3 -13.815   3.871   3.871
   16   1HG   GLU   3          2HG       GLU   3 -11.775   3.028   3.028
   17   2HG   GLU   3          1HG       GLU   3 -11.365   2.389   2.389
   18    H    PHE   4           H        PHE   4 -15.367   1.173   1.173
   19    HA   PHE   4           HA       PHE   4 -17.893   2.230   2.230
   20   1HB   PHE   4          2HB       PHE   4 -18.806   1.653   1.653
   21   2HB   PHE   4          1HB       PHE   4 -17.837   3.085   3.085
   22    HD1  PHE   4           HD1      PHE   4 -15.412   3.079   3.079
   23    HD2  PHE   4           HD2      PHE   4 -18.024  -0.161  -0.161
   24    HE1  PHE   4           HE1      PHE   4 -13.852   2.315   2.315
   25    HE2  PHE   4           HE2      PHE   4 -16.459  -0.915  -0.915
   26    HZ   PHE   4           HZ       PHE   4 -14.372   0.317   0.317
   27    H    ARG   5           H        ARG   5 -17.200   0.354   0.354
   28    HA   ARG   5           HA       ARG   5 -18.959  -1.894  -1.894
   29   1HB   ARG   5          2HB       ARG   5 -16.992  -3.501  -3.501
   30   2HB   ARG   5          1HB       ARG   5 -17.008  -2.918  -2.918
   31   1HG   ARG   5          2HG       ARG   5 -15.463  -0.939  -0.939
   32   2HG   ARG   5          1HG       ARG   5 -15.222  -2.117  -2.117
   33   1HD   ARG   5          2HD       ARG   5 -13.534  -2.011  -2.011
   34   2HD   ARG   5          1HD       ARG   5 -14.021  -3.576  -3.576
   35    HE   ARG   5           HE       ARG   5 -14.941  -4.002  -4.002
   36   1HH1  ARG   5          1HH2      ARG   5 -14.916  -0.579  -0.579
   37   2HH1  ARG   5          2HH2      ARG   5 -15.583  -0.216  -0.216
   38   1HH2  ARG   5          2HH1      ARG   5 -15.772  -3.556  -3.556
   39   2HH2  ARG   5          1HH1      ARG   5 -16.070  -1.920  -1.920
   40    H    HIS   6           H        HIS   6 -19.353   0.112   0.112
   41    HA   HIS   6           HA       HIS   6 -19.924   0.748   0.748
   42   1HB   HIS   6          2HB       HIS   6 -19.913  -2.254  -2.254
   43   2HB   HIS   6          1HB       HIS   6 -20.915  -1.009  -1.009
   44    HD1  HIS   6           HD1      HIS   6 -20.556  -2.867  -2.867
   45    HD2  HIS   6           HD2      HIS   6 -23.196  -0.261  -0.261
   46    HE1  HIS   6           HE1      HIS   6 -22.550  -2.839  -2.839
   47    H    ASP   7           H        ASP   7 -17.511   1.338   1.338
   48    HA   ASP   7           HA       ASP   7 -15.689   0.046   0.046
   49   1HB   ASP   7          2HB       ASP   7 -15.533   2.686   2.686
   50   2HB   ASP   7          1HB       ASP   7 -14.202   2.006   2.006
   51    H    SER   8           H        SER   8 -17.360   0.223   0.223
   52    HA   SER   8           HA       SER   8 -18.151   2.672   2.672
   53   1HB   SER   8          2HB       SER   8 -18.649   1.154   1.154
   54   2HB   SER   8          1HB       SER   8 -19.331   0.551   0.551
   55    HG   SER   8           HG       SER   8 -17.451  -0.544  -0.544
   56    H    GLY   9           H        GLY   9 -15.401   0.622   0.622
   57   1HA   GLY   9          2HA       GLY   9 -14.354   2.140   2.140
   58   2HA   GLY   9          1HA       GLY   9 -13.519   0.836   0.836
   59    H    TYR  10           H        TYR  10 -12.069   1.346   1.346
   60    HA   TYR  10           HA       TYR  10 -12.044   3.827   3.827
   61   1HB   TYR  10          2HB       TYR  10 -10.957   4.101   4.101
   62   2HB   TYR  10          1HB       TYR  10  -9.526   3.732   3.732
   63    HD1  TYR  10           HD2      TYR  10  -8.784   5.249   5.249
   64    HD2  TYR  10           HD1      TYR  10 -12.258   6.145   6.145
   65    HE1  TYR  10           HE2      TYR  10  -8.765   7.536   7.536
   66    HE2  TYR  10           HE1      TYR  10 -12.237   8.430   8.430
   67    HH   TYR  10           HH       TYR  10 -10.362  10.026  10.026
   68    H    GLU  11           H        GLU  11 -10.257   4.117   4.117
   69    HA   GLU  11           HA       GLU  11  -8.096   2.450   2.450
   70   1HB   GLU  11          2HB       GLU  11  -9.746   0.606   0.606
   71   2HB   GLU  11          1HB       GLU  11 -10.629   1.679   1.679
   72   1HG   GLU  11          2HG       GLU  11  -7.733   1.547   1.547
   73   2HG   GLU  11          1HG       GLU  11  -8.488  -0.032  -0.032
   74    H    VAL  12           H        VAL  12  -6.966   3.824   3.824
   75    HA   VAL  12           HA       VAL  12  -8.238   6.069   6.069
   76    HB   VAL  12           HB       VAL  12  -5.454   5.229   5.229
   77   1HG1  VAL  12          1HG1      VAL  12  -6.298   7.643   7.643
   78   2HG1  VAL  12          3HG1      VAL  12  -4.734   7.556   7.556
   79   3HG1  VAL  12          2HG1      VAL  12  -5.141   6.400   6.400
   80   1HG2  VAL  12          2HG2      VAL  12  -6.827   6.136   6.136
   81   2HG2  VAL  12          1HG2      VAL  12  -5.507   7.233   7.233
   82   3HG2  VAL  12          3HG2      VAL  12  -7.130   7.595   7.595
   83    H    HIS  13           H        HIS  13  -6.016   3.556   3.556
   84    HA   HIS  13           HA       HIS  13  -7.247   2.996   2.996
   85   1HB   HIS  13          2HB       HIS  13  -5.087   5.048   5.048
   86   2HB   HIS  13          1HB       HIS  13  -4.780   3.763   3.763
   87    HD1  HIS  13           HD1      HIS  13  -8.287   3.985   3.985
   88    HD2  HIS  13           HD2      HIS  13  -5.349   6.335   6.335
   89    HE1  HIS  13           HE1      HIS  13  -9.351   5.314   5.314
   90    H    HIS  14           H        HIS  14  -5.309   2.268   2.268
   91    HA   HIS  14           HA       HIS  14  -3.780   0.585   0.585
   92   1HB   HIS  14          2HB       HIS  14  -6.074  -0.535  -0.535
   93   2HB   HIS  14          1HB       HIS  14  -5.607  -1.001  -1.001
   94    HD1  HIS  14           HD1      HIS  14  -3.597  -1.205  -1.205
   95    HD2  HIS  14           HD2      HIS  14  -4.957  -3.659  -3.659
   96    HE1  HIS  14           HE1      HIS  14  -2.653  -3.438  -3.438
   97    H    GLN  15           H        GLN  15  -2.284   1.877   1.877
   98    HA   GLN  15           HA       GLN  15  -0.733   0.045   0.045
   99   1HB   GLN  15          2HB       GLN  15  -0.779   1.488   1.488
  100   2HB   GLN  15          1HB       GLN  15  -2.368   0.869   0.869
  101   1HG   GLN  15          2HG       GLN  15  -2.820   3.159   3.159
  102   2HG   GLN  15          1HG       GLN  15  -2.725   3.119   3.119
  103   1HE2  GLN  15          2HE2      GLN  15   0.406   4.789   4.789
  104   2HE2  GLN  15          1HE2      GLN  15  -0.510   3.560   3.560
  105    H    PHE  16           H        PHE  16  -0.850   2.148   2.148
  106    HA   PHE  16           HA       PHE  16   1.394   3.940   3.940
  107   1HB   PHE  16          2HB       PHE  16   0.949   3.705   3.705
  108   2HB   PHE  16          1HB       PHE  16   0.527   5.043   5.043
  109    HD1  PHE  16           HD1      PHE  16  -1.702   4.885   4.885
  110    HD2  PHE  16           HD2      PHE  16  -0.778   2.364   2.364
  111    HE1  PHE  16           HE1      PHE  16  -4.078   4.374   4.374
  112    HE2  PHE  16           HE2      PHE  16  -3.163   1.859   1.859
  113    HZ   PHE  16           HZ       PHE  16  -4.818   2.862   2.862
  114    H    LEU  17           H        LEU  17   0.832   1.094   1.094
  115    HA   LEU  17           HA       LEU  17   3.485   0.748   0.748
  116   1HB   LEU  17          2HB       LEU  17   1.305  -1.309  -1.309
  117   2HB   LEU  17          1HB       LEU  17   2.726  -1.616  -1.616
  118    HG   LEU  17           HG       LEU  17   0.944   0.747   0.747
  119   1HD1  LEU  17          2HD1      LEU  17   0.402  -2.143  -2.143
  120   2HD1  LEU  17          1HD1      LEU  17  -0.427  -0.732  -0.732
  121   3HD1  LEU  17          3HD1      LEU  17  -0.615  -1.170  -1.170
  122   1HD2  LEU  17          2HD2      LEU  17   2.625  -1.190  -1.190
  123   2HD2  LEU  17          1HD2      LEU  17   3.100   0.439   0.439
  124   3HD2  LEU  17          3HD2      LEU  17   1.746   0.193   0.193
  125    H    VAL  18           H        VAL  18   1.802  -0.125  -0.125
  126    HA   VAL  18           HA       VAL  18   3.789  -1.883  -1.883
  127    HB   VAL  18           HB       VAL  18   1.477  -0.353  -0.353
  128   1HG1  VAL  18          1HG1      VAL  18   3.346  -2.448  -2.448
  129   2HG1  VAL  18          3HG1      VAL  18   1.777  -2.054  -2.054
  130   3HG1  VAL  18          2HG1      VAL  18   3.033  -0.833  -0.833
  131   1HG2  VAL  18          1HG2      VAL  18   1.927  -3.237  -3.237
  132   2HG2  VAL  18          3HG2      VAL  18   0.901  -2.072  -2.072
  133   3HG2  VAL  18          2HG2      VAL  18   0.465  -2.643  -2.643
  134    H    PHE  19           H        PHE  19   3.122   1.528   1.528
  135    HA   PHE  19           HA       PHE  19   5.074   2.079   2.079
  136   1HB   PHE  19          2HB       PHE  19   3.182   3.662   3.662
  137   2HB   PHE  19          1HB       PHE  19   4.298   4.026   4.026
  138    HD1  PHE  19           HD1      PHE  19   4.084   3.950   3.950
  139    HD2  PHE  19           HD2      PHE  19   5.953   5.697   5.697
  140    HE1  PHE  19           HE1      PHE  19   5.229   5.563   5.563
  141    HE2  PHE  19           HE2      PHE  19   7.094   7.308   7.308
  142    HZ   PHE  19           HZ       PHE  19   6.735   7.246   7.246
  143    H    PHE  20           H        PHE  20   5.084   2.093   2.093
  144    HA   PHE  20           HA       PHE  20   7.821   2.780   2.780
  145   1HB   PHE  20          2HB       PHE  20   5.890   2.816   2.816
  146   2HB   PHE  20          1HB       PHE  20   6.100   1.079   1.079
  147    HD1  PHE  20           HD1      PHE  20   7.825   4.347   4.347
  148    HD2  PHE  20           HD2      PHE  20   7.953   0.165   0.165
  149    HE1  PHE  20           HE1      PHE  20   9.685   4.704   4.704
  150    HE2  PHE  20           HE2      PHE  20   9.813   0.529   0.529
  151    HZ   PHE  20           HZ       PHE  20  10.683   2.797   2.797
  152    H    ALA  21           H        ALA  21   6.354  -0.040  -0.040
  153    HA   ALA  21           HA       ALA  21   8.619  -1.706  -1.706
  154   1HB   ALA  21          2HB       ALA  21   6.262  -2.473  -2.473
  155   2HB   ALA  21          1HB       ALA  21   6.039  -2.381  -2.381
  156   3HB   ALA  21          3HB       ALA  21   7.157  -3.561  -3.561
  157    H    GLU  22           H        GLU  22   7.094  -0.617  -0.617
  158    HA   GLU  22           HA       GLU  22   8.912  -1.958  -1.958
  159   1HB   GLU  22          2HB       GLU  22   7.733  -0.670  -0.670
  160   2HB   GLU  22          1HB       GLU  22   6.602  -1.411  -1.411
  161   1HG   GLU  22          2HG       GLU  22   5.638   0.610   0.610
  162   2HG   GLU  22          1HG       GLU  22   6.994   1.061   1.061
  163    H    ASP  23           H        ASP  23   8.775   1.172   1.172
  164    HA   ASP  23           HA       ASP  23  10.897   2.298   2.298
  165   1HB   ASP  23          2HB       ASP  23   9.365   3.281   3.281
  166   2HB   ASP  23          1HB       ASP  23  10.646   4.225   4.225
  167    H    VAL  24           H        VAL  24  10.490   1.647   1.647
  168    HA   VAL  24           HA       VAL  24  13.261   1.950   1.950
  169    HB   VAL  24           HB       VAL  24  11.264   0.265   0.265
  170   1HG1  VAL  24          2HG1      VAL  24  13.587   1.963   1.963
  171   2HG1  VAL  24          1HG1      VAL  24  12.492   1.071   1.071
  172   3HG1  VAL  24          3HG1      VAL  24  13.537   0.208   0.208
  173   1HG2  VAL  24          1HG2      VAL  24  10.167   2.468   2.468
  174   2HG2  VAL  24          3HG2      VAL  24  10.472   2.308   2.308
  175   3HG2  VAL  24          2HG2      VAL  24  11.524   3.310   3.310
  176    H    GLY  25           H        GLY  25  11.238  -0.941  -0.941
  177   1HA   GLY  25          2HA       GLY  25  13.522  -2.760  -2.760
  178   2HA   GLY  25          1HA       GLY  25  11.821  -3.210  -3.210
  179    H    SER  26           H        SER  26  14.211  -3.918  -3.918
  180    HA   SER  26           HA       SER  26  12.993  -3.691  -3.691
  181   1HB   SER  26          2HB       SER  26  15.111  -2.520  -2.520
  182   2HB   SER  26          1HB       SER  26  14.070  -1.467  -1.467
  183    HG   SER  26           HG       SER  26  15.644  -1.285  -1.285
  184    H    ASN  27           H        ASN  27  15.807  -4.406  -4.406
  185    HA   ASN  27           HA       ASN  27  16.743  -6.519  -6.519
  186   1HB   ASN  27          2HB       ASN  27  18.222  -4.842  -4.842
  187   2HB   ASN  27          1HB       ASN  27  17.908  -5.893  -5.893
  188   1HD2  ASN  27          2HD2      ASN  27  20.061  -8.458  -8.458
  189   2HD2  ASN  27          1HD2      ASN  27  18.901  -7.997  -7.997
  190    H    LYS  28           H        LYS  28  14.217  -7.000  -7.000
  191    HA   LYS  28           HA       LYS  28  14.098  -8.683  -8.683
  192   1HB   LYS  28          2HB       LYS  28  12.287  -8.147  -8.147
  193   2HB   LYS  28          1HB       LYS  28  11.913  -9.487  -9.487
  194   1HG   LYS  28          2HG       LYS  28  10.704  -7.778  -7.778
  195   2HG   LYS  28          1HG       LYS  28  12.187  -7.749  -7.749
  196   1HD   LYS  28          2HD       LYS  28  11.695  -5.468  -5.468
  197   2HD   LYS  28          1HD       LYS  28  13.028  -5.911  -5.911
  198   1HE   LYS  28          2HE       LYS  28  11.765  -5.688  -5.688
  199   2HE   LYS  28          1HE       LYS  28  10.350  -6.440  -6.440
  200   1HZ   LYS  28          3HZ       LYS  28  10.777  -3.986  -3.986
  201   2HZ   LYS  28          2HZ       LYS  28  10.839  -3.736  -3.736
  202   3HZ   LYS  28          1HZ       LYS  28   9.476  -4.466  -4.466

  Start of MODEL    6
    1   1H    ASP   1          2H        ASP   1 -24.395   6.883   6.883
    2   2H    ASP   1          1H        ASP   1 -25.410   8.159   8.159
    3   3H    ASP   1          3H        ASP   1 -25.932   6.553   6.553
    4    HA   ASP   1           HA       ASP   1 -25.095   6.441   6.441
    5   1HB   ASP   1          2HB       ASP   1 -25.619   8.828   8.828
    6   2HB   ASP   1          1HB       ASP   1 -24.155   9.283   9.283
    7    H    ALA   2           H        ALA   2 -22.620   8.313   8.313
    8    HA   ALA   2           HA       ALA   2 -20.691   6.087   6.087
    9   1HB   ALA   2          2HB       ALA   2 -20.188   8.665   8.665
   10   2HB   ALA   2          1HB       ALA   2 -19.001   7.397   7.397
   11   3HB   ALA   2          3HB       ALA   2 -20.430   7.074   7.074
   12    H    GLU   3           H        GLU   3 -21.311   6.660   6.660
   13    HA   GLU   3           HA       GLU   3 -20.253   9.107   9.107
   14   1HB   GLU   3          2HB       GLU   3 -22.188   7.514   7.514
   15   2HB   GLU   3          1HB       GLU   3 -20.906   6.612   6.612
   16   1HG   GLU   3          2HG       GLU   3 -21.535   9.583   9.583
   17   2HG   GLU   3          1HG       GLU   3 -21.827   8.301   8.301
   18    H    PHE   4           H        PHE   4 -18.182   8.979   8.979
   19    HA   PHE   4           HA       PHE   4 -16.199   7.708   7.708
   20   1HB   PHE   4          2HB       PHE   4 -16.032   7.408   7.408
   21   2HB   PHE   4          1HB       PHE   4 -14.929   6.708   6.708
   22    HD1  PHE   4           HD1      PHE   4 -15.813   4.918   4.918
   23    HD2  PHE   4           HD2      PHE   4 -18.037   6.267   6.267
   24    HE1  PHE   4           HE1      PHE   4 -17.223   2.914   2.914
   25    HE2  PHE   4           HE2      PHE   4 -19.445   4.262   4.262
   26    HZ   PHE   4           HZ       PHE   4 -19.041   2.582   2.582
   27    H    ARG   5           H        ARG   5 -17.296  10.262  10.262
   28    HA   ARG   5           HA       ARG   5 -16.761  12.476  12.476
   29   1HB   ARG   5          2HB       ARG   5 -14.757  13.215  13.215
   30   2HB   ARG   5          1HB       ARG   5 -15.611  12.024  12.024
   31   1HG   ARG   5          2HG       ARG   5 -13.422  10.959  10.959
   32   2HG   ARG   5          1HG       ARG   5 -12.922  12.021  12.021
   33   1HD   ARG   5          2HD       ARG   5 -14.381  10.585  10.585
   34   2HD   ARG   5          1HD       ARG   5 -14.404   9.377   9.377
   35    HE   ARG   5           HE       ARG   5 -12.122  10.136  10.136
   36   1HH1  ARG   5          1HH2      ARG   5 -13.165   8.676   8.676
   37   2HH1  ARG   5          2HH2      ARG   5 -11.714   7.752   7.752
   38   1HH2  ARG   5          2HH1      ARG   5 -10.280   8.977   8.977
   39   2HH2  ARG   5          1HH1      ARG   5 -10.049   7.927   7.927
   40    H    HIS   6           H        HIS   6 -16.405  10.771  10.771
   41    HA   HIS   6           HA       HIS   6 -15.841  10.848  10.848
   42   1HB   HIS   6          2HB       HIS   6 -15.696  13.439  13.439
   43   2HB   HIS   6          1HB       HIS   6 -13.956  13.204  13.204
   44    HD1  HIS   6           HD1      HIS   6 -16.953  12.718  12.718
   45    HD2  HIS   6           HD2      HIS   6 -12.900  13.033  13.033
   46    HE1  HIS   6           HE1      HIS   6 -16.481  12.828  12.828
   47    H    ASP   7           H        ASP   7 -14.701   9.041   9.041
   48    HA   ASP   7           HA       ASP   7 -12.925   7.566   7.566
   49   1HB   ASP   7          2HB       ASP   7 -13.338   7.798   7.798
   50   2HB   ASP   7          1HB       ASP   7 -11.873   8.757   8.757
   51    H    SER   8           H        SER   8 -12.609   9.551   9.551
   52    HA   SER   8           HA       SER   8 -11.104  10.718  10.718
   53   1HB   SER   8          2HB       SER   8  -9.803   8.428   8.428
   54   2HB   SER   8          1HB       SER   8  -8.771   9.396   9.396
   55    HG   SER   8           HG       SER   8  -8.818   9.321   9.321
   56    H    GLY   9           H        GLY   9 -12.018  11.716  11.716
   57   1HA   GLY   9          2HA       GLY   9 -11.793  13.861  13.861
   58   2HA   GLY   9          1HA       GLY   9 -10.179  14.003  14.003
   59    H    TYR  10           H        TYR  10  -9.198  11.515  11.515
   60    HA   TYR  10           HA       TYR  10  -9.464  11.339  11.339
   61   1HB   TYR  10          2HB       TYR  10  -7.579  12.530  12.530
   62   2HB   TYR  10          1HB       TYR  10  -7.866  13.456  13.456
   63    HD1  TYR  10           HD2      TYR  10  -6.769  12.223  12.223
   64    HD2  TYR  10           HD1      TYR  10  -5.365  11.887  11.887
   65    HE1  TYR  10           HE2      TYR  10  -4.546  11.612  11.612
   66    HE2  TYR  10           HE1      TYR  10  -3.147  11.281  11.281
   67    HH   TYR  10           HH       TYR  10  -2.078  11.828  11.828
   68    H    GLU  11           H        GLU  11  -7.874   9.743   9.743
   69    HA   GLU  11           HA       GLU  11  -6.324   8.033   8.033
   70   1HB   GLU  11          2HB       GLU  11  -8.616   7.306   7.306
   71   2HB   GLU  11          1HB       GLU  11  -9.085   7.004   7.004
   72   1HG   GLU  11          2HG       GLU  11  -7.385   5.220   5.220
   73   2HG   GLU  11          1HG       GLU  11  -6.753   5.605   5.605
   74    H    VAL  12           H        VAL  12  -4.855   7.990   7.990
   75    HA   VAL  12           HA       VAL  12  -4.978   8.097   8.097
   76    HB   VAL  12           HB       VAL  12  -2.921   6.887   6.887
   77   1HG1  VAL  12          3HG1      VAL  12  -2.763   8.013   8.013
   78   2HG1  VAL  12          2HG1      VAL  12  -1.336   7.622   7.622
   79   3HG1  VAL  12          1HG1      VAL  12  -2.450   6.350   6.350
   80   1HG2  VAL  12          3HG2      VAL  12  -3.515   9.746   9.746
   81   2HG2  VAL  12          2HG2      VAL  12  -3.233   9.063   9.063
   82   3HG2  VAL  12          1HG2      VAL  12  -1.890   9.281   9.281
   83    H    HIS  13           H        HIS  13  -4.338   5.364   5.364
   84    HA   HIS  13           HA       HIS  13  -5.991   3.441   3.441
   85   1HB   HIS  13          2HB       HIS  13  -4.528   3.463   3.463
   86   2HB   HIS  13          1HB       HIS  13  -3.082   3.523   3.523
   87    HD1  HIS  13           HD1      HIS  13  -2.475   1.251   1.251
   88    HD2  HIS  13           HD2      HIS  13  -5.571   0.897   0.897
   89    HE1  HIS  13           HE1      HIS  13  -2.772  -1.169  -1.169
   90    H    HIS  14           H        HIS  14  -2.694   3.629   3.629
   91    HA   HIS  14           HA       HIS  14  -3.254   2.671   2.671
   92   1HB   HIS  14          2HB       HIS  14  -3.563   0.498   0.498
   93   2HB   HIS  14          1HB       HIS  14  -1.890   0.638   0.638
   94    HD1  HIS  14           HD1      HIS  14  -3.679   0.701   0.701
   95    HD2  HIS  14           HD2      HIS  14  -0.253  -0.766  -0.766
   96    HE1  HIS  14           HE1      HIS  14  -2.525  -0.548  -0.548
   97    H    GLN  15           H        GLN  15  -0.355   1.326   1.326
   98    HA   GLN  15           HA       GLN  15   1.824   1.889   1.889
   99   1HB   GLN  15          2HB       GLN  15   0.625   4.225   4.225
  100   2HB   GLN  15          1HB       GLN  15   2.272   4.395   4.395
  101   1HG   GLN  15          2HG       GLN  15   1.357   1.943   1.943
  102   2HG   GLN  15          1HG       GLN  15   1.945   3.384   3.384
  103   1HE2  GLN  15          2HE2      GLN  15   4.574   0.885   0.885
  104   2HE2  GLN  15          1HE2      GLN  15   2.901   0.610   0.610
  105    H    PHE  16           H        PHE  16   0.360   1.898   1.898
  106    HA   PHE  16           HA       PHE  16   1.486   3.868   3.868
  107   1HB   PHE  16          2HB       PHE  16  -0.794   4.730   4.730
  108   2HB   PHE  16          1HB       PHE  16  -1.455   3.107   3.107
  109    HD1  PHE  16           HD2      PHE  16   0.746   4.863   4.863
  110    HD2  PHE  16           HD1      PHE  16  -2.811   2.607   2.607
  111    HE1  PHE  16           HE2      PHE  16   0.284   4.872   4.872
  112    HE2  PHE  16           HE1      PHE  16  -3.266   2.620   2.620
  113    HZ   PHE  16           HZ       PHE  16  -1.722   3.752   3.752
  114    H    LEU  17           H        LEU  17   2.610   2.518   2.518
  115    HA   LEU  17           HA       LEU  17   3.121   0.737   0.737
  116   1HB   LEU  17          2HB       LEU  17   0.813  -0.894  -0.894
  117   2HB   LEU  17          1HB       LEU  17   1.691  -1.204  -1.204
  118    HG   LEU  17           HG       LEU  17   0.368   1.470   1.470
  119   1HD1  LEU  17          3HD1      LEU  17  -1.231  -1.109  -1.109
  120   2HD1  LEU  17          2HD1      LEU  17  -1.882   0.252   0.252
  121   3HD1  LEU  17          1HD1      LEU  17  -1.510   0.423   0.423
  122   1HD2  LEU  17          3HD2      LEU  17   1.511   0.464   0.464
  123   2HD2  LEU  17          2HD2      LEU  17  -0.170   0.861   0.861
  124   3HD2  LEU  17          1HD2      LEU  17   0.298  -0.809  -0.809
  125    H    VAL  18           H        VAL  18   2.216   0.509   0.509
  126    HA   VAL  18           HA       VAL  18   4.130  -1.672  -1.672
  127    HB   VAL  18           HB       VAL  18   1.891  -0.395  -0.395
  128   1HG1  VAL  18          1HG1      VAL  18   3.831  -2.641  -2.641
  129   2HG1  VAL  18          3HG1      VAL  18   2.334  -2.338  -2.338
  130   3HG1  VAL  18          2HG1      VAL  18   3.599  -1.127  -1.127
  131   1HG2  VAL  18          2HG2      VAL  18   1.235  -1.910  -1.910
  132   2HG2  VAL  18          1HG2      VAL  18   0.832  -2.621  -2.621
  133   3HG2  VAL  18          3HG2      VAL  18   2.253  -3.171  -3.171
  134    H    PHE  19           H        PHE  19   3.455   1.682   1.682
  135    HA   PHE  19           HA       PHE  19   5.363   2.146   2.146
  136   1HB   PHE  19          2HB       PHE  19   3.954   4.031   4.031
  137   2HB   PHE  19          1HB       PHE  19   4.194   3.938   3.938
  138    HD1  PHE  19           HD1      PHE  19   6.058   4.576   4.576
  139    HD2  PHE  19           HD2      PHE  19   5.850   5.324   5.324
  140    HE1  PHE  19           HE1      PHE  19   7.907   6.175   6.175
  141    HE2  PHE  19           HE2      PHE  19   7.699   6.923   6.923
  142    HZ   PHE  19           HZ       PHE  19   8.732   7.351   7.351
  143    H    PHE  20           H        PHE  20   5.517   2.244   2.244
  144    HA   PHE  20           HA       PHE  20   8.314   2.828   2.828
  145   1HB   PHE  20          2HB       PHE  20   6.420   2.978   2.978
  146   2HB   PHE  20          1HB       PHE  20   6.745   1.273   1.273
  147    HD1  PHE  20           HD2      PHE  20   8.337   4.641   4.641
  148    HD2  PHE  20           HD1      PHE  20   8.717   0.592   0.592
  149    HE1  PHE  20           HE2      PHE  20  10.304   5.244   5.244
  150    HE2  PHE  20           HE1      PHE  20  10.683   1.203   1.203
  151    HZ   PHE  20           HZ       PHE  20  11.480   3.528   3.528
  152    H    ALA  21           H        ALA  21   6.613   0.088   0.088
  153    HA   ALA  21           HA       ALA  21   9.010  -1.585  -1.585
  154   1HB   ALA  21          1HB       ALA  21   6.896  -2.117  -2.117
  155   2HB   ALA  21          3HB       ALA  21   6.110  -2.501  -2.501
  156   3HB   ALA  21          2HB       ALA  21   7.489  -3.460  -3.460
  157    H    GLU  22           H        GLU  22   8.561   0.164   0.164
  158    HA   GLU  22           HA       GLU  22   8.602  -1.659  -1.659
  159   1HB   GLU  22          2HB       GLU  22   6.328  -0.788  -0.788
  160   2HB   GLU  22          1HB       GLU  22   6.875   0.825   0.825
  161   1HG   GLU  22          2HG       GLU  22   6.258   0.622   0.622
  162   2HG   GLU  22          1HG       GLU  22   7.933   1.096   1.096
  163    H    ASP  23           H        ASP  23   9.103   1.517   1.517
  164    HA   ASP  23           HA       ASP  23  11.186   2.167   2.167
  165   1HB   ASP  23          2HB       ASP  23  10.949   4.410   4.410
  166   2HB   ASP  23          1HB       ASP  23   9.341   3.790   3.790
  167    H    VAL  24           H        VAL  24  10.828   1.544   1.544
  168    HA   VAL  24           HA       VAL  24  13.644   1.905   1.905
  169    HB   VAL  24           HB       VAL  24  11.654   0.339   0.339
  170   1HG1  VAL  24          3HG1      VAL  24  13.980   0.298   0.298
  171   2HG1  VAL  24          2HG1      VAL  24  14.025   2.055   2.055
  172   3HG1  VAL  24          1HG1      VAL  24  12.970   1.195   1.195
  173   1HG2  VAL  24          3HG2      VAL  24  11.946   3.374   3.374
  174   2HG2  VAL  24          2HG2      VAL  24  10.506   2.439   2.439
  175   3HG2  VAL  24          1HG2      VAL  24  11.082   2.541   2.541
  176    H    GLY  25           H        GLY  25  11.485  -0.881  -0.881
  177   1HA   GLY  25          2HA       GLY  25  13.599  -2.591  -2.591
  178   2HA   GLY  25          1HA       GLY  25  12.987  -3.075  -3.075
  179    H    SER  26           H        SER  26  12.411  -4.981  -4.981
  180    HA   SER  26           HA       SER  26  10.892  -6.255  -6.255
  181   1HB   SER  26          2HB       SER  26   9.123  -4.555  -4.555
  182   2HB   SER  26          1HB       SER  26   8.515  -5.961  -5.961
  183    HG   SER  26           HG       SER  26  10.016  -5.882  -5.882
  184    H    ASN  27           H        ASN  27  11.774  -3.993  -3.993
  185    HA   ASN  27           HA       ASN  27   9.813  -2.459  -2.459
  186   1HB   ASN  27          2HB       ASN  27  12.388  -2.266  -2.266
  187   2HB   ASN  27          1HB       ASN  27  12.330  -3.542  -3.542
  188   1HD2  ASN  27          2HD2      ASN  27  10.694  -1.451  -1.451
  189   2HD2  ASN  27          1HD2      ASN  27  10.743  -3.056  -3.056
  190    H    LYS  28           H        LYS  28  10.944  -5.661  -5.661
  191    HA   LYS  28           HA       LYS  28   9.265  -6.066  -6.066
  192   1HB   LYS  28          2HB       LYS  28  10.208  -8.484  -8.484
  193   2HB   LYS  28          1HB       LYS  28  11.318  -7.219  -7.219
  194   1HG   LYS  28          2HG       LYS  28  11.056  -7.621  -7.621
  195   2HG   LYS  28          1HG       LYS  28  11.708  -8.993  -8.993
  196   1HD   LYS  28          2HD       LYS  28  13.606  -7.842  -7.842
  197   2HD   LYS  28          1HD       LYS  28  12.838  -6.270  -6.270
  198   1HE   LYS  28          2HE       LYS  28  13.324  -7.855  -7.855
  199   2HE   LYS  28          1HE       LYS  28  14.605  -6.887  -6.887
  200   1HZ   LYS  28          1HZ       LYS  28  12.276  -5.353  -5.353
  201   2HZ   LYS  28          3HZ       LYS  28  12.466  -6.037  -6.037
  202   3HZ   LYS  28          2HZ       LYS  28  13.715  -5.108  -5.108

  Start of MODEL    7
    1   1H    ASP   1          2H        ASP   1 -25.296 -11.696 -11.696
    2   2H    ASP   1          1H        ASP   1 -26.030 -11.095 -11.095
    3   3H    ASP   1          3H        ASP   1 -24.788 -12.249 -12.249
    4    HA   ASP   1           HA       ASP   1 -23.274 -10.681 -10.681
    5   1HB   ASP   1          2HB       ASP   1 -23.976  -8.398  -8.398
    6   2HB   ASP   1          1HB       ASP   1 -25.265  -9.407  -9.407
    7    H    ALA   2           H        ALA   2 -22.289  -8.715  -8.715
    8    HA   ALA   2           HA       ALA   2 -22.035  -9.490  -9.490
    9   1HB   ALA   2          2HB       ALA   2 -20.149  -8.616  -8.616
   10   2HB   ALA   2          1HB       ALA   2 -20.845  -7.021  -7.021
   11   3HB   ALA   2          3HB       ALA   2 -20.215  -7.912  -7.912
   12    H    GLU   3           H        GLU   3 -21.604  -7.194  -7.194
   13    HA   GLU   3           HA       GLU   3 -24.317  -5.951  -5.951
   14   1HB   GLU   3          2HB       GLU   3 -22.011  -6.053  -6.053
   15   2HB   GLU   3          1HB       GLU   3 -23.599  -5.353  -5.353
   16   1HG   GLU   3          2HG       GLU   3 -24.647  -7.571  -7.571
   17   2HG   GLU   3          1HG       GLU   3 -23.082  -8.298  -8.298
   18    H    PHE   4           H        PHE   4 -24.208  -4.302  -4.302
   19    HA   PHE   4           HA       PHE   4 -21.809  -2.599  -2.599
   20   1HB   PHE   4          2HB       PHE   4 -24.523  -2.604  -2.604
   21   2HB   PHE   4          1HB       PHE   4 -23.224  -1.479  -1.479
   22    HD1  PHE   4           HD2      PHE   4 -24.095  -5.108  -5.108
   23    HD2  PHE   4           HD1      PHE   4 -21.313  -2.189  -2.189
   24    HE1  PHE   4           HE2      PHE   4 -22.998  -6.804  -6.804
   25    HE2  PHE   4           HE1      PHE   4 -20.225  -3.893  -3.893
   26    HZ   PHE   4           HZ       PHE   4 -21.065  -6.204  -6.204
   27    H    ARG   5           H        ARG   5 -22.591  -2.526  -2.526
   28    HA   ARG   5           HA       ARG   5 -23.739   0.163   0.163
   29   1HB   ARG   5          2HB       ARG   5 -25.270  -1.911  -1.911
   30   2HB   ARG   5          1HB       ARG   5 -24.242  -2.077  -2.077
   31   1HG   ARG   5          2HG       ARG   5 -24.634   0.358   0.358
   32   2HG   ARG   5          1HG       ARG   5 -25.772   0.391   0.391
   33   1HD   ARG   5          2HD       ARG   5 -26.024  -1.536  -1.536
   34   2HD   ARG   5          1HD       ARG   5 -26.842   0.019   0.019
   35    HE   ARG   5           HE       ARG   5 -27.643  -2.368  -2.368
   36   1HH1  ARG   5          1HH2      ARG   5 -27.558   1.088   1.088
   37   2HH1  ARG   5          2HH2      ARG   5 -28.934   1.179   1.179
   38   1HH2  ARG   5          2HH1      ARG   5 -29.390  -2.281  -2.281
   39   2HH2  ARG   5          1HH1      ARG   5 -29.986  -0.759  -0.759
   40    H    HIS   6           H        HIS   6 -21.231  -0.097  -0.097
   41    HA   HIS   6           HA       HIS   6 -19.094   0.248   0.248
   42   1HB   HIS   6          2HB       HIS   6 -20.549   1.439   1.439
   43   2HB   HIS   6          1HB       HIS   6 -19.020   1.956   1.956
   44    HD1  HIS   6           HD1      HIS   6 -19.340   2.980   2.980
   45    HD2  HIS   6           HD2      HIS   6 -22.764   2.734   2.734
   46    HE1  HIS   6           HE1      HIS   6 -20.984   4.454   4.454
   47    H    ASP   7           H        ASP   7 -20.049  -2.326  -2.326
   48    HA   ASP   7           HA       ASP   7 -19.534  -3.076  -3.076
   49   1HB   ASP   7          2HB       ASP   7 -19.924  -4.748  -4.748
   50   2HB   ASP   7          1HB       ASP   7 -19.875  -5.398  -5.398
   51    H    SER   8           H        SER   8 -17.436  -2.146  -2.146
   52    HA   SER   8           HA       SER   8 -15.205  -2.977  -2.977
   53   1HB   SER   8          2HB       SER   8 -15.218  -0.912  -0.912
   54   2HB   SER   8          1HB       SER   8 -15.165  -1.965  -1.965
   55    HG   SER   8           HG       SER   8 -13.173  -1.239  -1.239
   56    H    GLY   9           H        GLY   9 -16.790  -4.322  -4.322
   57   1HA   GLY   9          2HA       GLY   9 -16.681  -6.487  -6.487
   58   2HA   GLY   9          1HA       GLY   9 -15.450  -6.894  -6.894
   59    H    TYR  10           H        TYR  10 -14.119  -4.267  -4.267
   60    HA   TYR  10           HA       TYR  10 -13.301  -5.041  -5.041
   61   1HB   TYR  10          2HB       TYR  10 -11.999  -6.519  -6.519
   62   2HB   TYR  10          1HB       TYR  10 -10.917  -5.143  -5.143
   63    HD1  TYR  10           HD1      TYR  10 -12.428  -7.934  -7.934
   64    HD2  TYR  10           HD2      TYR  10  -9.643  -4.714  -4.714
   65    HE1  TYR  10           HE1      TYR  10 -11.512  -8.839  -8.839
   66    HE2  TYR  10           HE2      TYR  10  -8.729  -5.620  -5.620
   67    HH   TYR  10           HH       TYR  10  -9.592  -7.116  -7.116
   68    H    GLU  11           H        GLU  11 -11.593  -3.778  -3.778
   69    HA   GLU  11           HA       GLU  11 -10.524  -1.401  -1.401
   70   1HB   GLU  11          2HB       GLU  11 -12.930  -0.591  -0.591
   71   2HB   GLU  11          1HB       GLU  11 -12.899  -1.035  -1.035
   72   1HG   GLU  11          2HG       GLU  11 -10.716   0.578   0.578
   73   2HG   GLU  11          1HG       GLU  11 -11.483   1.237   1.237
   74    H    VAL  12           H        VAL  12  -8.719  -1.830  -1.830
   75    HA   VAL  12           HA       VAL  12  -8.272  -2.945  -2.945
   76    HB   VAL  12           HB       VAL  12  -6.505  -1.358  -1.358
   77   1HG1  VAL  12          2HG1      VAL  12  -5.643  -1.774  -1.774
   78   2HG1  VAL  12          1HG1      VAL  12  -5.658  -3.484  -3.484
   79   3HG1  VAL  12          3HG1      VAL  12  -4.591  -2.400  -2.400
   80   1HG2  VAL  12          1HG2      VAL  12  -6.996  -4.362  -4.362
   81   2HG2  VAL  12          3HG2      VAL  12  -7.404  -3.295  -3.295
   82   3HG2  VAL  12          2HG2      VAL  12  -5.724  -3.627  -3.627
   83    H    HIS  13           H        HIS  13  -8.496   0.252   0.252
   84    HA   HIS  13           HA       HIS  13  -8.698   2.344   2.344
   85   1HB   HIS  13          2HB       HIS  13 -10.316   0.792   0.792
   86   2HB   HIS  13          1HB       HIS  13  -9.191   1.209   1.209
   87    HD1  HIS  13           HD1      HIS  13  -8.946   4.142   4.142
   88    HD2  HIS  13           HD2      HIS  13 -12.171   2.481   2.481
   89    HE1  HIS  13           HE1      HIS  13 -10.478   6.003   6.003
   90    H    HIS  14           H        HIS  14  -6.112   0.531   0.531
   91    HA   HIS  14           HA       HIS  14  -4.579   2.762   2.762
   92   1HB   HIS  14          2HB       HIS  14  -3.828   1.510   1.510
   93   2HB   HIS  14          1HB       HIS  14  -5.398   2.289   2.289
   94    HD1  HIS  14           HD1      HIS  14  -4.201  -1.162  -1.162
   95    HD2  HIS  14           HD2      HIS  14  -7.295   0.612   0.612
   96    HE1  HIS  14           HE1      HIS  14  -5.648  -2.990  -2.990
   97    H    GLN  15           H        GLN  15  -2.417   2.477   2.477
   98    HA   GLN  15           HA       GLN  15  -1.179  -0.117  -0.117
   99   1HB   GLN  15          2HB       GLN  15  -0.598   0.169   0.169
  100   2HB   GLN  15          1HB       GLN  15  -2.326   0.064   0.064
  101   1HG   GLN  15          2HG       GLN  15  -2.535   2.024   2.024
  102   2HG   GLN  15          1HG       GLN  15  -1.794   2.849   2.849
  103   1HE2  GLN  15          2HE2      GLN  15   1.289   3.362   3.362
  104   2HE2  GLN  15          1HE2      GLN  15   0.432   3.483   3.483
  105    H    PHE  16           H        PHE  16  -0.889   2.389   2.389
  106    HA   PHE  16           HA       PHE  16   1.415   3.832   3.832
  107   1HB   PHE  16          2HB       PHE  16   0.031   4.892   4.892
  108   2HB   PHE  16          1HB       PHE  16   0.131   3.508   3.508
  109    HD1  PHE  16           HD1      PHE  16   2.150   6.267   6.267
  110    HD2  PHE  16           HD2      PHE  16   1.915   3.337   3.337
  111    HE1  PHE  16           HE1      PHE  16   4.107   7.259   7.259
  112    HE2  PHE  16           HE2      PHE  16   3.871   4.333   4.333
  113    HZ   PHE  16           HZ       PHE  16   4.971   6.295   6.295
  114    H    LEU  17           H        LEU  17   1.012   1.215   1.215
  115    HA   LEU  17           HA       LEU  17   3.713   0.899   0.899
  116   1HB   LEU  17          2HB       LEU  17   1.586  -1.271  -1.271
  117   2HB   LEU  17          1HB       LEU  17   3.011  -1.345  -1.345
  118    HG   LEU  17           HG       LEU  17   1.796   1.063   1.063
  119   1HD1  LEU  17          1HD1      LEU  17  -0.262   0.472   0.472
  120   2HD1  LEU  17          3HD1      LEU  17  -0.396  -1.022  -1.022
  121   3HD1  LEU  17          2HD1      LEU  17  -0.576   0.525   0.525
  122   1HD2  LEU  17          2HD2      LEU  17   1.459  -1.717  -1.717
  123   2HD2  LEU  17          1HD2      LEU  17   2.804  -0.625  -0.625
  124   3HD2  LEU  17          3HD2      LEU  17   1.194  -0.202  -0.202
  125    H    VAL  18           H        VAL  18   1.817  -0.302  -0.302
  126    HA   VAL  18           HA       VAL  18   3.815  -2.045  -2.045
  127    HB   VAL  18           HB       VAL  18   1.241  -0.856  -0.856
  128   1HG1  VAL  18          1HG1      VAL  18   3.288  -2.582  -2.582
  129   2HG1  VAL  18          3HG1      VAL  18   1.593  -2.911  -2.911
  130   3HG1  VAL  18          2HG1      VAL  18   2.263  -1.332  -1.332
  131   1HG2  VAL  18          2HG2      VAL  18   2.125  -3.496  -3.496
  132   2HG2  VAL  18          1HG2      VAL  18   0.887  -2.400  -2.400
  133   3HG2  VAL  18          3HG2      VAL  18   0.607  -3.345  -3.345
  134    H    PHE  19           H        PHE  19   2.897   1.251   1.251
  135    HA   PHE  19           HA       PHE  19   4.503   1.717   1.717
  136   1HB   PHE  19          2HB       PHE  19   3.057   3.536   3.536
  137   2HB   PHE  19          1HB       PHE  19   3.184   3.426   3.426
  138    HD1  PHE  19           HD1      PHE  19   5.475   4.150   4.150
  139    HD2  PHE  19           HD2      PHE  19   4.252   5.230   5.230
  140    HE1  PHE  19           HE1      PHE  19   7.081   6.003   6.003
  141    HE2  PHE  19           HE2      PHE  19   5.860   7.081   7.081
  142    HZ   PHE  19           HZ       PHE  19   7.278   7.471   7.471
  143    H    PHE  20           H        PHE  20   5.071   2.075   2.075
  144    HA   PHE  20           HA       PHE  20   7.773   2.936   2.936
  145   1HB   PHE  20          2HB       PHE  20   5.881   1.892   1.892
  146   2HB   PHE  20          1HB       PHE  20   7.513   1.327   1.327
  147    HD1  PHE  20           HD1      PHE  20   5.901   4.509   4.509
  148    HD2  PHE  20           HD2      PHE  20   8.758   2.711   2.711
  149    HE1  PHE  20           HE1      PHE  20   6.463   6.718   6.718
  150    HE2  PHE  20           HE2      PHE  20   9.316   4.919   4.919
  151    HZ   PHE  20           HZ       PHE  20   8.172   6.927   6.927
  152    H    ALA  21           H        ALA  21   6.303  -0.214  -0.214
  153    HA   ALA  21           HA       ALA  21   8.702  -1.715  -1.715
  154   1HB   ALA  21          1HB       ALA  21   6.552  -2.506  -2.506
  155   2HB   ALA  21          3HB       ALA  21   5.850  -2.397  -2.397
  156   3HB   ALA  21          2HB       ALA  21   7.084  -3.602  -3.602
  157    H    GLU  22           H        GLU  22   7.999   0.219   0.219
  158    HA   GLU  22           HA       GLU  22   8.995  -1.545  -1.545
  159   1HB   GLU  22          2HB       GLU  22   6.746   0.496   0.496
  160   2HB   GLU  22          1HB       GLU  22   7.573   0.022   0.022
  161   1HG   GLU  22          2HG       GLU  22   6.251  -1.948  -1.948
  162   2HG   GLU  22          1HG       GLU  22   5.502  -1.351  -1.351
  163    H    ASP  23           H        ASP  23   9.792   0.987   0.987
  164    HA   ASP  23           HA       ASP  23  11.659   2.084   2.084
  165   1HB   ASP  23          2HB       ASP  23  11.084   4.097   4.097
  166   2HB   ASP  23          1HB       ASP  23  10.916   4.246   4.246
  167    H    VAL  24           H        VAL  24  10.788   1.412   1.412
  168    HA   VAL  24           HA       VAL  24  13.441   1.805   1.805
  169    HB   VAL  24           HB       VAL  24  11.106   0.396   0.396
  170   1HG1  VAL  24          1HG1      VAL  24  13.200   0.413   0.413
  171   2HG1  VAL  24          3HG1      VAL  24  13.265   2.170   2.170
  172   3HG1  VAL  24          2HG1      VAL  24  11.990   1.381   1.381
  173   1HG2  VAL  24          2HG2      VAL  24  10.491   2.804   2.804
  174   2HG2  VAL  24          1HG2      VAL  24   9.908   2.296   2.296
  175   3HG2  VAL  24          3HG2      VAL  24  11.290   3.371   3.371
  176    H    GLY  25           H        GLY  25  11.114  -0.606  -0.606
  177   1HA   GLY  25          2HA       GLY  25  13.189  -2.764  -2.764
  178   2HA   GLY  25          1HA       GLY  25  11.591  -3.061  -3.061
  179    H    SER  26           H        SER  26  11.515  -4.687  -4.687
  180    HA   SER  26           HA       SER  26  10.095  -3.694  -3.694
  181   1HB   SER  26          2HB       SER  26  11.656  -5.087  -5.087
  182   2HB   SER  26          1HB       SER  26  12.417  -3.641  -3.641
  183    HG   SER  26           HG       SER  26  13.029  -6.218  -6.218
  184    H    ASN  27           H        ASN  27   8.679  -4.745  -4.745
  185    HA   ASN  27           HA       ASN  27   8.293  -7.620  -7.620
  186   1HB   ASN  27          2HB       ASN  27   7.773  -8.102  -8.102
  187   2HB   ASN  27          1HB       ASN  27   9.442  -7.610  -7.610
  188   1HD2  ASN  27          2HD2      ASN  27   8.977  -4.394  -4.394
  189   2HD2  ASN  27          1HD2      ASN  27   9.860  -5.172  -5.172
  190    H    LYS  28           H        LYS  28   7.007  -4.615  -4.615
  191    HA   LYS  28           HA       LYS  28   4.881  -3.741  -3.741
  192   1HB   LYS  28          2HB       LYS  28   4.133  -6.659  -6.659
  193   2HB   LYS  28          1HB       LYS  28   3.129  -5.274  -5.274
  194   1HG   LYS  28          2HG       LYS  28   4.060  -5.279  -5.279
  195   2HG   LYS  28          1HG       LYS  28   5.368  -4.433  -4.433
  196   1HD   LYS  28          2HD       LYS  28   6.650  -6.112  -6.112
  197   2HD   LYS  28          1HD       LYS  28   6.170  -7.018  -7.018
  198   1HE   LYS  28          2HE       LYS  28   4.531  -7.062  -7.062
  199   2HE   LYS  28          1HE       LYS  28   5.827  -8.200  -8.200
  200   1HZ   LYS  28          2HZ       LYS  28   4.202  -8.114  -8.114
  201   2HZ   LYS  28          1HZ       LYS  28   3.193  -8.278  -8.278
  202   3HZ   LYS  28          3HZ       LYS  28   4.440  -9.397  -9.397

  Start of MODEL    8
    1   1H    ASP   1          2H        ASP   1 -18.131 -10.160 -10.160
    2   2H    ASP   1          1H        ASP   1 -19.035 -11.586 -11.586
    3   3H    ASP   1          3H        ASP   1 -17.552 -11.609 -11.609
    4    HA   ASP   1           HA       ASP   1 -18.549 -11.183 -11.183
    5   1HB   ASP   1          2HB       ASP   1 -21.091 -10.897 -10.897
    6   2HB   ASP   1          1HB       ASP   1 -21.059 -11.074 -11.074
    7    H    ALA   2           H        ALA   2 -18.457  -9.451  -9.451
    8    HA   ALA   2           HA       ALA   2 -18.314  -7.241  -7.241
    9   1HB   ALA   2          3HB       ALA   2 -20.835  -7.531  -7.531
   10   2HB   ALA   2          2HB       ALA   2 -20.663  -6.773  -6.773
   11   3HB   ALA   2          1HB       ALA   2 -20.274  -5.872  -5.872
   12    H    GLU   3           H        GLU   3 -16.304  -7.308  -7.308
   13    HA   GLU   3           HA       GLU   3 -16.169  -5.853  -5.853
   14   1HB   GLU   3          2HB       GLU   3 -14.193  -7.301  -7.301
   15   2HB   GLU   3          1HB       GLU   3 -13.599  -6.278  -6.278
   16   1HG   GLU   3          2HG       GLU   3 -13.874  -8.743  -8.743
   17   2HG   GLU   3          1HG       GLU   3 -14.641  -7.603  -7.603
   18    H    PHE   4           H        PHE   4 -17.312  -4.350  -4.350
   19    HA   PHE   4           HA       PHE   4 -15.759  -1.940  -1.940
   20   1HB   PHE   4          2HB       PHE   4 -15.912  -1.757  -1.757
   21   2HB   PHE   4          1HB       PHE   4 -14.668  -2.818  -2.818
   22    HD1  PHE   4           HD1      PHE   4 -18.112  -2.773  -2.773
   23    HD2  PHE   4           HD2      PHE   4 -14.761  -5.194  -5.194
   24    HE1  PHE   4           HE1      PHE   4 -19.111  -4.674  -4.674
   25    HE2  PHE   4           HE2      PHE   4 -15.766  -7.090  -7.090
   26    HZ   PHE   4           HZ       PHE   4 -17.943  -6.836  -6.836
   27    H    ARG   5           H        ARG   5 -18.317  -3.280  -3.280
   28    HA   ARG   5           HA       ARG   5 -20.340  -1.758  -1.758
   29   1HB   ARG   5          2HB       ARG   5 -20.742  -4.086  -4.086
   30   2HB   ARG   5          1HB       ARG   5 -20.558  -3.540  -3.540
   31   1HG   ARG   5          2HG       ARG   5 -22.623  -2.467  -2.467
   32   2HG   ARG   5          1HG       ARG   5 -22.555  -2.037  -2.037
   33   1HD   ARG   5          2HD       ARG   5 -22.963  -4.508  -4.508
   34   2HD   ARG   5          1HD       ARG   5 -23.219  -4.769  -4.769
   35    HE   ARG   5           HE       ARG   5 -25.315  -3.758  -3.758
   36   1HH1  ARG   5          1HH2      ARG   5 -23.338  -2.927  -2.927
   37   2HH1  ARG   5          2HH2      ARG   5 -24.628  -2.131  -2.131
   38   1HH2  ARG   5          2HH1      ARG   5 -26.958  -2.757  -2.757
   39   2HH2  ARG   5          1HH1      ARG   5 -26.708  -2.032  -2.032
   40    H    HIS   6           H        HIS   6 -19.402   0.255   0.255
   41    HA   HIS   6           HA       HIS   6 -19.397   2.348   2.348
   42   1HB   HIS   6          2HB       HIS   6 -21.287   1.241   1.241
   43   2HB   HIS   6          1HB       HIS   6 -21.166   2.886   2.886
   44    HD1  HIS   6           HD1      HIS   6 -22.847  -0.258  -0.258
   45    HD2  HIS   6           HD2      HIS   6 -22.217   3.250   3.250
   46    HE1  HIS   6           HE1      HIS   6 -24.436  -0.235  -0.235
   47    H    ASP   7           H        ASP   7 -17.230   1.708   1.708
   48    HA   ASP   7           HA       ASP   7 -16.450   0.807   0.807
   49   1HB   ASP   7          2HB       ASP   7 -14.180   0.813   0.813
   50   2HB   ASP   7          1HB       ASP   7 -15.251   0.174   0.174
   51    H    SER   8           H        SER   8 -17.907   3.253   3.253
   52    HA   SER   8           HA       SER   8 -18.032   5.335   5.335
   53   1HB   SER   8          2HB       SER   8 -15.328   4.718   4.718
   54   2HB   SER   8          1HB       SER   8 -16.599   5.790   5.790
   55    HG   SER   8           HG       SER   8 -17.672   3.407   3.407
   56    H    GLY   9           H        GLY   9 -16.075   4.660   4.660
   57   1HA   GLY   9          2HA       GLY   9 -15.585   7.372   7.372
   58   2HA   GLY   9          1HA       GLY   9 -14.085   6.638   6.638
   59    H    TYR  10           H        TYR  10 -13.032   5.243   5.243
   60    HA   TYR  10           HA       TYR  10 -14.246   3.867   3.867
   61   1HB   TYR  10          2HB       TYR  10 -13.495   6.485   6.485
   62   2HB   TYR  10          1HB       TYR  10 -12.048   5.597   5.597
   63    HD1  TYR  10           HD1      TYR  10 -15.625   6.076   6.076
   64    HD2  TYR  10           HD2      TYR  10 -12.121   3.912   3.912
   65    HE1  TYR  10           HE1      TYR  10 -16.727   5.326   5.326
   66    HE2  TYR  10           HE2      TYR  10 -13.226   3.163   3.163
   67    HH   TYR  10           HH       TYR  10 -16.054   2.906   2.906
   68    H    GLU  11           H        GLU  11 -12.749   2.603   2.603
   69    HA   GLU  11           HA       GLU  11 -10.026   2.194   2.194
   70   1HB   GLU  11          2HB       GLU  11 -11.163   1.068   1.068
   71   2HB   GLU  11          1HB       GLU  11 -12.196   0.180   0.180
   72   1HG   GLU  11          2HG       GLU  11 -10.265  -1.192  -1.192
   73   2HG   GLU  11          1HG       GLU  11 -10.284  -1.087  -1.087
   74    H    VAL  12           H        VAL  12  -9.274   2.097   2.097
   75    HA   VAL  12           HA       VAL  12 -10.627   0.731   0.731
   76    HB   VAL  12           HB       VAL  12  -8.085   2.279   2.279
   77   1HG1  VAL  12          3HG1      VAL  12  -8.004   0.610   0.610
   78   2HG1  VAL  12          2HG1      VAL  12  -9.438   1.378   1.378
   79   3HG1  VAL  12          1HG1      VAL  12  -7.934   2.276   2.276
   80   1HG2  VAL  12          3HG2      VAL  12 -10.799   3.015   3.015
   81   2HG2  VAL  12          2HG2      VAL  12 -10.014   3.712   3.712
   82   3HG2  VAL  12          1HG2      VAL  12  -9.367   4.014   4.014
   83    H    HIS  13           H        HIS  13  -7.505   0.720   0.720
   84    HA   HIS  13           HA       HIS  13  -7.213  -2.079  -2.079
   85   1HB   HIS  13          2HB       HIS  13  -5.326  -2.438  -2.438
   86   2HB   HIS  13          1HB       HIS  13  -6.910  -2.278  -2.278
   87    HD1  HIS  13           HD1      HIS  13  -6.085   1.039   1.039
   88    HD2  HIS  13           HD2      HIS  13  -4.783  -1.506  -1.506
   89    HE1  HIS  13           HE1      HIS  13  -5.099   2.450   2.450
   90    H    HIS  14           H        HIS  14  -6.037   1.097   1.097
   91    HA   HIS  14           HA       HIS  14  -4.281   2.270   2.270
   92   1HB   HIS  14          2HB       HIS  14  -5.121   0.307   0.307
   93   2HB   HIS  14          1HB       HIS  14  -4.017   1.642   1.642
   94    HD1  HIS  14           HD1      HIS  14  -6.793   2.258   2.258
   95    HD2  HIS  14           HD2      HIS  14  -6.022   2.904   2.904
   96    HE1  HIS  14           HE1      HIS  14  -8.523   3.824   3.824
   97    H    GLN  15           H        GLN  15  -3.223   0.919   0.919
   98    HA   GLN  15           HA       GLN  15  -1.148  -0.918  -0.918
   99   1HB   GLN  15          2HB       GLN  15  -0.692  -1.162  -1.162
  100   2HB   GLN  15          1HB       GLN  15  -2.425  -1.106  -1.106
  101   1HG   GLN  15          2HG       GLN  15  -2.315   0.405   0.405
  102   2HG   GLN  15          1HG       GLN  15  -2.054   1.544   1.544
  103   1HE2  GLN  15          2HE2      GLN  15   1.085   2.451   2.451
  104   2HE2  GLN  15          1HE2      GLN  15  -0.283   2.869   2.869
  105    H    PHE  16           H        PHE  16  -1.125   1.834   1.834
  106    HA   PHE  16           HA       PHE  16   0.920   3.414   3.414
  107   1HB   PHE  16          2HB       PHE  16  -0.306   4.482   4.482
  108   2HB   PHE  16          1HB       PHE  16  -0.251   3.098   3.098
  109    HD1  PHE  16           HD1      PHE  16   1.773   5.927   5.927
  110    HD2  PHE  16           HD2      PHE  16   1.480   2.894   2.894
  111    HE1  PHE  16           HE1      PHE  16   3.647   6.938   6.938
  112    HE2  PHE  16           HE2      PHE  16   3.354   3.908   3.908
  113    HZ   PHE  16           HZ       PHE  16   4.439   5.930   5.930
  114    H    LEU  17           H        LEU  17   1.099   0.742   0.742
  115    HA   LEU  17           HA       LEU  17   3.854   0.863   0.863
  116   1HB   LEU  17          2HB       LEU  17   2.097  -1.608  -1.608
  117   2HB   LEU  17          1HB       LEU  17   3.582  -1.517  -1.517
  118    HG   LEU  17           HG       LEU  17   2.031   0.625   0.625
  119   1HD1  LEU  17          1HD1      LEU  17   0.033  -0.312  -0.312
  120   2HD1  LEU  17          3HD1      LEU  17   0.244  -1.825  -1.825
  121   3HD1  LEU  17          2HD1      LEU  17  -0.160  -0.359  -0.359
  122   1HD2  LEU  17          3HD2      LEU  17   2.325  -2.204  -2.204
  123   2HD2  LEU  17          2HD2      LEU  17   3.459  -0.884  -0.884
  124   3HD2  LEU  17          1HD2      LEU  17   1.849  -0.795  -0.795
  125    H    VAL  18           H        VAL  18   2.044  -0.618  -0.618
  126    HA   VAL  18           HA       VAL  18   4.246  -1.895  -1.895
  127    HB   VAL  18           HB       VAL  18   1.547  -1.060  -1.060
  128   1HG1  VAL  18          3HG1      VAL  18   3.536  -3.155  -3.155
  129   2HG1  VAL  18          2HG1      VAL  18   1.938  -2.879  -2.879
  130   3HG1  VAL  18          1HG1      VAL  18   3.172  -1.644  -1.644
  131   1HG2  VAL  18          3HG2      VAL  18   2.548  -3.560  -3.560
  132   2HG2  VAL  18          2HG2      VAL  18   1.284  -2.477  -2.477
  133   3HG2  VAL  18          1HG2      VAL  18   1.012  -3.486  -3.486
  134    H    PHE  19           H        PHE  19   2.643   1.160   1.160
  135    HA   PHE  19           HA       PHE  19   3.913   2.103   2.103
  136   1HB   PHE  19          2HB       PHE  19   2.462   3.791   3.791
  137   2HB   PHE  19          1HB       PHE  19   2.530   3.322   3.322
  138    HD1  PHE  19           HD2      PHE  19   4.500   5.140   5.140
  139    HD2  PHE  19           HD1      PHE  19   3.669   4.739   4.739
  140    HE1  PHE  19           HE2      PHE  19   5.870   7.118   7.118
  141    HE2  PHE  19           HE1      PHE  19   5.037   6.712   6.712
  142    HZ   PHE  19           HZ       PHE  19   6.144   7.907   7.907
  143    H    PHE  20           H        PHE  20   5.043   2.079   2.079
  144    HA   PHE  20           HA       PHE  20   7.586   3.317   3.317
  145   1HB   PHE  20          2HB       PHE  20   6.126   2.305   2.305
  146   2HB   PHE  20          1HB       PHE  20   7.838   1.965   1.965
  147    HD1  PHE  20           HD1      PHE  20   9.163   4.264   4.264
  148    HD2  PHE  20           HD2      PHE  20   5.643   4.178   4.178
  149    HE1  PHE  20           HE1      PHE  20   9.568   6.580   6.580
  150    HE2  PHE  20           HE2      PHE  20   6.061   6.507   6.507
  151    HZ   PHE  20           HZ       PHE  20   8.018   7.707   7.707
  152    H    ALA  21           H        ALA  21   6.504   0.044   0.044
  153    HA   ALA  21           HA       ALA  21   8.828  -1.405  -1.405
  154   1HB   ALA  21          3HB       ALA  21   6.501  -2.261  -2.261
  155   2HB   ALA  21          2HB       ALA  21   6.280  -2.220  -2.220
  156   3HB   ALA  21          1HB       ALA  21   7.476  -3.296  -3.296
  157    H    GLU  22           H        GLU  22   7.062  -0.434  -0.434
  158    HA   GLU  22           HA       GLU  22   8.514  -1.654  -1.654
  159   1HB   GLU  22          2HB       GLU  22   7.211   1.099   1.099
  160   2HB   GLU  22          1HB       GLU  22   7.634   0.162   0.162
  161   1HG   GLU  22          2HG       GLU  22   5.301  -0.131  -0.131
  162   2HG   GLU  22          1HG       GLU  22   5.421  -0.433  -0.433
  163    H    ASP  23           H        ASP  23   9.669   0.812   0.812
  164    HA   ASP  23           HA       ASP  23  12.142   1.005   1.005
  165   1HB   ASP  23          2HB       ASP  23  10.391   2.858   2.858
  166   2HB   ASP  23          1HB       ASP  23  10.733   3.540   3.540
  167    H    VAL  24           H        VAL  24  11.280  -0.188  -0.188
  168    HA   VAL  24           HA       VAL  24  13.130   1.166   1.166
  169    HB   VAL  24           HB       VAL  24  10.371   0.103   0.103
  170   1HG1  VAL  24          3HG1      VAL  24  12.514   0.618   0.618
  171   2HG1  VAL  24          2HG1      VAL  24  10.802   0.580   0.580
  172   3HG1  VAL  24          1HG1      VAL  24  11.583  -0.857  -0.857
  173   1HG2  VAL  24          1HG2      VAL  24  10.772   2.584   2.584
  174   2HG2  VAL  24          3HG2      VAL  24   9.896   2.294   2.294
  175   3HG2  VAL  24          2HG2      VAL  24  11.592   2.730   2.730
  176    H    GLY  25           H        GLY  25  11.669  -1.759  -1.759
  177   1HA   GLY  25          2HA       GLY  25  13.083  -3.609  -3.609
  178   2HA   GLY  25          1HA       GLY  25  12.195  -4.017  -4.017
  179    H    SER  26           H        SER  26  15.207  -2.643  -2.643
  180    HA   SER  26           HA       SER  26  16.626  -2.702  -2.702
  181   1HB   SER  26          2HB       SER  26  17.683  -2.667  -2.667
  182   2HB   SER  26          1HB       SER  26  18.626  -2.257  -2.257
  183    HG   SER  26           HG       SER  26  16.839  -0.768  -0.768
  184    H    ASN  27           H        ASN  27  15.837  -5.134  -5.134
  185    HA   ASN  27           HA       ASN  27  16.236  -7.409  -7.409
  186   1HB   ASN  27          2HB       ASN  27  16.002  -7.049  -7.049
  187   2HB   ASN  27          1HB       ASN  27  17.748  -7.233  -7.233
  188   1HD2  ASN  27          2HD2      ASN  27  15.419 -10.467 -10.467
  189   2HD2  ASN  27          1HD2      ASN  27  14.779  -8.902  -8.902
  190    H    LYS  28           H        LYS  28  18.535  -5.183  -5.183
  191    HA   LYS  28           HA       LYS  28  20.374  -6.874  -6.874
  192   1HB   LYS  28          2HB       LYS  28  22.390  -6.345  -6.345
  193   2HB   LYS  28          1HB       LYS  28  21.269  -7.489  -7.489
  194   1HG   LYS  28          2HG       LYS  28  20.498  -4.761  -4.761
  195   2HG   LYS  28          1HG       LYS  28  22.188  -5.029  -5.029
  196   1HD   LYS  28          2HD       LYS  28  21.651  -7.035  -7.035
  197   2HD   LYS  28          1HD       LYS  28  19.967  -6.935  -6.935
  198   1HE   LYS  28          2HE       LYS  28  20.437  -4.396  -4.396
  199   2HE   LYS  28          1HE       LYS  28  21.418  -5.449  -5.449
  200   1HZ   LYS  28          2HZ       LYS  28  18.958  -6.697  -6.697
  201   2HZ   LYS  28          1HZ       LYS  28  18.655  -5.089  -5.089
  202   3HZ   LYS  28          3HZ       LYS  28  19.604  -6.083  -6.083

  Start of MODEL    9
    1   1H    ASP   1          3H        ASP   1 -13.577 -14.810 -14.810
    2   2H    ASP   1          2H        ASP   1 -13.302 -16.385 -16.385
    3   3H    ASP   1          1H        ASP   1 -14.660 -15.516 -15.516
    4    HA   ASP   1           HA       ASP   1 -13.545 -14.697 -14.697
    5   1HB   ASP   1          2HB       ASP   1 -11.139 -16.130 -16.130
    6   2HB   ASP   1          1HB       ASP   1 -11.183 -15.483 -15.483
    7    H    ALA   2           H        ALA   2 -12.380 -12.903 -12.903
    8    HA   ALA   2           HA       ALA   2 -10.608 -11.491 -11.491
    9   1HB   ALA   2          1HB       ALA   2 -13.297 -10.309 -10.309
   10   2HB   ALA   2          3HB       ALA   2 -12.031  -9.416  -9.416
   11   3HB   ALA   2          2HB       ALA   2 -12.831 -10.759 -10.759
   12    H    GLU   3           H        GLU   3  -9.099 -10.478 -10.478
   13    HA   GLU   3           HA       GLU   3  -9.320 -10.348 -10.348
   14   1HB   GLU   3          2HB       GLU   3  -6.908  -9.831  -9.831
   15   2HB   GLU   3          1HB       GLU   3  -7.246 -11.177 -11.177
   16   1HG   GLU   3          2HG       GLU   3  -6.152 -10.019 -10.019
   17   2HG   GLU   3          1HG       GLU   3  -7.565  -8.988  -8.988
   18    H    PHE   4           H        PHE   4 -10.782  -8.582  -8.582
   19    HA   PHE   4           HA       PHE   4 -11.536  -6.382  -6.382
   20   1HB   PHE   4          2HB       PHE   4 -10.385  -6.074  -6.074
   21   2HB   PHE   4          1HB       PHE   4 -11.787  -5.263  -5.263
   22    HD1  PHE   4           HD2      PHE   4 -13.820  -6.706  -6.706
   23    HD2  PHE   4           HD1      PHE   4 -10.622  -8.206  -8.206
   24    HE1  PHE   4           HE2      PHE   4 -15.250  -8.545  -8.545
   25    HE2  PHE   4           HE1      PHE   4 -12.057 -10.041 -10.041
   26    HZ   PHE   4           HZ       PHE   4 -14.373 -10.216 -10.216
   27    H    ARG   5           H        ARG   5  -9.475  -6.495  -6.495
   28    HA   ARG   5           HA       ARG   5  -7.315  -4.719  -4.719
   29   1HB   ARG   5          2HB       ARG   5  -7.310  -6.845  -6.845
   30   2HB   ARG   5          1HB       ARG   5  -7.809  -5.729  -5.729
   31   1HG   ARG   5          2HG       ARG   5  -5.805  -4.472  -4.472
   32   2HG   ARG   5          1HG       ARG   5  -5.429  -5.040  -5.040
   33   1HD   ARG   5          2HD       ARG   5  -5.572  -7.151  -7.151
   34   2HD   ARG   5          1HD       ARG   5  -4.202  -6.048  -6.048
   35    HE   ARG   5           HE       ARG   5  -4.498  -6.941  -6.941
   36   1HH1  ARG   5          1HH2      ARG   5  -3.692  -8.122  -8.122
   37   2HH1  ARG   5          2HH2      ARG   5  -2.652  -9.368  -9.368
   38   1HH2  ARG   5          2HH1      ARG   5  -3.168  -8.524  -8.524
   39   2HH2  ARG   5          1HH1      ARG   5  -2.357  -9.603  -9.603
   40    H    HIS   6           H        HIS   6  -8.969  -3.057  -3.057
   41    HA   HIS   6           HA       HIS   6  -8.872  -0.973  -0.973
   42   1HB   HIS   6          2HB       HIS   6 -11.418  -2.555  -2.555
   43   2HB   HIS   6          1HB       HIS   6 -11.610  -0.811  -0.811
   44    HD1  HIS   6           HD1      HIS   6 -10.075   0.143   0.143
   45    HD2  HIS   6           HD2      HIS   6 -11.618  -3.630  -3.630
   46    HE1  HIS   6           HE1      HIS   6 -10.125  -0.442  -0.442
   47    H    ASP   7           H        ASP   7 -10.972  -1.925  -1.925
   48    HA   ASP   7           HA       ASP   7 -11.512  -0.946  -0.946
   49   1HB   ASP   7          2HB       ASP   7  -9.182  -1.671  -1.671
   50   2HB   ASP   7          1HB       ASP   7  -8.543  -0.183  -0.183
   51    H    SER   8           H        SER   8 -12.545   0.431   0.431
   52    HA   SER   8           HA       SER   8 -11.795   3.094   3.094
   53   1HB   SER   8          2HB       SER   8 -14.292   3.414   3.414
   54   2HB   SER   8          1HB       SER   8 -13.555   2.009   2.009
   55    HG   SER   8           HG       SER   8 -14.863   0.824   0.824
   56    H    GLY   9           H        GLY   9 -13.511   1.698   1.698
   57   1HA   GLY   9          2HA       GLY   9 -14.191   4.307   4.307
   58   2HA   GLY   9          1HA       GLY   9 -14.650   2.726   2.726
   59    H    TYR  10           H        TYR  10 -11.358   3.046   3.046
   60    HA   TYR  10           HA       TYR  10  -9.400   3.092   3.092
   61   1HB   TYR  10          2HB       TYR  10  -9.275   5.141   5.141
   62   2HB   TYR  10          1HB       TYR  10 -11.014   5.254   5.254
   63    HD1  TYR  10           HD1      TYR  10  -7.891   4.355   4.355
   64    HD2  TYR  10           HD2      TYR  10 -12.099   4.847   4.847
   65    HE1  TYR  10           HE1      TYR  10  -7.651   4.266   4.266
   66    HE2  TYR  10           HE2      TYR  10 -11.853   4.754   4.754
   67    HH   TYR  10           HH       TYR  10 -10.104   3.701   3.701
   68    H    GLU  11           H        GLU  11  -8.277   2.322   2.322
   69    HA   GLU  11           HA       GLU  11  -9.333   1.043   1.043
   70   1HB   GLU  11          2HB       GLU  11 -10.252  -0.667  -0.667
   71   2HB   GLU  11          1HB       GLU  11  -8.684  -0.795  -0.795
   72   1HG   GLU  11          2HG       GLU  11  -9.113  -2.679  -2.679
   73   2HG   GLU  11          1HG       GLU  11  -7.698  -1.749  -1.749
   74    H    VAL  12           H        VAL  12  -7.650   1.015   1.015
   75    HA   VAL  12           HA       VAL  12  -4.953   0.817   0.817
   76    HB   VAL  12           HB       VAL  12  -6.079   2.835   2.835
   77   1HG1  VAL  12          3HG1      VAL  12  -3.129   2.097   2.097
   78   2HG1  VAL  12          2HG1      VAL  12  -3.639   3.677   3.677
   79   3HG1  VAL  12          1HG1      VAL  12  -4.057   2.242   2.242
   80   1HG2  VAL  12          1HG2      VAL  12  -6.029   3.267   3.267
   81   2HG2  VAL  12          3HG2      VAL  12  -5.067   4.429   4.429
   82   3HG2  VAL  12          2HG2      VAL  12  -4.278   3.116   3.116
   83    H    HIS  13           H        HIS  13  -7.048   0.412   0.412
   84    HA   HIS  13           HA       HIS  13  -7.204  -1.139  -1.139
   85   1HB   HIS  13          2HB       HIS  13  -4.468  -2.217  -2.217
   86   2HB   HIS  13          1HB       HIS  13  -5.591  -2.972  -2.972
   87    HD1  HIS  13           HD1      HIS  13  -8.008  -3.494  -3.494
   88    HD2  HIS  13           HD2      HIS  13  -4.845  -3.013  -3.013
   89    HE1  HIS  13           HE1      HIS  13  -8.680  -4.505  -4.505
   90    H    HIS  14           H        HIS  14  -3.854  -0.020  -0.020
   91    HA   HIS  14           HA       HIS  14  -3.828   1.673   1.673
   92   1HB   HIS  14          2HB       HIS  14  -2.336   0.320   0.320
   93   2HB   HIS  14          1HB       HIS  14  -3.893  -0.461  -0.461
   94    HD1  HIS  14           HD1      HIS  14  -3.754  -2.256  -2.256
   95    HD2  HIS  14           HD2      HIS  14  -0.274  -1.427  -1.427
   96    HE1  HIS  14           HE1      HIS  14  -2.198  -4.095  -4.095
   97    H    GLN  15           H        GLN  15  -1.696   2.478   2.478
   98    HA   GLN  15           HA       GLN  15   0.608   1.835   1.835
   99   1HB   GLN  15          2HB       GLN  15   0.615   4.100   4.100
  100   2HB   GLN  15          1HB       GLN  15  -0.605   2.986   2.986
  101   1HG   GLN  15          2HG       GLN  15  -2.371   4.259   4.259
  102   2HG   GLN  15          1HG       GLN  15  -1.516   4.778   4.778
  103   1HE2  GLN  15          2HE2      GLN  15   0.080   7.554   7.554
  104   2HE2  GLN  15          1HE2      GLN  15   0.337   6.387   6.387
  105    H    PHE  16           H        PHE  16   0.363   1.853   1.853
  106    HA   PHE  16           HA       PHE  16   1.931   4.187   4.187
  107   1HB   PHE  16          2HB       PHE  16  -0.286   4.559   4.559
  108   2HB   PHE  16          1HB       PHE  16  -0.518   2.847   2.847
  109    HD1  PHE  16           HD2      PHE  16   1.947   5.545   5.545
  110    HD2  PHE  16           HD1      PHE  16  -0.284   2.153   2.153
  111    HE1  PHE  16           HE2      PHE  16   2.837   5.822   5.822
  112    HE2  PHE  16           HE1      PHE  16   0.610   2.435   2.435
  113    HZ   PHE  16           HZ       PHE  16   2.171   4.269   4.269
  114    H    LEU  17           H        LEU  17   0.715   1.008   1.008
  115    HA   LEU  17           HA       LEU  17   2.980   0.142   0.142
  116   1HB   LEU  17          2HB       LEU  17   0.890  -1.569  -1.569
  117   2HB   LEU  17          1HB       LEU  17   1.930  -2.099  -2.099
  118    HG   LEU  17           HG       LEU  17   0.708   0.115   0.115
  119   1HD1  LEU  17          2HD1      LEU  17  -1.338  -1.242  -1.242
  120   2HD1  LEU  17          1HD1      LEU  17  -1.754  -0.175  -0.175
  121   3HD1  LEU  17          3HD1      LEU  17  -0.871   0.450   0.450
  122   1HD2  LEU  17          1HD2      LEU  17   0.993  -2.129  -2.129
  123   2HD2  LEU  17          3HD2      LEU  17  -0.641  -1.537  -1.537
  124   3HD2  LEU  17          2HD2      LEU  17  -0.313  -2.757  -2.757
  125    H    VAL  18           H        VAL  18   1.835  -0.112  -0.112
  126    HA   VAL  18           HA       VAL  18   4.043  -1.712  -1.712
  127    HB   VAL  18           HB       VAL  18   1.557  -0.446  -0.446
  128   1HG1  VAL  18          1HG1      VAL  18   3.972  -1.006  -1.006
  129   2HG1  VAL  18          3HG1      VAL  18   2.328  -0.899  -0.899
  130   3HG1  VAL  18          2HG1      VAL  18   3.081   0.502   0.502
  131   1HG2  VAL  18          1HG2      VAL  18   1.841  -2.842  -2.842
  132   2HG2  VAL  18          3HG2      VAL  18   1.361  -2.702  -2.702
  133   3HG2  VAL  18          2HG2      VAL  18   3.036  -3.046  -3.046
  134    H    PHE  19           H        PHE  19   3.122   1.656   1.656
  135    HA   PHE  19           HA       PHE  19   5.274   2.559   2.559
  136   1HB   PHE  19          2HB       PHE  19   3.304   3.977   3.977
  137   2HB   PHE  19          1HB       PHE  19   3.930   4.107   4.107
  138    HD1  PHE  19           HD2      PHE  19   5.280   4.441   4.441
  139    HD2  PHE  19           HD1      PHE  19   5.116   6.107   6.107
  140    HE1  PHE  19           HE2      PHE  19   6.722   6.284   6.284
  141    HE2  PHE  19           HE1      PHE  19   6.561   7.951   7.951
  142    HZ   PHE  19           HZ       PHE  19   7.365   8.043   8.043
  143    H    PHE  20           H        PHE  20   5.172   1.474   1.474
  144    HA   PHE  20           HA       PHE  20   7.758   2.642   2.642
  145   1HB   PHE  20          2HB       PHE  20   5.767   2.551   2.551
  146   2HB   PHE  20          1HB       PHE  20   5.891   0.804   0.804
  147    HD1  PHE  20           HD1      PHE  20   8.250   3.727   3.727
  148    HD2  PHE  20           HD2      PHE  20   6.943  -0.055  -0.055
  149    HE1  PHE  20           HE1      PHE  20   9.872   3.878   3.878
  150    HE2  PHE  20           HE2      PHE  20   8.566   0.107   0.107
  151    HZ   PHE  20           HZ       PHE  20  10.034   2.073   2.073
  152    H    ALA  21           H        ALA  21   6.855  -0.098  -0.098
  153    HA   ALA  21           HA       ALA  21   9.332  -1.425  -1.425
  154   1HB   ALA  21          2HB       ALA  21   7.253  -2.521  -2.521
  155   2HB   ALA  21          1HB       ALA  21   6.753  -2.830  -2.830
  156   3HB   ALA  21          3HB       ALA  21   8.211  -3.588  -3.588
  157    H    GLU  22           H        GLU  22   7.250  -0.830  -0.830
  158    HA   GLU  22           HA       GLU  22   8.739  -2.424  -2.424
  159   1HB   GLU  22          2HB       GLU  22   6.445  -2.014  -2.014
  160   2HB   GLU  22          1HB       GLU  22   6.553  -0.315  -0.315
  161   1HG   GLU  22          2HG       GLU  22   8.263  -1.323  -1.323
  162   2HG   GLU  22          1HG       GLU  22   6.530  -1.215  -1.215
  163    H    ASP  23           H        ASP  23   8.589   0.827   0.827
  164    HA   ASP  23           HA       ASP  23  10.678   1.816   1.816
  165   1HB   ASP  23          2HB       ASP  23   9.317   3.319   3.319
  166   2HB   ASP  23          1HB       ASP  23  10.133   4.007   4.007
  167    H    VAL  24           H        VAL  24  10.124   1.829   1.829
  168    HA   VAL  24           HA       VAL  24  12.892   2.351   2.351
  169    HB   VAL  24           HB       VAL  24  10.932   1.396   1.396
  170   1HG1  VAL  24          2HG1      VAL  24  12.983   3.628   3.628
  171   2HG1  VAL  24          1HG1      VAL  24  11.985   3.165   3.165
  172   3HG1  VAL  24          3HG1      VAL  24  13.169   2.041   2.041
  173   1HG2  VAL  24          3HG2      VAL  24  10.702   4.075   4.075
  174   2HG2  VAL  24          2HG2      VAL  24   9.478   2.821   2.821
  175   3HG2  VAL  24          1HG2      VAL  24   9.965   3.718   3.718
  176    H    GLY  25           H        GLY  25  10.725  -0.344  -0.344
  177   1HA   GLY  25          2HA       GLY  25  11.182  -2.657  -2.657
  178   2HA   GLY  25          1HA       GLY  25  12.806  -2.353  -2.353
  179    H    SER  26           H        SER  26  11.144  -0.781  -0.781
  180    HA   SER  26           HA       SER  26  13.272  -0.635  -0.635
  181   1HB   SER  26          2HB       SER  26  10.312  -0.815  -0.815
  182   2HB   SER  26          1HB       SER  26  11.575   0.009   0.009
  183    HG   SER  26           HG       SER  26  10.196   0.909   0.909
  184    H    ASN  27           H        ASN  27  10.949  -3.147  -3.147
  185    HA   ASN  27           HA       ASN  27  12.234  -4.812  -4.812
  186   1HB   ASN  27          2HB       ASN  27  10.115  -6.028  -6.028
  187   2HB   ASN  27          1HB       ASN  27   9.765  -4.311  -4.311
  188   1HD2  ASN  27          2HD2      ASN  27   8.112  -6.447  -6.447
  189   2HD2  ASN  27          1HD2      ASN  27   8.900  -7.139  -7.139
  190    H    LYS  28           H        LYS  28  11.573  -4.537  -4.537
  191    HA   LYS  28           HA       LYS  28  12.007  -7.302  -7.302
  192   1HB   LYS  28          2HB       LYS  28  12.365  -4.866  -4.866
  193   2HB   LYS  28          1HB       LYS  28  11.984  -6.499  -6.499
  194   1HG   LYS  28          2HG       LYS  28  10.154  -4.715  -4.715
  195   2HG   LYS  28          1HG       LYS  28   9.991  -4.998  -4.998
  196   1HD   LYS  28          2HD       LYS  28   9.699  -7.456  -7.456
  197   2HD   LYS  28          1HD       LYS  28   9.792  -7.143  -7.143
  198   1HE   LYS  28          2HE       LYS  28   7.443  -7.268  -7.268
  199   2HE   LYS  28          1HE       LYS  28   7.798  -5.593  -5.593
  200   1HZ   LYS  28          1HZ       LYS  28   8.322  -6.015  -6.015
  201   2HZ   LYS  28          3HZ       LYS  28   6.785  -6.644  -6.644
  202   3HZ   LYS  28          2HZ       LYS  28   7.141  -5.024  -5.024

  Start of MODEL   10
    1   1H    ASP   1          3H        ASP   1 -26.336  -7.710  -7.710
    2   2H    ASP   1          2H        ASP   1 -27.389  -6.982  -6.982
    3   3H    ASP   1          1H        ASP   1 -27.757  -6.955  -6.955
    4    HA   ASP   1           HA       ASP   1 -26.699  -5.069  -5.069
    5   1HB   ASP   1          2HB       ASP   1 -27.356  -4.453  -4.453
    6   2HB   ASP   1          1HB       ASP   1 -26.095  -5.445  -5.445
    7    H    ALA   2           H        ALA   2 -24.670  -4.049  -4.049
    8    HA   ALA   2           HA       ALA   2 -22.199  -5.588  -5.588
    9   1HB   ALA   2          3HB       ALA   2 -23.446  -5.894  -5.894
   10   2HB   ALA   2          2HB       ALA   2 -22.503  -4.444  -4.444
   11   3HB   ALA   2          1HB       ALA   2 -21.699  -5.912  -5.912
   12    H    GLU   3           H        GLU   3 -20.438  -4.196  -4.196
   13    HA   GLU   3           HA       GLU   3 -20.762  -1.452  -1.452
   14   1HB   GLU   3          2HB       GLU   3 -18.449  -3.336  -3.336
   15   2HB   GLU   3          1HB       GLU   3 -18.116  -1.614  -1.614
   16   1HG   GLU   3          2HG       GLU   3 -17.905  -2.782  -2.782
   17   2HG   GLU   3          1HG       GLU   3 -18.853  -1.309  -1.309
   18    H    PHE   4           H        PHE   4 -21.836  -0.465  -0.465
   19    HA   PHE   4           HA       PHE   4 -21.089  -0.530  -0.530
   20   1HB   PHE   4          2HB       PHE   4 -23.086   1.426   1.426
   21   2HB   PHE   4          1HB       PHE   4 -23.141   0.613   0.613
   22    HD1  PHE   4           HD1      PHE   4 -23.185  -2.144  -2.144
   23    HD2  PHE   4           HD2      PHE   4 -24.685   0.750   0.750
   24    HE1  PHE   4           HE1      PHE   4 -24.687  -3.827  -3.827
   25    HE2  PHE   4           HE2      PHE   4 -26.181  -0.938  -0.938
   26    HZ   PHE   4           HZ       PHE   4 -26.185  -3.227  -3.227
   27    H    ARG   5           H        ARG   5 -19.014   0.177   0.177
   28    HA   ARG   5           HA       ARG   5 -17.377   1.734   1.734
   29   1HB   ARG   5          2HB       ARG   5 -16.809   3.086   3.086
   30   2HB   ARG   5          1HB       ARG   5 -17.485   1.584   1.584
   31   1HG   ARG   5          2HG       ARG   5 -19.531   2.608   2.608
   32   2HG   ARG   5          1HG       ARG   5 -19.245   4.053   4.053
   33   1HD   ARG   5          2HD       ARG   5 -18.746   4.719   4.719
   34   2HD   ARG   5          1HD       ARG   5 -17.152   4.410   4.410
   35    HE   ARG   5           HE       ARG   5 -18.620   2.734   2.734
   36   1HH1  ARG   5          2HH1      ARG   5 -15.830   3.126   3.126
   37   2HH1  ARG   5          1HH1      ARG   5 -14.919   1.928   1.928
   38   1HH2  ARG   5          1HH2      ARG   5 -17.474   1.224   1.224
   39   2HH2  ARG   5          2HH2      ARG   5 -15.856   0.836   0.836
   40    H    HIS   6           H        HIS   6 -19.966   2.359   2.359
   41    HA   HIS   6           HA       HIS   6 -19.335   4.824   4.824
   42   1HB   HIS   6          2HB       HIS   6 -21.251   6.232   6.232
   43   2HB   HIS   6          1HB       HIS   6 -20.094   5.896   5.896
   44    HD1  HIS   6           HD1      HIS   6 -21.374   5.487   5.487
   45    HD2  HIS   6           HD2      HIS   6 -23.354   3.803   3.803
   46    HE1  HIS   6           HE1      HIS   6 -23.366   4.379   4.379
   47    H    ASP   7           H        ASP   7 -20.697   1.980   1.980
   48    HA   ASP   7           HA       ASP   7 -23.119   2.492   2.492
   49   1HB   ASP   7          2HB       ASP   7 -22.626   0.493   0.493
   50   2HB   ASP   7          1HB       ASP   7 -21.625  -0.124  -0.124
   51    H    SER   8           H        SER   8 -20.505   3.369   3.369
   52    HA   SER   8           HA       SER   8 -19.225   3.519   3.519
   53   1HB   SER   8          2HB       SER   8 -20.602   4.025   4.025
   54   2HB   SER   8          1HB       SER   8 -21.510   4.568   4.568
   55    HG   SER   8           HG       SER   8 -22.134   2.666   2.666
   56    H    GLY   9           H        GLY   9 -19.758   0.687   0.687
   57   1HA   GLY   9          2HA       GLY   9 -19.888  -1.103  -1.103
   58   2HA   GLY   9          1HA       GLY   9 -19.172  -1.487  -1.487
   59    H    TYR  10           H        TYR  10 -16.994  -0.333  -0.333
   60    HA   TYR  10           HA       TYR  10 -15.402   0.130   0.130
   61   1HB   TYR  10          2HB       TYR  10 -15.684  -2.554  -2.554
   62   2HB   TYR  10          1HB       TYR  10 -14.280  -2.188  -2.188
   63    HD1  TYR  10           HD1      TYR  10 -15.638  -2.068  -2.068
   64    HD2  TYR  10           HD2      TYR  10 -12.150  -1.672  -1.672
   65    HE1  TYR  10           HE1      TYR  10 -14.253  -2.066  -2.066
   66    HE2  TYR  10           HE2      TYR  10 -10.763  -1.670  -1.670
   67    HH   TYR  10           HH       TYR  10 -11.439  -2.780  -2.780
   68    H    GLU  11           H        GLU  11 -13.118   0.422   0.422
   69    HA   GLU  11           HA       GLU  11 -12.013   0.833   0.833
   70   1HB   GLU  11          2HB       GLU  11 -13.626   2.763   2.763
   71   2HB   GLU  11          1HB       GLU  11 -13.096   3.327   3.327
   72   1HG   GLU  11          2HG       GLU  11 -10.830   2.986   2.986
   73   2HG   GLU  11          1HG       GLU  11 -12.041   4.096   4.096
   74    H    VAL  12           H        VAL  12  -9.976   0.690   0.690
   75    HA   VAL  12           HA       VAL  12  -8.927   1.042   1.042
   76    HB   VAL  12           HB       VAL  12  -7.971  -0.344  -0.344
   77   1HG1  VAL  12          3HG1      VAL  12  -6.501   0.112   0.112
   78   2HG1  VAL  12          2HG1      VAL  12  -6.116  -1.264  -1.264
   79   3HG1  VAL  12          1HG1      VAL  12  -5.893   0.360   0.360
   80   1HG2  VAL  12          3HG2      VAL  12  -9.755  -1.478  -1.478
   81   2HG2  VAL  12          2HG2      VAL  12  -8.263  -2.395  -2.395
   82   3HG2  VAL  12          1HG2      VAL  12  -8.751  -1.407  -1.407
   83    H    HIS  13           H        HIS  13  -7.812   1.553   1.553
   84    HA   HIS  13           HA       HIS  13  -6.530   3.185   3.185
   85   1HB   HIS  13          2HB       HIS  13  -8.754   4.366   4.366
   86   2HB   HIS  13          1HB       HIS  13  -7.619   5.301   5.301
   87    HD1  HIS  13           HD1      HIS  13  -5.507   6.075   6.075
   88    HD2  HIS  13           HD2      HIS  13  -9.323   5.653   5.653
   89    HE1  HIS  13           HE1      HIS  13  -5.629   7.362   7.362
   90    H    HIS  14           H        HIS  14  -5.705   2.215   2.215
   91    HA   HIS  14           HA       HIS  14  -3.815   4.263   4.263
   92   1HB   HIS  14          2HB       HIS  14  -4.108   1.364   1.364
   93   2HB   HIS  14          1HB       HIS  14  -3.184   2.620   2.620
   94    HD1  HIS  14           HD1      HIS  14  -6.138   1.097   1.097
   95    HD2  HIS  14           HD2      HIS  14  -5.315   5.064   5.064
   96    HE1  HIS  14           HE1      HIS  14  -7.990   2.327   2.327
   97    H    GLN  15           H        GLN  15  -2.970   0.879   0.879
   98    HA   GLN  15           HA       GLN  15  -1.092  -0.116  -0.116
   99   1HB   GLN  15          2HB       GLN  15  -2.137   1.769   1.769
  100   2HB   GLN  15          1HB       GLN  15  -0.685   0.861   0.861
  101   1HG   GLN  15          2HG       GLN  15  -3.158  -0.533  -0.533
  102   2HG   GLN  15          1HG       GLN  15  -2.983  -0.203  -0.203
  103   1HE2  GLN  15          2HE2      GLN  15  -0.244  -2.500  -2.500
  104   2HE2  GLN  15          1HE2      GLN  15  -0.871  -1.037  -1.037
  105    H    PHE  16           H        PHE  16  -0.690   2.328   2.328
  106    HA   PHE  16           HA       PHE  16   1.589   3.761   3.761
  107   1HB   PHE  16          2HB       PHE  16   0.490   4.885   4.885
  108   2HB   PHE  16          1HB       PHE  16   0.335   3.426   3.426
  109    HD1  PHE  16           HD1      PHE  16   2.890   5.812   5.812
  110    HD2  PHE  16           HD2      PHE  16   1.938   2.975   2.975
  111    HE1  PHE  16           HE1      PHE  16   4.953   6.399   6.399
  112    HE2  PHE  16           HE2      PHE  16   4.001   3.565   3.565
  113    HZ   PHE  16           HZ       PHE  16   5.512   5.276   5.276
  114    H    LEU  17           H        LEU  17   1.187   0.898   0.898
  115    HA   LEU  17           HA       LEU  17   3.848   0.460   0.460
  116   1HB   LEU  17          2HB       LEU  17   1.672  -1.564  -1.564
  117   2HB   LEU  17          1HB       LEU  17   3.080  -1.884  -1.884
  118    HG   LEU  17           HG       LEU  17   1.975   0.419   0.419
  119   1HD1  LEU  17          2HD1      LEU  17  -0.302  -1.440  -1.440
  120   2HD1  LEU  17          1HD1      LEU  17  -0.433  -0.127  -0.127
  121   3HD1  LEU  17          3HD1      LEU  17  -0.105   0.223   0.223
  122   1HD2  LEU  17          2HD2      LEU  17   1.482  -2.490  -2.490
  123   2HD2  LEU  17          1HD2      LEU  17   2.893  -1.543  -1.543
  124   3HD2  LEU  17          3HD2      LEU  17   1.315  -1.114  -1.114
  125    H    VAL  18           H        VAL  18   2.074  -0.292  -0.292
  126    HA   VAL  18           HA       VAL  18   4.192  -1.814  -1.814
  127    HB   VAL  18           HB       VAL  18   1.619  -0.545  -0.545
  128   1HG1  VAL  18          1HG1      VAL  18   3.696  -2.213  -2.213
  129   2HG1  VAL  18          3HG1      VAL  18   2.057  -1.953  -1.953
  130   3HG1  VAL  18          2HG1      VAL  18   3.153  -0.595  -0.595
  131   1HG2  VAL  18          3HG2      VAL  18   2.566  -3.366  -3.366
  132   2HG2  VAL  18          2HG2      VAL  18   1.299  -2.463  -2.463
  133   3HG2  VAL  18          1HG2      VAL  18   1.055  -3.034  -3.034
  134    H    PHE  19           H        PHE  19   2.957   1.446   1.446
  135    HA   PHE  19           HA       PHE  19   4.843   2.433   2.433
  136   1HB   PHE  19          2HB       PHE  19   2.711   3.619   3.619
  137   2HB   PHE  19          1HB       PHE  19   3.368   3.959   3.959
  138    HD1  PHE  19           HD1      PHE  19   4.297   4.376   4.376
  139    HD2  PHE  19           HD2      PHE  19   4.471   6.008   6.008
  140    HE1  PHE  19           HE1      PHE  19   5.400   6.383   6.383
  141    HE2  PHE  19           HE2      PHE  19   5.573   8.013   8.013
  142    HZ   PHE  19           HZ       PHE  19   6.040   8.205   8.205
  143    H    PHE  20           H        PHE  20   5.236   1.383   1.383
  144    HA   PHE  20           HA       PHE  20   7.769   2.903   2.903
  145   1HB   PHE  20          2HB       PHE  20   5.744   3.056   3.056
  146   2HB   PHE  20          1HB       PHE  20   6.318   1.490   1.490
  147    HD1  PHE  20           HD2      PHE  20   7.322   5.023   5.023
  148    HD2  PHE  20           HD1      PHE  20   8.326   1.354   1.354
  149    HE1  PHE  20           HE2      PHE  20   9.087   6.166   6.166
  150    HE2  PHE  20           HE1      PHE  20  10.089   2.501   2.501
  151    HZ   PHE  20           HZ       PHE  20  10.474   4.908   4.908
  152    H    ALA  21           H        ALA  21   6.656  -0.121  -0.121
  153    HA   ALA  21           HA       ALA  21   9.055  -1.434  -1.434
  154   1HB   ALA  21          1HB       ALA  21   6.408  -2.632  -2.632
  155   2HB   ALA  21          3HB       ALA  21   7.778  -3.589  -3.589
  156   3HB   ALA  21          2HB       ALA  21   6.960  -2.513  -2.513
  157    H    GLU  22           H        GLU  22   7.199  -0.890  -0.890
  158    HA   GLU  22           HA       GLU  22   9.062  -2.355  -2.355
  159   1HB   GLU  22          2HB       GLU  22   6.294  -1.672  -1.672
  160   2HB   GLU  22          1HB       GLU  22   7.021  -0.778  -0.778
  161   1HG   GLU  22          2HG       GLU  22   7.817  -3.672  -3.672
  162   2HG   GLU  22          1HG       GLU  22   6.205  -3.329  -3.329
  163    H    ASP  23           H        ASP  23   9.371   0.241   0.241
  164    HA   ASP  23           HA       ASP  23  10.842   1.734   1.734
  165   1HB   ASP  23          2HB       ASP  23   9.133   3.073   3.073
  166   2HB   ASP  23          1HB       ASP  23   9.946   3.870   3.870
  167    H    VAL  24           H        VAL  24  10.497   0.647   0.647
  168    HA   VAL  24           HA       VAL  24  13.201   1.721   1.721
  169    HB   VAL  24           HB       VAL  24  11.162   1.043   1.043
  170   1HG1  VAL  24          2HG1      VAL  24  13.464   1.435   1.435
  171   2HG1  VAL  24          1HG1      VAL  24  13.440   3.031   3.031
  172   3HG1  VAL  24          3HG1      VAL  24  12.394   2.676   2.676
  173   1HG2  VAL  24          3HG2      VAL  24  11.365   3.749   3.749
  174   2HG2  VAL  24          2HG2      VAL  24   9.986   2.666   2.666
  175   3HG2  VAL  24          1HG2      VAL  24  10.410   3.434   3.434
  176    H    GLY  25           H        GLY  25  10.863  -0.792  -0.792
  177   1HA   GLY  25          2HA       GLY  25  12.741  -2.589  -2.589
  178   2HA   GLY  25          1HA       GLY  25  11.110  -2.988  -2.988
  179    H    SER  26           H        SER  26  10.970  -4.490  -4.490
  180    HA   SER  26           HA       SER  26  13.133  -5.771  -5.771
  181   1HB   SER  26          2HB       SER  26  10.147  -5.856  -5.856
  182   2HB   SER  26          1HB       SER  26  11.329  -7.022  -7.022
  183    HG   SER  26           HG       SER  26  10.222  -6.873  -6.873
  184    H    ASN  27           H        ASN  27  11.080  -3.248  -3.248
  185    HA   ASN  27           HA       ASN  27  11.065  -1.939  -1.939
  186   1HB   ASN  27          2HB       ASN  27  13.984  -2.702  -2.702
  187   2HB   ASN  27          1HB       ASN  27  13.484  -1.800  -1.800
  188   1HD2  ASN  27          2HD2      ASN  27  12.987  -0.043  -0.043
  189   2HD2  ASN  27          1HD2      ASN  27  12.890  -1.733  -1.733
  190    H    LYS  28           H        LYS  28  11.039  -5.156  -5.156
  191    HA   LYS  28           HA       LYS  28  11.649  -5.443  -5.443
  192   1HB   LYS  28          2HB       LYS  28  10.014  -7.315  -7.315
  193   2HB   LYS  28          1HB       LYS  28  10.858  -7.718  -7.718
  194   1HG   LYS  28          2HG       LYS  28  13.023  -7.004  -7.004
  195   2HG   LYS  28          1HG       LYS  28  12.090  -6.903  -6.903
  196   1HD   LYS  28          2HD       LYS  28  12.029  -9.416  -9.416
  197   2HD   LYS  28          1HD       LYS  28  13.351  -9.106  -9.106
  198   1HE   LYS  28          2HE       LYS  28  11.902  -9.097  -9.097
  199   2HE   LYS  28          1HE       LYS  28  10.454  -8.957  -8.957
  200   1HZ   LYS  28          3HZ       LYS  28  11.855 -11.245 -11.245
  201   2HZ   LYS  28          2HZ       LYS  28  11.712 -11.263 -11.263
  202   3HZ   LYS  28          1HZ       LYS  28  10.324 -11.131 -11.131

  Start of MODEL   11
    1   1H    ASP   1          3H        ASP   1  -8.928   8.326   8.326
    2   2H    ASP   1          2H        ASP   1  -7.283   8.692   8.692
    3   3H    ASP   1          1H        ASP   1  -7.744   7.201   7.201
    4    HA   ASP   1           HA       ASP   1  -7.713   8.035   8.035
    5   1HB   ASP   1          2HB       ASP   1  -6.721  10.245  10.245
    6   2HB   ASP   1          1HB       ASP   1  -5.930   9.556   9.556
    7    H    ALA   2           H        ALA   2  -9.499   9.981   9.981
    8    HA   ALA   2           HA       ALA   2 -11.724  10.296  10.296
    9   1HB   ALA   2          1HB       ALA   2 -10.340  12.407  12.407
   10   2HB   ALA   2          3HB       ALA   2 -12.031  12.615  12.615
   11   3HB   ALA   2          2HB       ALA   2 -10.836  12.483  12.483
   12    H    GLU   3           H        GLU   3 -13.489   9.421   9.421
   13    HA   GLU   3           HA       GLU   3 -13.719   8.668   8.668
   14   1HB   GLU   3          2HB       GLU   3 -15.865   7.595   7.595
   15   2HB   GLU   3          1HB       GLU   3 -14.517   7.149   7.149
   16   1HG   GLU   3          2HG       GLU   3 -16.047   7.668   7.668
   17   2HG   GLU   3          1HG       GLU   3 -15.334   9.253   9.253
   18    H    PHE   4           H        PHE   4 -13.732  11.469  11.469
   19    HA   PHE   4           HA       PHE   4 -15.949  12.401  12.401
   20   1HB   PHE   4          2HB       PHE   4 -16.448  14.240  14.240
   21   2HB   PHE   4          1HB       PHE   4 -16.849  12.637  12.637
   22    HD1  PHE   4           HD2      PHE   4 -15.348  11.493  11.493
   23    HD2  PHE   4           HD1      PHE   4 -14.594  15.497  15.497
   24    HE1  PHE   4           HE2      PHE   4 -13.828  11.795  11.795
   25    HE2  PHE   4           HE1      PHE   4 -13.071  15.794  15.794
   26    HZ   PHE   4           HZ       PHE   4 -12.685  13.948  13.948
   27    H    ARG   5           H        ARG   5 -13.025  12.078  12.078
   28    HA   ARG   5           HA       ARG   5 -11.930  14.764  14.764
   29   1HB   ARG   5          2HB       ARG   5 -10.632  12.694  12.694
   30   2HB   ARG   5          1HB       ARG   5 -10.712  12.120  12.120
   31   1HG   ARG   5          2HG       ARG   5  -9.238  13.724  13.724
   32   2HG   ARG   5          1HG       ARG   5  -9.691  14.926  14.926
   33   1HD   ARG   5          2HD       ARG   5  -7.926  12.487  12.487
   34   2HD   ARG   5          1HD       ARG   5  -7.407  14.166  14.166
   35    HE   ARG   5           HE       ARG   5  -8.685  12.754  12.754
   36   1HH1  ARG   5          2HH1      ARG   5  -8.354  15.856  15.856
   37   2HH1  ARG   5          1HH1      ARG   5  -8.711  16.726  16.726
   38   1HH2  ARG   5          1HH2      ARG   5  -9.137  13.825  13.825
   39   2HH2  ARG   5          2HH2      ARG   5  -9.161  15.556  15.556
   40    H    HIS   6           H        HIS   6 -13.545  15.497  15.497
   41    HA   HIS   6           HA       HIS   6 -14.337  16.177  16.177
   42   1HB   HIS   6          2HB       HIS   6 -11.696  16.464  16.464
   43   2HB   HIS   6          1HB       HIS   6 -11.797  15.086  15.086
   44    HD1  HIS   6           HD1      HIS   6 -13.342  18.502  18.502
   45    HD2  HIS   6           HD2      HIS   6 -12.548  15.727  15.727
   46    HE1  HIS   6           HE1      HIS   6 -13.936  19.551  19.551
   47    H    ASP   7           H        ASP   7 -14.752  13.480  13.480
   48    HA   ASP   7           HA       ASP   7 -15.742  11.482  11.482
   49   1HB   ASP   7          2HB       ASP   7 -17.233  13.221  13.221
   50   2HB   ASP   7          1HB       ASP   7 -16.342  12.834  12.834
   51    H    SER   8           H        SER   8 -13.404  10.942  10.942
   52    HA   SER   8           HA       SER   8 -11.747  10.585  10.585
   53   1HB   SER   8          2HB       SER   8 -12.023   8.747   8.747
   54   2HB   SER   8          1HB       SER   8 -10.609   8.827   8.827
   55    HG   SER   8           HG       SER   8 -11.316  10.474  10.474
   56    H    GLY   9           H        GLY   9 -14.420   8.655   8.655
   57   1HA   GLY   9          2HA       GLY   9 -15.556   6.845   6.845
   58   2HA   GLY   9          1HA       GLY   9 -15.030   7.503   7.503
   59    H    TYR  10           H        TYR  10 -12.816   6.357   6.357
   60    HA   TYR  10           HA       TYR  10 -12.515   3.728   3.728
   61   1HB   TYR  10          2HB       TYR  10 -11.197   5.691   5.691
   62   2HB   TYR  10          1HB       TYR  10  -9.937   5.231   5.231
   63    HD1  TYR  10           HD2      TYR  10 -12.163   4.023   4.023
   64    HD2  TYR  10           HD1      TYR  10  -8.967   2.983   2.983
   65    HE1  TYR  10           HE2      TYR  10 -11.756   2.000   2.000
   66    HE2  TYR  10           HE1      TYR  10  -8.560   0.957   0.957
   67    HH   TYR  10           HH       TYR  10  -9.117   0.345   0.345
   68    H    GLU  11           H        GLU  11 -10.695   2.551   2.551
   69    HA   GLU  11           HA       GLU  11  -9.300   3.432   3.432
   70   1HB   GLU  11          2HB       GLU  11 -11.663   3.010   3.010
   71   2HB   GLU  11          1HB       GLU  11 -11.539   1.351   1.351
   72   1HG   GLU  11          2HG       GLU  11  -9.667   0.915   0.915
   73   2HG   GLU  11          1HG       GLU  11  -9.537   2.616   2.616
   74    H    VAL  12           H        VAL  12  -7.519   2.666   2.666
   75    HA   VAL  12           HA       VAL  12  -7.238   0.177   0.177
   76    HB   VAL  12           HB       VAL  12  -5.362   2.232   2.232
   77   1HG1  VAL  12          3HG1      VAL  12  -4.711  -0.296  -0.296
   78   2HG1  VAL  12          2HG1      VAL  12  -3.624   1.084   1.084
   79   3HG1  VAL  12          1HG1      VAL  12  -3.990   0.224   0.224
   80   1HG2  VAL  12          2HG2      VAL  12  -6.330   1.545   1.545
   81   2HG2  VAL  12          1HG2      VAL  12  -6.725   2.983   2.983
   82   3HG2  VAL  12          3HG2      VAL  12  -5.092   2.745   2.745
   83    H    HIS  13           H        HIS  13  -6.824   1.269   1.269
   84    HA   HIS  13           HA       HIS  13  -6.661   0.192   0.192
   85   1HB   HIS  13          2HB       HIS  13  -6.292  -2.451  -2.451
   86   2HB   HIS  13          1HB       HIS  13  -6.680  -2.241  -2.241
   87    HD1  HIS  13           HD1      HIS  13  -8.286  -1.945  -1.945
   88    HD2  HIS  13           HD2      HIS  13  -9.365  -1.661  -1.661
   89    HE1  HIS  13           HE1      HIS  13 -10.752  -1.895  -1.895
   90    H    HIS  14           H        HIS  14  -4.510  -1.198  -1.198
   91    HA   HIS  14           HA       HIS  14  -2.231  -1.317  -1.317
   92   1HB   HIS  14          2HB       HIS  14  -2.309  -1.797  -1.797
   93   2HB   HIS  14          1HB       HIS  14  -1.115  -2.416  -2.416
   94    HD1  HIS  14           HD1      HIS  14  -4.700  -2.903  -2.903
   95    HD2  HIS  14           HD2      HIS  14  -1.837  -4.772  -4.772
   96    HE1  HIS  14           HE1      HIS  14  -5.649  -5.083  -5.083
   97    H    GLN  15           H        GLN  15  -0.309  -0.603  -0.603
   98    HA   GLN  15           HA       GLN  15   1.004   1.235   1.235
   99   1HB   GLN  15          2HB       GLN  15  -1.819   1.902   1.902
  100   2HB   GLN  15          1HB       GLN  15  -0.669   3.221   3.221
  101   1HG   GLN  15          2HG       GLN  15   0.877   1.771   1.771
  102   2HG   GLN  15          1HG       GLN  15  -0.373   0.532   0.532
  103   1HE2  GLN  15          2HE2      GLN  15  -0.996   4.026   4.026
  104   2HE2  GLN  15          1HE2      GLN  15   0.060   4.027   4.027
  105    H    PHE  16           H        PHE  16   0.108   0.864   0.864
  106    HA   PHE  16           HA       PHE  16   0.788   3.391   3.391
  107   1HB   PHE  16          2HB       PHE  16  -1.613   3.598   3.598
  108   2HB   PHE  16          1HB       PHE  16  -1.855   1.860   1.860
  109    HD1  PHE  16           HD1      PHE  16  -0.143   4.418   4.418
  110    HD2  PHE  16           HD2      PHE  16  -2.091   0.626   0.626
  111    HE1  PHE  16           HE1      PHE  16  -0.013   4.250   4.250
  112    HE2  PHE  16           HE2      PHE  16  -1.957   0.466   0.466
  113    HZ   PHE  16           HZ       PHE  16  -0.918   2.275   2.275
  114    H    LEU  17           H        LEU  17   2.561   2.597   2.597
  115    HA   LEU  17           HA       LEU  17   3.947   1.330   1.330
  116   1HB   LEU  17          2HB       LEU  17   1.581   0.261   0.261
  117   2HB   LEU  17          1HB       LEU  17   2.113  -1.094  -1.094
  118    HG   LEU  17           HG       LEU  17   4.418  -0.574  -0.574
  119   1HD1  LEU  17          3HD1      LEU  17   3.396   1.332   1.332
  120   2HD1  LEU  17          2HD1      LEU  17   2.223   0.230   0.230
  121   3HD1  LEU  17          1HD1      LEU  17   3.927   0.060   0.060
  122   1HD2  LEU  17          3HD2      LEU  17   2.047  -2.166  -2.166
  123   2HD2  LEU  17          2HD2      LEU  17   3.257  -2.763  -2.763
  124   3HD2  LEU  17          1HD2      LEU  17   3.709  -2.385  -2.385
  125    H    VAL  18           H        VAL  18   2.195   0.235   0.235
  126    HA   VAL  18           HA       VAL  18   4.329  -1.589  -1.589
  127    HB   VAL  18           HB       VAL  18   1.664  -0.828  -0.828
  128   1HG1  VAL  18          1HG1      VAL  18   3.776  -2.927  -2.927
  129   2HG1  VAL  18          3HG1      VAL  18   2.117  -3.132  -3.132
  130   3HG1  VAL  18          2HG1      VAL  18   3.044  -1.754  -1.754
  131   1HG2  VAL  18          3HG2      VAL  18   2.404  -3.177  -3.177
  132   2HG2  VAL  18          2HG2      VAL  18   1.213  -1.929  -1.929
  133   3HG2  VAL  18          1HG2      VAL  18   0.921  -3.102  -3.102
  134    H    PHE  19           H        PHE  19   2.717   1.414   1.414
  135    HA   PHE  19           HA       PHE  19   4.006   2.177   2.177
  136   1HB   PHE  19          2HB       PHE  19   2.162   3.503   3.503
  137   2HB   PHE  19          1HB       PHE  19   2.930   3.802   3.802
  138    HD1  PHE  19           HD1      PHE  19   3.133   4.547   4.547
  139    HD2  PHE  19           HD2      PHE  19   4.423   5.669   5.669
  140    HE1  PHE  19           HE1      PHE  19   4.102   6.609   6.609
  141    HE2  PHE  19           HE2      PHE  19   5.391   7.729   7.729
  142    HZ   PHE  19           HZ       PHE  19   5.233   8.204   8.204
  143    H    PHE  20           H        PHE  20   5.079   2.062   2.062
  144    HA   PHE  20           HA       PHE  20   7.577   3.520   3.520
  145   1HB   PHE  20          2HB       PHE  20   6.338   3.749   3.749
  146   2HB   PHE  20          1HB       PHE  20   6.425   2.019   2.019
  147    HD1  PHE  20           HD1      PHE  20   9.076   4.493   4.493
  148    HD2  PHE  20           HD2      PHE  20   7.802   1.660   1.660
  149    HE1  PHE  20           HE1      PHE  20  11.181   4.788   4.788
  150    HE2  PHE  20           HE2      PHE  20   9.911   1.963   1.963
  151    HZ   PHE  20           HZ       PHE  20  11.608   3.526   3.526
  152    H    ALA  21           H        ALA  21   6.396   0.277   0.277
  153    HA   ALA  21           HA       ALA  21   8.743  -1.197  -1.197
  154   1HB   ALA  21          3HB       ALA  21   6.395  -2.099  -2.099
  155   2HB   ALA  21          2HB       ALA  21   6.341  -2.116  -2.116
  156   3HB   ALA  21          1HB       ALA  21   7.499  -3.117  -3.117
  157    H    GLU  22           H        GLU  22   7.139  -0.293  -0.293
  158    HA   GLU  22           HA       GLU  22   8.700  -1.561  -1.561
  159   1HB   GLU  22          2HB       GLU  22   7.162   1.036   1.036
  160   2HB   GLU  22          1HB       GLU  22   8.209   0.752   0.752
  161   1HG   GLU  22          2HG       GLU  22   6.151  -0.166  -0.166
  162   2HG   GLU  22          1HG       GLU  22   7.050  -1.580  -1.580
  163    H    ASP  23           H        ASP  23   9.346   1.400   1.400
  164    HA   ASP  23           HA       ASP  23  11.825   1.980   1.980
  165   1HB   ASP  23          2HB       ASP  23  11.097   4.031   4.031
  166   2HB   ASP  23          1HB       ASP  23   9.985   3.306   3.306
  167    H    VAL  24           H        VAL  24  10.920   0.978   0.978
  168    HA   VAL  24           HA       VAL  24  13.305   0.760   0.760
  169    HB   VAL  24           HB       VAL  24  11.038  -1.188  -1.188
  170   1HG1  VAL  24          1HG1      VAL  24  13.086  -0.307  -0.307
  171   2HG1  VAL  24          3HG1      VAL  24  11.736  -1.384  -1.384
  172   3HG1  VAL  24          2HG1      VAL  24  13.025  -1.890  -1.890
  173   1HG2  VAL  24          3HG2      VAL  24  10.853   1.599   1.599
  174   2HG2  VAL  24          2HG2      VAL  24   9.739   0.405   0.405
  175   3HG2  VAL  24          1HG2      VAL  24  11.067   0.974   0.974
  176    H    GLY  25           H        GLY  25  11.778  -1.766  -1.766
  177   1HA   GLY  25          2HA       GLY  25  12.573  -3.786  -3.786
  178   2HA   GLY  25          1HA       GLY  25  13.973  -2.826  -2.826
  179    H    SER  26           H        SER  26  13.223  -3.167  -3.167
  180    HA   SER  26           HA       SER  26  14.322  -4.099  -4.099
  181   1HB   SER  26          2HB       SER  26  13.359  -6.192  -6.192
  182   2HB   SER  26          1HB       SER  26  15.046  -6.502  -6.502
  183    HG   SER  26           HG       SER  26  15.394  -7.075  -7.075
  184    H    ASN  27           H        ASN  27  15.963  -2.562  -2.562
  185    HA   ASN  27           HA       ASN  27  18.621  -3.362  -3.362
  186   1HB   ASN  27          2HB       ASN  27  18.124  -2.631  -2.631
  187   2HB   ASN  27          1HB       ASN  27  19.659  -3.102  -3.102
  188   1HD2  ASN  27          2HD2      ASN  27  18.412  -6.577  -6.577
  189   2HD2  ASN  27          1HD2      ASN  27  19.035  -5.382  -5.382
  190    H    LYS  28           H        LYS  28  16.561  -0.936  -0.936
  191    HA   LYS  28           HA       LYS  28  17.998   1.207   1.207
  192   1HB   LYS  28          2HB       LYS  28  17.761   1.022   1.022
  193   2HB   LYS  28          1HB       LYS  28  17.939   2.566   2.566
  194   1HG   LYS  28          2HG       LYS  28  20.168   2.231   2.231
  195   2HG   LYS  28          1HG       LYS  28  20.008   1.176   1.176
  196   1HD   LYS  28          2HD       LYS  28  19.397  -0.646  -0.646
  197   2HD   LYS  28          1HD       LYS  28  20.214   0.482   0.482
  198   1HE   LYS  28          2HE       LYS  28  22.288   0.269   0.269
  199   2HE   LYS  28          1HE       LYS  28  21.520  -0.527  -0.527
  200   1HZ   LYS  28          1HZ       LYS  28  20.947  -1.989  -1.989
  201   2HZ   LYS  28          3HZ       LYS  28  22.616  -1.683  -1.683
  202   3HZ   LYS  28          2HZ       LYS  28  21.858  -2.447  -2.447

  Start of MODEL   12
    1   1H    ASP   1          3H        ASP   1 -10.377 -11.173 -11.173
    2   2H    ASP   1          2H        ASP   1 -12.013 -11.403 -11.403
    3   3H    ASP   1          1H        ASP   1 -10.900 -10.982 -10.982
    4    HA   ASP   1           HA       ASP   1 -11.245  -8.855  -8.855
    5   1HB   ASP   1          2HB       ASP   1 -13.558  -9.344  -9.344
    6   2HB   ASP   1          1HB       ASP   1 -13.124  -9.959  -9.959
    7    H    ALA   2           H        ALA   2 -11.212 -10.234 -10.234
    8    HA   ALA   2           HA       ALA   2  -9.164  -8.244  -8.244
    9   1HB   ALA   2          1HB       ALA   2 -11.176  -9.935  -9.935
   10   2HB   ALA   2          3HB       ALA   2  -9.981  -8.896  -8.896
   11   3HB   ALA   2          2HB       ALA   2 -11.236  -8.199  -8.199
   12    H    GLU   3           H        GLU   3  -8.017  -9.974  -9.974
   13    HA   GLU   3           HA       GLU   3  -7.093 -12.348 -12.348
   14   1HB   GLU   3          2HB       GLU   3  -6.022 -11.433 -11.433
   15   2HB   GLU   3          1HB       GLU   3  -6.103 -13.055 -13.055
   16   1HG   GLU   3          2HG       GLU   3  -8.007 -13.313 -13.313
   17   2HG   GLU   3          1HG       GLU   3  -8.811 -12.309 -12.309
   18    H    PHE   4           H        PHE   4  -6.485  -9.681  -9.681
   19    HA   PHE   4           HA       PHE   4  -3.496  -9.748  -9.748
   20   1HB   PHE   4          2HB       PHE   4  -4.946  -7.233  -7.233
   21   2HB   PHE   4          1HB       PHE   4  -3.461  -7.383  -7.383
   22    HD1  PHE   4           HD1      PHE   4  -3.889  -8.676  -8.676
   23    HD2  PHE   4           HD2      PHE   4  -6.783  -6.389  -6.389
   24    HE1  PHE   4           HE1      PHE   4  -5.157  -8.335  -8.335
   25    HE2  PHE   4           HE2      PHE   4  -8.043  -6.052  -6.052
   26    HZ   PHE   4           HZ       PHE   4  -7.234  -7.025  -7.025
   27    H    ARG   5           H        ARG   5  -5.484 -11.093 -11.093
   28    HA   ARG   5           HA       ARG   5  -4.139 -10.972 -10.972
   29   1HB   ARG   5          2HB       ARG   5  -6.073 -10.139 -10.139
   30   2HB   ARG   5          1HB       ARG   5  -5.645  -8.932  -8.932
   31   1HG   ARG   5          2HG       ARG   5  -7.886  -8.941  -8.941
   32   2HG   ARG   5          1HG       ARG   5  -7.481 -10.318 -10.318
   33   1HD   ARG   5          2HD       ARG   5  -8.002 -11.019 -11.019
   34   2HD   ARG   5          1HD       ARG   5  -9.388 -10.348 -10.348
   35    HE   ARG   5           HE       ARG   5  -8.093 -12.917 -12.917
   36   1HH1  ARG   5          1HH2      ARG   5 -10.156 -10.406 -10.406
   37   2HH1  ARG   5          2HH2      ARG   5 -10.925 -11.435 -11.435
   38   1HH2  ARG   5          2HH1      ARG   5  -9.050 -14.241 -14.241
   39   2HH2  ARG   5          1HH1      ARG   5 -10.287 -13.641 -13.641
   40    H    HIS   6           H        HIS   6  -5.588 -12.507 -12.507
   41    HA   HIS   6           HA       HIS   6  -7.158 -14.480 -14.480
   42   1HB   HIS   6          2HB       HIS   6  -7.669 -13.820 -13.820
   43   2HB   HIS   6          1HB       HIS   6  -6.138 -14.513 -14.513
   44    HD1  HIS   6           HD1      HIS   6  -7.168 -16.453 -16.453
   45    HD2  HIS   6           HD2      HIS   6  -8.509 -16.394 -16.394
   46    HE1  HIS   6           HE1      HIS   6  -8.376 -18.574 -18.574
   47    H    ASP   7           H        ASP   7  -4.186 -14.483 -14.483
   48    HA   ASP   7           HA       ASP   7  -2.808 -16.225 -16.225
   49   1HB   ASP   7          2HB       ASP   7  -2.420 -17.439 -17.439
   50   2HB   ASP   7          1HB       ASP   7  -2.974 -18.219 -18.219
   51    H    SER   8           H        SER   8  -2.803 -13.602 -13.602
   52    HA   SER   8           HA       SER   8  -0.286 -13.466 -13.466
   53   1HB   SER   8          2HB       SER   8  -2.292 -12.099 -12.099
   54   2HB   SER   8          1HB       SER   8  -2.179 -11.203 -11.203
   55    HG   SER   8           HG       SER   8   0.252 -11.397 -11.397
   56    H    GLY   9           H        GLY   9  -1.720 -12.300 -12.300
   57   1HA   GLY   9          2HA       GLY   9   0.275 -12.629 -12.629
   58   2HA   GLY   9          1HA       GLY   9   0.774 -11.141 -11.141
   59    H    TYR  10           H        TYR  10  -2.399 -12.389 -12.389
   60    HA   TYR  10           HA       TYR  10  -4.260 -11.305 -11.305
   61   1HB   TYR  10          2HB       TYR  10  -3.758 -10.815 -10.815
   62   2HB   TYR  10          1HB       TYR  10  -3.226 -12.367 -12.367
   63    HD1  TYR  10           HD1      TYR  10  -2.016  -8.975  -8.975
   64    HD2  TYR  10           HD2      TYR  10  -0.908 -12.965 -12.965
   65    HE1  TYR  10           HE1      TYR  10   0.276  -8.541  -8.541
   66    HE2  TYR  10           HE2      TYR  10   1.375 -12.513 -12.513
   67    HH   TYR  10           HH       TYR  10   2.318 -10.443 -10.443
   68    H    GLU  11           H        GLU  11  -4.048  -9.164  -9.164
   69    HA   GLU  11           HA       GLU  11  -3.101  -6.753  -6.753
   70   1HB   GLU  11          2HB       GLU  11  -5.223  -7.096  -7.096
   71   2HB   GLU  11          1HB       GLU  11  -6.122  -7.321  -7.321
   72   1HG   GLU  11          2HG       GLU  11  -4.582  -4.784  -4.784
   73   2HG   GLU  11          1HG       GLU  11  -5.645  -4.862  -4.862
   74    H    VAL  12           H        VAL  12  -2.547  -5.561  -5.561
   75    HA   VAL  12           HA       VAL  12  -3.316  -6.226  -6.226
   76    HB   VAL  12           HB       VAL  12  -1.328  -4.363  -4.363
   77   1HG1  VAL  12          1HG1      VAL  12  -1.872  -5.142  -5.142
   78   2HG1  VAL  12          3HG1      VAL  12  -0.300  -4.524  -4.524
   79   3HG1  VAL  12          2HG1      VAL  12  -1.729  -3.523  -3.523
   80   1HG2  VAL  12          1HG2      VAL  12  -1.115  -7.174  -7.174
   81   2HG2  VAL  12          3HG2      VAL  12  -0.750  -6.629  -6.629
   82   3HG2  VAL  12          2HG2      VAL  12   0.299  -6.173  -6.173
   83    H    HIS  13           H        HIS  13  -3.728  -3.691  -3.691
   84    HA   HIS  13           HA       HIS  13  -5.232  -1.935  -1.935
   85   1HB   HIS  13          2HB       HIS  13  -6.484  -3.468  -3.468
   86   2HB   HIS  13          1HB       HIS  13  -6.280  -1.898  -1.898
   87    HD1  HIS  13           HD1      HIS  13  -8.283  -3.599  -3.599
   88    HD2  HIS  13           HD2      HIS  13  -7.473   0.291   0.291
   89    HE1  HIS  13           HE1      HIS  13 -10.000  -2.243  -2.243
   90    H    HIS  14           H        HIS  14  -3.274  -2.236  -2.236
   91    HA   HIS  14           HA       HIS  14  -3.223   0.597   0.597
   92   1HB   HIS  14          2HB       HIS  14  -1.305  -1.571  -1.571
   93   2HB   HIS  14          1HB       HIS  14  -1.629  -0.015  -0.015
   94    HD1  HIS  14           HD1      HIS  14  -3.052  -3.385  -3.385
   95    HD2  HIS  14           HD2      HIS  14  -4.193   0.208   0.208
   96    HE1  HIS  14           HE1      HIS  14  -4.998  -3.844  -3.844
   97    H    GLN  15           H        GLN  15  -2.686   1.286   1.286
   98    HA   GLN  15           HA       GLN  15  -0.113   0.682   0.682
   99   1HB   GLN  15          2HB       GLN  15  -2.268   2.742   2.742
  100   2HB   GLN  15          1HB       GLN  15  -0.866   2.479   2.479
  101   1HG   GLN  15          2HG       GLN  15  -1.570   0.352   0.352
  102   2HG   GLN  15          1HG       GLN  15  -2.541   0.066   0.066
  103   1HE2  GLN  15          2HE2      GLN  15  -5.458   1.484   1.484
  104   2HE2  GLN  15          1HE2      GLN  15  -4.727   0.753   0.753
  105    H    PHE  16           H        PHE  16   0.066   1.721   1.721
  106    HA   PHE  16           HA       PHE  16   1.725   4.161   4.161
  107   1HB   PHE  16          2HB       PHE  16  -0.101   4.908   4.908
  108   2HB   PHE  16          1HB       PHE  16  -0.182   3.368   3.368
  109    HD1  PHE  16           HD2      PHE  16   2.375   6.064   6.064
  110    HD2  PHE  16           HD1      PHE  16   0.682   3.353   3.353
  111    HE1  PHE  16           HE2      PHE  16   3.871   6.931   6.931
  112    HE2  PHE  16           HE1      PHE  16   2.180   4.223   4.223
  113    HZ   PHE  16           HZ       PHE  16   3.778   6.013   6.013
  114    H    LEU  17           H        LEU  17   1.048   1.310   1.310
  115    HA   LEU  17           HA       LEU  17   3.706   1.046   1.046
  116   1HB   LEU  17          2HB       LEU  17   1.292  -0.815  -0.815
  117   2HB   LEU  17          1HB       LEU  17   2.804  -1.341  -1.341
  118    HG   LEU  17           HG       LEU  17   2.402   1.119   1.119
  119   1HD1  LEU  17          1HD1      LEU  17   0.082   1.184   1.184
  120   2HD1  LEU  17          3HD1      LEU  17  -0.304  -0.269  -0.269
  121   3HD1  LEU  17          2HD1      LEU  17   0.091   1.219   1.219
  122   1HD2  LEU  17          1HD2      LEU  17   1.515  -1.647  -1.647
  123   2HD2  LEU  17          3HD2      LEU  17   3.127  -0.970  -0.970
  124   3HD2  LEU  17          2HD2      LEU  17   1.781  -0.264  -0.264
  125    H    VAL  18           H        VAL  18   1.808  -0.425  -0.425
  126    HA   VAL  18           HA       VAL  18   3.911  -2.109  -2.109
  127    HB   VAL  18           HB       VAL  18   1.336  -1.050  -1.050
  128   1HG1  VAL  18          3HG1      VAL  18   3.527  -2.704  -2.704
  129   2HG1  VAL  18          2HG1      VAL  18   1.909  -3.340  -3.340
  130   3HG1  VAL  18          1HG1      VAL  18   2.290  -1.732  -1.732
  131   1HG2  VAL  18          1HG2      VAL  18   2.170  -3.712  -3.712
  132   2HG2  VAL  18          3HG2      VAL  18   1.106  -2.531  -2.531
  133   3HG2  VAL  18          2HG2      VAL  18   0.592  -3.386  -3.386
  134    H    PHE  19           H        PHE  19   2.844   1.147   1.147
  135    HA   PHE  19           HA       PHE  19   4.487   1.641   1.641
  136   1HB   PHE  19          2HB       PHE  19   2.816   3.318   3.318
  137   2HB   PHE  19          1HB       PHE  19   3.496   3.538   3.538
  138    HD1  PHE  19           HD2      PHE  19   4.233   3.961   3.961
  139    HD2  PHE  19           HD1      PHE  19   5.313   5.069   5.069
  140    HE1  PHE  19           HE2      PHE  19   5.746   5.676   5.676
  141    HE2  PHE  19           HE1      PHE  19   6.824   6.782   6.782
  142    HZ   PHE  19           HZ       PHE  19   7.045   7.089   7.089
  143    H    PHE  20           H        PHE  20   5.063   1.739   1.739
  144    HA   PHE  20           HA       PHE  20   7.700   2.815   2.815
  145   1HB   PHE  20          2HB       PHE  20   5.868   1.988   1.988
  146   2HB   PHE  20          1HB       PHE  20   7.181   0.842   0.842
  147    HD1  PHE  20           HD2      PHE  20   6.857   4.528   4.528
  148    HD2  PHE  20           HD1      PHE  20   8.793   1.473   1.473
  149    HE1  PHE  20           HE2      PHE  20   8.152   6.231   6.231
  150    HE2  PHE  20           HE1      PHE  20  10.083   3.181   3.181
  151    HZ   PHE  20           HZ       PHE  20   9.769   5.562   5.562
  152    H    ALA  21           H        ALA  21   6.423  -0.441  -0.441
  153    HA   ALA  21           HA       ALA  21   8.747  -1.937  -1.937
  154   1HB   ALA  21          1HB       ALA  21   6.212  -2.609  -2.609
  155   2HB   ALA  21          3HB       ALA  21   6.372  -2.685  -2.685
  156   3HB   ALA  21          2HB       ALA  21   7.355  -3.732  -3.732
  157    H    GLU  22           H        GLU  22   7.019  -0.751  -0.751
  158    HA   GLU  22           HA       GLU  22   8.813  -1.680  -1.680
  159   1HB   GLU  22          2HB       GLU  22   6.903   0.684   0.684
  160   2HB   GLU  22          1HB       GLU  22   7.689   0.049   0.049
  161   1HG   GLU  22          2HG       GLU  22   6.481  -1.991  -1.991
  162   2HG   GLU  22          1HG       GLU  22   6.058  -1.810  -1.810
  163    H    ASP  23           H        ASP  23   8.630   1.213   1.213
  164    HA   ASP  23           HA       ASP  23  10.953   2.465   2.465
  165   1HB   ASP  23          2HB       ASP  23   8.839   3.360   3.360
  166   2HB   ASP  23          1HB       ASP  23  10.214   4.378   4.378
  167    H    VAL  24           H        VAL  24  10.949   0.152   0.152
  168    HA   VAL  24           HA       VAL  24  13.169   1.341   1.341
  169    HB   VAL  24           HB       VAL  24  10.974  -0.453  -0.453
  170   1HG1  VAL  24          3HG1      VAL  24  13.440   0.583   0.583
  171   2HG1  VAL  24          2HG1      VAL  24  12.056  -0.103  -0.103
  172   3HG1  VAL  24          1HG1      VAL  24  12.991  -1.098  -1.098
  173   1HG2  VAL  24          2HG2      VAL  24  10.757   2.283   2.283
  174   2HG2  VAL  24          1HG2      VAL  24   9.976   1.342   1.342
  175   3HG2  VAL  24          3HG2      VAL  24  11.479   2.169   2.169
  176    H    GLY  25           H        GLY  25  11.653  -1.656  -1.656
  177   1HA   GLY  25          2HA       GLY  25  14.165  -2.833  -2.833
  178   2HA   GLY  25          1HA       GLY  25  13.524  -3.569  -3.569
  179    H    SER  26           H        SER  26  13.432  -3.635  -3.635
  180    HA   SER  26           HA       SER  26  11.341  -5.646  -5.646
  181   1HB   SER  26          2HB       SER  26  10.084  -3.422  -3.422
  182   2HB   SER  26          1HB       SER  26  10.936  -3.139  -3.139
  183    HG   SER  26           HG       SER  26   8.840  -4.722  -4.722
  184    H    ASN  27           H        ASN  27  13.641  -3.718  -3.718
  185    HA   ASN  27           HA       ASN  27  14.338  -6.019  -6.019
  186   1HB   ASN  27          2HB       ASN  27  12.741  -4.281  -4.281
  187   2HB   ASN  27          1HB       ASN  27  14.120  -3.193  -3.193
  188   1HD2  ASN  27          2HD2      ASN  27  14.222  -6.540  -6.540
  189   2HD2  ASN  27          1HD2      ASN  27  13.172  -6.495  -6.495
  190    H    LYS  28           H        LYS  28  15.549  -5.169  -5.169
  191    HA   LYS  28           HA       LYS  28  17.778  -3.395  -3.395
  192   1HB   LYS  28          2HB       LYS  28  17.518  -5.528  -5.528
  193   2HB   LYS  28          1HB       LYS  28  18.554  -4.117  -4.117
  194   1HG   LYS  28          2HG       LYS  28  15.498  -4.065  -4.065
  195   2HG   LYS  28          1HG       LYS  28  16.489  -3.827  -3.827
  196   1HD   LYS  28          2HD       LYS  28  16.459  -1.610  -1.610
  197   2HD   LYS  28          1HD       LYS  28  17.573  -1.943  -1.943
  198   1HE   LYS  28          2HE       LYS  28  15.973  -1.028  -1.028
  199   2HE   LYS  28          1HE       LYS  28  15.109  -2.542  -2.542
  200   1HZ   LYS  28          2HZ       LYS  28  14.591  -0.952  -0.952
  201   2HZ   LYS  28          1HZ       LYS  28  14.337  -0.021  -0.021
  202   3HZ   LYS  28          3HZ       LYS  28  13.514  -1.494  -1.494

  Start of MODEL   13
    1   1H    ASP   1          3H        ASP   1 -11.574 -14.978 -14.978
    2   2H    ASP   1          2H        ASP   1 -11.209 -14.221 -14.221
    3   3H    ASP   1          1H        ASP   1 -12.571 -15.224 -15.224
    4    HA   ASP   1           HA       ASP   1 -13.822 -13.542 -13.542
    5   1HB   ASP   1          2HB       ASP   1 -11.171 -12.108 -12.108
    6   2HB   ASP   1          1HB       ASP   1 -12.567 -11.211 -11.211
    7    H    ALA   2           H        ALA   2 -14.778 -13.080 -13.080
    8    HA   ALA   2           HA       ALA   2 -13.384 -12.200 -12.200
    9   1HB   ALA   2          2HB       ALA   2 -14.720 -14.954 -14.954
   10   2HB   ALA   2          1HB       ALA   2 -14.142 -14.173 -14.173
   11   3HB   ALA   2          3HB       ALA   2 -13.002 -14.660 -14.660
   12    H    GLU   3           H        GLU   3 -15.114 -10.828 -10.828
   13    HA   GLU   3           HA       GLU   3 -17.868 -11.200 -11.200
   14   1HB   GLU   3          2HB       GLU   3 -16.722  -8.986  -8.986
   15   2HB   GLU   3          1HB       GLU   3 -18.414  -9.347  -9.347
   16   1HG   GLU   3          2HG       GLU   3 -18.279 -10.670 -10.670
   17   2HG   GLU   3          1HG       GLU   3 -17.416 -11.824 -11.824
   18    H    PHE   4           H        PHE   4 -15.833 -10.707 -10.707
   19    HA   PHE   4           HA       PHE   4 -15.315  -9.481  -9.481
   20   1HB   PHE   4          2HB       PHE   4 -18.107  -8.257  -8.257
   21   2HB   PHE   4          1HB       PHE   4 -17.234  -8.545  -8.545
   22    HD1  PHE   4           HD1      PHE   4 -16.705 -10.979 -10.979
   23    HD2  PHE   4           HD2      PHE   4 -19.484  -9.969  -9.969
   24    HE1  PHE   4           HE1      PHE   4 -17.686 -13.223 -13.223
   25    HE2  PHE   4           HE2      PHE   4 -20.461 -12.210 -12.210
   26    HZ   PHE   4           HZ       PHE   4 -19.567 -13.844 -13.844
   27    H    ARG   5           H        ARG   5 -14.812  -8.265  -8.265
   28    HA   ARG   5           HA       ARG   5 -15.109  -5.414  -5.414
   29   1HB   ARG   5          2HB       ARG   5 -13.073  -6.728  -6.728
   30   2HB   ARG   5          1HB       ARG   5 -13.942  -5.228  -5.228
   31   1HG   ARG   5          2HG       ARG   5 -16.078  -6.848  -6.848
   32   2HG   ARG   5          1HG       ARG   5 -14.895  -8.069  -8.069
   33   1HD   ARG   5          2HD       ARG   5 -14.548  -5.721  -5.721
   34   2HD   ARG   5          1HD       ARG   5 -16.215  -6.257  -6.257
   35    HE   ARG   5           HE       ARG   5 -15.553  -8.194  -8.194
   36   1HH1  ARG   5          2HH1      ARG   5 -12.801  -6.659  -6.659
   37   2HH1  ARG   5          1HH1      ARG   5 -11.670  -7.716  -7.716
   38   1HH2  ARG   5          1HH2      ARG   5 -14.137  -9.532  -9.532
   39   2HH2  ARG   5          2HH2      ARG   5 -12.436  -9.364  -9.364
   40    H    HIS   6           H        HIS   6 -13.492  -7.217  -7.217
   41    HA   HIS   6           HA       HIS   6 -10.859  -5.999  -5.999
   42   1HB   HIS   6          2HB       HIS   6 -12.249  -7.877  -7.877
   43   2HB   HIS   6          1HB       HIS   6 -10.525  -7.522  -7.522
   44    HD1  HIS   6           HD1      HIS   6  -9.197  -8.802  -8.802
   45    HD2  HIS   6           HD2      HIS   6 -13.207  -9.409  -9.409
   46    HE1  HIS   6           HE1      HIS   6  -9.445 -10.603 -10.603
   47    H    ASP   7           H        ASP   7 -13.959  -5.416  -5.416
   48    HA   ASP   7           HA       ASP   7 -14.831  -3.871  -3.871
   49   1HB   ASP   7          2HB       ASP   7 -13.345  -2.379  -2.379
   50   2HB   ASP   7          1HB       ASP   7 -12.170  -2.366  -2.366
   51    H    SER   8           H        SER   8 -13.317  -6.092  -6.092
   52    HA   SER   8           HA       SER   8 -11.555  -5.779  -5.779
   53   1HB   SER   8          2HB       SER   8 -13.830  -7.813  -7.813
   54   2HB   SER   8          1HB       SER   8 -12.370  -7.998  -7.998
   55    HG   SER   8           HG       SER   8 -11.691  -7.226  -7.226
   56    H    GLY   9           H        GLY   9 -14.849  -4.882  -4.882
   57   1HA   GLY   9          2HA       GLY   9 -15.558  -5.029  -5.029
   58   2HA   GLY   9          1HA       GLY   9 -16.194  -3.844  -3.844
   59    H    TYR  10           H        TYR  10 -13.455  -2.758  -2.758
   60    HA   TYR  10           HA       TYR  10 -13.482  -0.740  -0.740
   61   1HB   TYR  10          2HB       TYR  10 -11.997   0.388   0.388
   62   2HB   TYR  10          1HB       TYR  10 -12.731  -0.697  -0.697
   63    HD1  TYR  10           HD1      TYR  10 -11.373  -3.270  -3.270
   64    HD2  TYR  10           HD2      TYR  10  -9.760   0.674   0.674
   65    HE1  TYR  10           HE1      TYR  10  -9.165  -4.154  -4.154
   66    HE2  TYR  10           HE2      TYR  10  -7.552  -0.218  -0.218
   67    HH   TYR  10           HH       TYR  10  -6.565  -3.063  -3.063
   68    H    GLU  11           H        GLU  11 -11.125  -0.117  -0.117
   69    HA   GLU  11           HA       GLU  11  -9.307  -2.164  -2.164
   70   1HB   GLU  11          2HB       GLU  11 -11.110  -2.988  -2.988
   71   2HB   GLU  11          1HB       GLU  11 -11.432  -1.365  -1.365
   72   1HG   GLU  11          2HG       GLU  11 -10.122  -2.624  -2.624
   73   2HG   GLU  11          1HG       GLU  11  -9.166  -1.294  -1.294
   74    H    VAL  12           H        VAL  12  -7.629  -0.982  -0.982
   75    HA   VAL  12           HA       VAL  12  -7.601   1.847   1.847
   76    HB   VAL  12           HB       VAL  12  -5.558  -0.161  -0.161
   77   1HG1  VAL  12          1HG1      VAL  12  -5.246   2.831   2.831
   78   2HG1  VAL  12          3HG1      VAL  12  -4.251   2.025   2.025
   79   3HG1  VAL  12          2HG1      VAL  12  -4.153   1.539   1.539
   80   1HG2  VAL  12          2HG2      VAL  12  -7.401   0.387   0.387
   81   2HG2  VAL  12          1HG2      VAL  12  -5.832   0.856   0.856
   82   3HG2  VAL  12          3HG2      VAL  12  -6.915   2.072   2.072
   83    H    HIS  13           H        HIS  13  -7.534  -0.766  -0.766
   84    HA   HIS  13           HA       HIS  13  -7.117  -1.203  -1.203
   85   1HB   HIS  13          2HB       HIS  13  -7.717   1.360   1.360
   86   2HB   HIS  13          1HB       HIS  13  -5.990   1.609   1.609
   87    HD1  HIS  13           HD1      HIS  13  -4.971   0.471   0.471
   88    HD2  HIS  13           HD2      HIS  13  -9.047   0.334   0.334
   89    HE1  HIS  13           HE1      HIS  13  -5.711  -0.116  -0.116
   90    H    HIS  14           H        HIS  14  -4.832  -0.555  -0.555
   91    HA   HIS  14           HA       HIS  14  -2.465  -0.524  -0.524
   92   1HB   HIS  14          2HB       HIS  14  -1.848  -3.080  -3.080
   93   2HB   HIS  14          1HB       HIS  14  -2.876  -2.736  -2.736
   94    HD1  HIS  14           HD1      HIS  14  -3.517  -3.318  -3.318
   95    HD2  HIS  14           HD2      HIS  14  -5.145  -4.242  -4.242
   96    HE1  HIS  14           HE1      HIS  14  -5.495  -4.721  -4.721
   97    H    GLN  15           H        GLN  15  -2.372   1.039   1.039
   98    HA   GLN  15           HA       GLN  15  -0.674   0.063   0.063
   99   1HB   GLN  15          2HB       GLN  15  -1.886   1.647   1.647
  100   2HB   GLN  15          1HB       GLN  15  -2.947   0.414   0.414
  101   1HG   GLN  15          2HG       GLN  15  -3.820   1.973   1.973
  102   2HG   GLN  15          1HG       GLN  15  -2.706   3.227   3.227
  103   1HE2  GLN  15          2HE2      GLN  15  -6.113   3.640   3.640
  104   2HE2  GLN  15          1HE2      GLN  15  -5.644   3.366   3.366
  105    H    PHE  16           H        PHE  16  -0.102   1.237   1.237
  106    HA   PHE  16           HA       PHE  16   1.348   3.724   3.724
  107   1HB   PHE  16          2HB       PHE  16  -0.344   4.273   4.273
  108   2HB   PHE  16          1HB       PHE  16   0.218   2.949   2.949
  109    HD1  PHE  16           HD2      PHE  16   1.136   6.258   6.258
  110    HD2  PHE  16           HD1      PHE  16   2.246   3.180   3.180
  111    HE1  PHE  16           HE2      PHE  16   2.827   7.738   7.738
  112    HE2  PHE  16           HE1      PHE  16   3.934   4.661   4.661
  113    HZ   PHE  16           HZ       PHE  16   4.228   6.943   6.943
  114    H    LEU  17           H        LEU  17   1.249   0.971   0.971
  115    HA   LEU  17           HA       LEU  17   4.012   0.913   0.913
  116   1HB   LEU  17          2HB       LEU  17   2.043  -1.412  -1.412
  117   2HB   LEU  17          1HB       LEU  17   3.522  -1.391  -1.391
  118    HG   LEU  17           HG       LEU  17   2.160   0.922   0.922
  119   1HD1  LEU  17          3HD1      LEU  17   0.092   0.148   0.148
  120   2HD1  LEU  17          2HD1      LEU  17   0.146  -1.354  -1.354
  121   3HD1  LEU  17          1HD1      LEU  17  -0.126   0.168   0.168
  122   1HD2  LEU  17          3HD2      LEU  17   2.143  -1.869  -1.869
  123   2HD2  LEU  17          2HD2      LEU  17   3.410  -0.668  -0.668
  124   3HD2  LEU  17          1HD2      LEU  17   1.811  -0.376  -0.376
  125    H    VAL  18           H        VAL  18   2.038  -0.463  -0.463
  126    HA   VAL  18           HA       VAL  18   4.120  -1.999  -1.999
  127    HB   VAL  18           HB       VAL  18   1.404  -1.033  -1.033
  128   1HG1  VAL  18          3HG1      VAL  18   3.437  -2.982  -2.982
  129   2HG1  VAL  18          2HG1      VAL  18   1.728  -3.148  -3.148
  130   3HG1  VAL  18          1HG1      VAL  18   2.575  -1.686  -1.686
  131   1HG2  VAL  18          2HG2      VAL  18   2.358  -3.614  -3.614
  132   2HG2  VAL  18          1HG2      VAL  18   1.250  -2.444  -2.444
  133   3HG2  VAL  18          3HG2      VAL  18   0.753  -3.402  -3.402
  134    H    PHE  19           H        PHE  19   2.576   1.076   1.076
  135    HA   PHE  19           HA       PHE  19   3.911   1.895   1.895
  136   1HB   PHE  19          2HB       PHE  19   2.089   3.233   3.233
  137   2HB   PHE  19          1HB       PHE  19   3.081   3.605   3.605
  138    HD1  PHE  19           HD2      PHE  19   3.009   3.964   3.964
  139    HD2  PHE  19           HD1      PHE  19   4.464   5.531   5.531
  140    HE1  PHE  19           HE2      PHE  19   3.932   5.905   5.905
  141    HE2  PHE  19           HE1      PHE  19   5.383   7.467   7.467
  142    HZ   PHE  19           HZ       PHE  19   5.120   7.660   7.660
  143    H    PHE  20           H        PHE  20   4.961   1.808   1.808
  144    HA   PHE  20           HA       PHE  20   7.473   3.189   3.189
  145   1HB   PHE  20          2HB       PHE  20   6.008   1.825   1.825
  146   2HB   PHE  20          1HB       PHE  20   7.752   1.806   1.806
  147    HD1  PHE  20           HD1      PHE  20   5.189   4.311   4.311
  148    HD2  PHE  20           HD2      PHE  20   8.557   3.550   3.550
  149    HE1  PHE  20           HE1      PHE  20   5.123   6.627   6.627
  150    HE2  PHE  20           HE2      PHE  20   8.487   5.871   5.871
  151    HZ   PHE  20           HZ       PHE  20   6.771   7.414   7.414
  152    H    ALA  21           H        ALA  21   6.472  -0.146  -0.146
  153    HA   ALA  21           HA       ALA  21   8.829  -1.534  -1.534
  154   1HB   ALA  21          2HB       ALA  21   6.445  -2.422  -2.422
  155   2HB   ALA  21          1HB       ALA  21   6.379  -2.430  -2.430
  156   3HB   ALA  21          3HB       ALA  21   7.548  -3.437  -3.437
  157    H    GLU  22           H        GLU  22   7.048  -0.482  -0.482
  158    HA   GLU  22           HA       GLU  22   8.528  -1.578  -1.578
  159   1HB   GLU  22          2HB       GLU  22   6.832   0.888   0.888
  160   2HB   GLU  22          1HB       GLU  22   7.783   0.743   0.743
  161   1HG   GLU  22          2HG       GLU  22   5.813  -0.322  -0.322
  162   2HG   GLU  22          1HG       GLU  22   6.788  -1.692  -1.692
  163    H    ASP  23           H        ASP  23   9.556   0.914   0.914
  164    HA   ASP  23           HA       ASP  23  12.082   1.163   1.163
  165   1HB   ASP  23          2HB       ASP  23  10.313   2.975   2.975
  166   2HB   ASP  23          1HB       ASP  23  10.581   3.628   3.628
  167    H    VAL  24           H        VAL  24  11.154  -0.056  -0.056
  168    HA   VAL  24           HA       VAL  24  13.043   1.260   1.260
  169    HB   VAL  24           HB       VAL  24  10.277   0.235   0.235
  170   1HG1  VAL  24          1HG1      VAL  24  12.474   0.930   0.930
  171   2HG1  VAL  24          3HG1      VAL  24  10.777   0.925   0.925
  172   3HG1  VAL  24          2HG1      VAL  24  11.537  -0.556  -0.556
  173   1HG2  VAL  24          3HG2      VAL  24  10.636   2.691   2.691
  174   2HG2  VAL  24          2HG2      VAL  24   9.749   2.489   2.489
  175   3HG2  VAL  24          1HG2      VAL  24  11.436   2.958   2.958
  176    H    GLY  25           H        GLY  25  11.535  -1.591  -1.591
  177   1HA   GLY  25          2HA       GLY  25  12.945  -3.601  -3.601
  178   2HA   GLY  25          1HA       GLY  25  13.532  -3.340  -3.340
  179    H    SER  26           H        SER  26  12.776  -5.590  -5.590
  180    HA   SER  26           HA       SER  26  10.222  -5.695  -5.695
  181   1HB   SER  26          2HB       SER  26   9.521  -5.976  -5.976
  182   2HB   SER  26          1HB       SER  26  10.529  -7.428  -7.428
  183    HG   SER  26           HG       SER  26   8.093  -7.126  -7.126
  184    H    ASN  27           H        ASN  27  12.108  -6.087  -6.087
  185    HA   ASN  27           HA       ASN  27  13.682  -8.451  -8.451
  186   1HB   ASN  27          2HB       ASN  27  12.695  -6.973  -6.973
  187   2HB   ASN  27          1HB       ASN  27  14.123  -7.992  -7.992
  188   1HD2  ASN  27          2HD2      ASN  27  14.751  -4.207  -4.207
  189   2HD2  ASN  27          1HD2      ASN  27  13.619  -4.934  -4.934
  190    H    LYS  28           H        LYS  28  10.489  -7.814  -7.814
  191    HA   LYS  28           HA       LYS  28  10.097 -10.435 -10.435
  192   1HB   LYS  28          2HB       LYS  28   8.125  -8.208  -8.208
  193   2HB   LYS  28          1HB       LYS  28   7.753  -9.620  -9.620
  194   1HG   LYS  28          2HG       LYS  28   8.611  -8.658  -8.658
  195   2HG   LYS  28          1HG       LYS  28  10.157  -8.415  -8.415
  196   1HD   LYS  28          2HD       LYS  28   9.475  -6.224  -6.224
  197   2HD   LYS  28          1HD       LYS  28   9.093  -6.335  -6.335
  198   1HE   LYS  28          2HE       LYS  28   6.721  -6.856  -6.856
  199   2HE   LYS  28          1HE       LYS  28   7.104  -6.809  -6.809
  200   1HZ   LYS  28          2HZ       LYS  28   8.028  -4.447  -4.447
  201   2HZ   LYS  28          1HZ       LYS  28   6.427  -4.696  -4.696
  202   3HZ   LYS  28          3HZ       LYS  28   6.796  -4.652  -4.652

  Start of MODEL   14
    1   1H    ASP   1          2H        ASP   1  -2.364 -20.854 -20.854
    2   2H    ASP   1          1H        ASP   1  -2.804 -22.345 -22.345
    3   3H    ASP   1          3H        ASP   1  -3.389 -20.896 -20.896
    4    HA   ASP   1           HA       ASP   1  -1.680 -20.766 -20.766
    5   1HB   ASP   1          2HB       ASP   1  -1.658 -23.262 -23.262
    6   2HB   ASP   1          1HB       ASP   1  -0.636 -23.236 -23.236
    7    H    ALA   2           H        ALA   2   0.077 -19.538 -19.538
    8    HA   ALA   2           HA       ALA   2   1.705 -18.038 -18.038
    9   1HB   ALA   2          1HB       ALA   2   2.998 -20.166 -20.166
   10   2HB   ALA   2          3HB       ALA   2   2.485 -20.465 -20.465
   11   3HB   ALA   2          2HB       ALA   2   3.536 -19.104 -19.104
   12    H    GLU   3           H        GLU   3  -0.082 -16.853 -16.853
   13    HA   GLU   3           HA       GLU   3  -0.373 -16.973 -16.973
   14   1HB   GLU   3          2HB       GLU   3  -1.722 -15.528 -15.528
   15   2HB   GLU   3          1HB       GLU   3  -1.920 -14.856 -14.856
   16   1HG   GLU   3          2HG       GLU   3  -3.731 -16.504 -16.504
   17   2HG   GLU   3          1HG       GLU   3  -2.917 -16.893 -16.893
   18    H    PHE   4           H        PHE   4   2.157 -16.218 -16.218
   19    HA   PHE   4           HA       PHE   4   2.578 -13.394 -13.394
   20   1HB   PHE   4          2HB       PHE   4   4.687 -15.504 -15.504
   21   2HB   PHE   4          1HB       PHE   4   4.859 -13.759 -13.759
   22    HD1  PHE   4           HD2      PHE   4   3.129 -12.556 -12.556
   23    HD2  PHE   4           HD1      PHE   4   4.016 -16.722 -16.722
   24    HE1  PHE   4           HE2      PHE   4   2.272 -12.642 -12.642
   25    HE2  PHE   4           HE1      PHE   4   3.159 -16.801 -16.801
   26    HZ   PHE   4           HZ       PHE   4   2.284 -14.764 -14.764
   27    H    ARG   5           H        ARG   5   1.649 -15.338 -15.338
   28    HA   ARG   5           HA       ARG   5   3.187 -14.667 -14.667
   29   1HB   ARG   5          2HB       ARG   5   3.340 -17.149 -17.149
   30   2HB   ARG   5          1HB       ARG   5   4.382 -16.738 -16.738
   31   1HG   ARG   5          2HG       ARG   5   3.440 -18.488 -18.488
   32   2HG   ARG   5          1HG       ARG   5   2.036 -17.475 -17.475
   33   1HD   ARG   5          2HD       ARG   5   1.027 -18.380 -18.380
   34   2HD   ARG   5          1HD       ARG   5   2.459 -19.367 -19.367
   35    HE   ARG   5           HE       ARG   5   1.703 -20.836 -20.836
   36   1HH1  ARG   5          2HH1      ARG   5  -0.048 -17.848 -17.848
   37   2HH1  ARG   5          1HH1      ARG   5  -1.201 -18.444 -18.444
   38   1HH2  ARG   5          1HH2      ARG   5   0.258 -21.613 -21.613
   39   2HH2  ARG   5          2HH2      ARG   5  -1.027 -20.613 -20.613
   40    H    HIS   6           H        HIS   6   0.688 -14.283 -14.283
   41    HA   HIS   6           HA       HIS   6  -1.203 -15.009 -15.009
   42   1HB   HIS   6          2HB       HIS   6  -1.272 -15.847 -15.847
   43   2HB   HIS   6          1HB       HIS   6  -2.687 -14.877 -14.877
   44    HD1  HIS   6           HD1      HIS   6  -0.931 -17.623 -17.623
   45    HD2  HIS   6           HD2      HIS   6  -4.703 -16.508 -16.508
   46    HE1  HIS   6           HE1      HIS   6  -2.457 -19.329 -19.329
   47    H    ASP   7           H        ASP   7  -0.665 -13.021 -13.021
   48    HA   ASP   7           HA       ASP   7  -1.196 -10.800 -10.800
   49   1HB   ASP   7          2HB       ASP   7   0.349 -10.107 -10.107
   50   2HB   ASP   7          1HB       ASP   7  -0.538 -10.844 -10.844
   51    H    SER   8           H        SER   8  -3.166 -12.203 -12.203
   52    HA   SER   8           HA       SER   8  -5.484 -12.441 -12.441
   53   1HB   SER   8          2HB       SER   8  -5.175  -9.912  -9.912
   54   2HB   SER   8          1HB       SER   8  -5.590  -9.588  -9.588
   55    HG   SER   8           HG       SER   8  -7.306 -11.383 -11.383
   56    H    GLY   9           H        GLY   9  -4.094 -13.305 -13.305
   57   1HA   GLY   9          2HA       GLY   9  -4.887 -14.528 -14.528
   58   2HA   GLY   9          1HA       GLY   9  -6.298 -13.456 -13.456
   59    H    TYR  10           H        TYR  10  -5.248 -11.050 -11.050
   60    HA   TYR  10           HA       TYR  10  -2.954 -10.376 -10.376
   61   1HB   TYR  10          2HB       TYR  10  -4.879 -11.430 -11.430
   62   2HB   TYR  10          1HB       TYR  10  -5.163  -9.706  -9.706
   63    HD1  TYR  10           HD2      TYR  10  -3.332  -8.178  -8.178
   64    HD2  TYR  10           HD1      TYR  10  -2.763 -12.394 -12.394
   65    HE1  TYR  10           HE2      TYR  10  -1.322  -7.908  -7.908
   66    HE2  TYR  10           HE1      TYR  10  -0.755 -12.128 -12.128
   67    HH   TYR  10           HH       TYR  10   0.968  -9.657  -9.657
   68    H    GLU  11           H        GLU  11  -3.007  -8.068  -8.068
   69    HA   GLU  11           HA       GLU  11  -5.099  -6.296  -6.296
   70   1HB   GLU  11          2HB       GLU  11  -4.103  -6.855  -6.855
   71   2HB   GLU  11          1HB       GLU  11  -2.517  -6.422  -6.422
   72   1HG   GLU  11          2HG       GLU  11  -4.803  -4.419  -4.419
   73   2HG   GLU  11          1HG       GLU  11  -3.851  -4.622  -4.622
   74    H    VAL  12           H        VAL  12  -4.940  -4.789  -4.789
   75    HA   VAL  12           HA       VAL  12  -2.295  -4.116  -4.116
   76    HB   VAL  12           HB       VAL  12  -4.949  -4.438  -4.438
   77   1HG1  VAL  12          2HG1      VAL  12  -2.525  -2.921  -2.921
   78   2HG1  VAL  12          1HG1      VAL  12  -3.731  -3.599  -3.599
   79   3HG1  VAL  12          3HG1      VAL  12  -4.187  -2.358  -2.358
   80   1HG2  VAL  12          2HG2      VAL  12  -2.203  -5.640  -5.640
   81   2HG2  VAL  12          1HG2      VAL  12  -3.698  -6.448  -6.448
   82   3HG2  VAL  12          3HG2      VAL  12  -3.497  -5.836  -5.836
   83    H    HIS  13           H        HIS  13  -5.558  -2.995  -2.995
   84    HA   HIS  13           HA       HIS  13  -6.611  -1.056  -1.056
   85   1HB   HIS  13          2HB       HIS  13  -4.839  -0.970  -0.970
   86   2HB   HIS  13          1HB       HIS  13  -3.856   0.040   0.040
   87    HD1  HIS  13           HD1      HIS  13  -5.248   2.251   2.251
   88    HD2  HIS  13           HD2      HIS  13  -6.614   0.482   0.482
   89    HE1  HIS  13           HE1      HIS  13  -6.649   3.933   3.933
   90    H    HIS  14           H        HIS  14  -3.514  -0.383  -0.383
   91    HA   HIS  14           HA       HIS  14  -4.698   0.851   0.851
   92   1HB   HIS  14          2HB       HIS  14  -3.583   2.560   2.560
   93   2HB   HIS  14          1HB       HIS  14  -3.195   3.058   3.058
   94    HD1  HIS  14           HD1      HIS  14  -5.739   3.518   3.518
   95    HD2  HIS  14           HD2      HIS  14  -5.753   3.158   3.158
   96    HE1  HIS  14           HE1      HIS  14  -7.889   4.447   4.447
   97    H    GLN  15           H        GLN  15  -2.944   1.629   1.629
   98    HA   GLN  15           HA       GLN  15  -0.802  -0.332  -0.332
   99   1HB   GLN  15          2HB       GLN  15  -1.826   1.799   1.799
  100   2HB   GLN  15          1HB       GLN  15  -0.196   1.227   1.227
  101   1HG   GLN  15          2HG       GLN  15  -2.458  -0.752  -0.752
  102   2HG   GLN  15          1HG       GLN  15  -2.160  -0.025  -0.025
  103   1HE2  GLN  15          2HE2      GLN  15   0.416  -2.827  -2.827
  104   2HE2  GLN  15          1HE2      GLN  15  -0.840  -2.218  -2.218
  105    H    PHE  16           H        PHE  16  -0.877   1.898   1.898
  106    HA   PHE  16           HA       PHE  16   1.435   3.560   3.560
  107   1HB   PHE  16          2HB       PHE  16   1.169   4.292   4.292
  108   2HB   PHE  16          1HB       PHE  16  -0.461   3.897   3.897
  109    HD1  PHE  16           HD2      PHE  16  -1.571   1.829   1.829
  110    HD2  PHE  16           HD1      PHE  16   2.315   2.953   2.953
  111    HE1  PHE  16           HE2      PHE  16  -1.762   0.275   0.275
  112    HE2  PHE  16           HE1      PHE  16   2.115   1.395   1.395
  113    HZ   PHE  16           HZ       PHE  16   0.074   0.052   0.052
  114    H    LEU  17           H        LEU  17   0.984   0.344   0.344
  115    HA   LEU  17           HA       LEU  17   3.472  -0.103  -0.103
  116   1HB   LEU  17          2HB       LEU  17   1.621  -2.014  -2.014
  117   2HB   LEU  17          1HB       LEU  17   2.944  -2.551  -2.551
  118    HG   LEU  17           HG       LEU  17   0.812  -0.705  -0.705
  119   1HD1  LEU  17          1HD1      LEU  17   0.630  -3.734  -3.734
  120   2HD1  LEU  17          3HD1      LEU  17  -0.400  -2.763  -2.763
  121   3HD1  LEU  17          2HD1      LEU  17  -0.467  -2.555  -2.555
  122   1HD2  LEU  17          2HD2      LEU  17   2.630  -2.834  -2.834
  123   2HD2  LEU  17          1HD2      LEU  17   2.836  -1.096  -1.096
  124   3HD2  LEU  17          3HD2      LEU  17   1.461  -1.881  -1.881
  125    H    VAL  18           H        VAL  18   2.267  -0.449  -0.449
  126    HA   VAL  18           HA       VAL  18   4.691  -1.420  -1.420
  127    HB   VAL  18           HB       VAL  18   1.993  -0.504  -0.504
  128   1HG1  VAL  18          1HG1      VAL  18   4.399  -0.094  -0.094
  129   2HG1  VAL  18          3HG1      VAL  18   2.792  -0.397  -0.397
  130   3HG1  VAL  18          2HG1      VAL  18   3.095   1.028   1.028
  131   1HG2  VAL  18          2HG2      VAL  18   3.963  -2.649  -2.649
  132   2HG2  VAL  18          1HG2      VAL  18   2.591  -2.850  -2.850
  133   3HG2  VAL  18          3HG2      VAL  18   2.329  -2.506  -2.506
  134    H    PHE  19           H        PHE  19   3.188   1.720   1.720
  135    HA   PHE  19           HA       PHE  19   5.279   3.181   3.181
  136   1HB   PHE  19          2HB       PHE  19   2.811   3.909   3.909
  137   2HB   PHE  19          1HB       PHE  19   3.480   4.356   4.356
  138    HD1  PHE  19           HD1      PHE  19   3.939   4.900   4.900
  139    HD2  PHE  19           HD2      PHE  19   4.601   6.445   6.445
  140    HE1  PHE  19           HE1      PHE  19   4.741   7.008   7.008
  141    HE2  PHE  19           HE2      PHE  19   5.402   8.551   8.551
  142    HZ   PHE  19           HZ       PHE  19   5.474   8.837   8.837
  143    H    PHE  20           H        PHE  20   5.553   1.409   1.409
  144    HA   PHE  20           HA       PHE  20   7.823   2.997   2.997
  145   1HB   PHE  20          2HB       PHE  20   5.598   3.231   3.231
  146   2HB   PHE  20          1HB       PHE  20   5.922   1.587   1.587
  147    HD1  PHE  20           HD1      PHE  20   7.594   4.928   4.928
  148    HD2  PHE  20           HD2      PHE  20   7.391   1.265   1.265
  149    HE1  PHE  20           HE1      PHE  20   9.207   5.800   5.800
  150    HE2  PHE  20           HE2      PHE  20   9.004   2.143   2.143
  151    HZ   PHE  20           HZ       PHE  20   9.916   4.411   4.411
  152    H    ALA  21           H        ALA  21   7.129   0.259   0.259
  153    HA   ALA  21           HA       ALA  21   9.328  -1.174  -1.174
  154   1HB   ALA  21          2HB       ALA  21   7.149  -2.001  -2.001
  155   2HB   ALA  21          1HB       ALA  21   6.654  -2.553  -2.553
  156   3HB   ALA  21          3HB       ALA  21   8.057  -3.267  -3.267
  157    H    GLU  22           H        GLU  22   7.136  -0.843  -0.843
  158    HA   GLU  22           HA       GLU  22   8.408  -2.712  -2.712
  159   1HB   GLU  22          2HB       GLU  22   5.980  -1.597  -1.597
  160   2HB   GLU  22          1HB       GLU  22   6.780  -0.307  -0.307
  161   1HG   GLU  22          2HG       GLU  22   7.578  -1.956  -1.956
  162   2HG   GLU  22          1HG       GLU  22   6.761  -3.246  -3.246
  163    H    ASP  23           H        ASP  23   8.366   0.635   0.635
  164    HA   ASP  23           HA       ASP  23  10.440   1.414   1.414
  165   1HB   ASP  23          2HB       ASP  23  10.007   3.692   3.692
  166   2HB   ASP  23          1HB       ASP  23   8.479   2.880   2.880
  167    H    VAL  24           H        VAL  24  10.123   1.189   1.189
  168    HA   VAL  24           HA       VAL  24  12.799   2.067   2.067
  169    HB   VAL  24           HB       VAL  24  10.770   0.472   0.472
  170   1HG1  VAL  24          3HG1      VAL  24  13.360   1.769   1.769
  171   2HG1  VAL  24          2HG1      VAL  24  12.103   1.215   1.215
  172   3HG1  VAL  24          1HG1      VAL  24  12.951   0.063   0.063
  173   1HG2  VAL  24          3HG2      VAL  24  11.474   3.436   3.436
  174   2HG2  VAL  24          2HG2      VAL  24   9.959   2.719   2.719
  175   3HG2  VAL  24          1HG2      VAL  24  10.403   2.687   2.687
  176    H    GLY  25           H        GLY  25  11.227  -1.080  -1.080
  177   1HA   GLY  25          2HA       GLY  25  13.774  -2.545  -2.545
  178   2HA   GLY  25          1HA       GLY  25  12.155  -3.254  -3.254
  179    H    SER  26           H        SER  26  13.068  -4.728  -4.728
  180    HA   SER  26           HA       SER  26  13.261  -5.538  -5.538
  181   1HB   SER  26          2HB       SER  26  11.744  -3.059  -3.059
  182   2HB   SER  26          1HB       SER  26  11.677  -4.701  -4.701
  183    HG   SER  26           HG       SER  26  10.181  -5.079  -5.079
  184    H    ASN  27           H        ASN  27  15.066  -3.256  -3.256
  185    HA   ASN  27           HA       ASN  27  16.063  -1.727  -1.727
  186   1HB   ASN  27          2HB       ASN  27  16.594  -1.471  -1.471
  187   2HB   ASN  27          1HB       ASN  27  17.720  -2.808  -2.808
  188   1HD2  ASN  27          2HD2      ASN  27  18.678   0.872   0.872
  189   2HD2  ASN  27          1HD2      ASN  27  17.122   0.561   0.561
  190    H    LYS  28           H        LYS  28  16.621  -4.994  -4.994
  191    HA   LYS  28           HA       LYS  28  18.979  -5.529  -5.529
  192   1HB   LYS  28          2HB       LYS  28  18.359  -7.918  -7.918
  193   2HB   LYS  28          1HB       LYS  28  18.218  -7.004  -7.004
  194   1HG   LYS  28          2HG       LYS  28  15.680  -6.703  -6.703
  195   2HG   LYS  28          1HG       LYS  28  16.004  -8.046  -8.046
  196   1HD   LYS  28          2HD       LYS  28  16.704  -9.455  -9.455
  197   2HD   LYS  28          1HD       LYS  28  16.513  -8.110  -8.110
  198   1HE   LYS  28          2HE       LYS  28  14.222  -9.200  -9.200
  199   2HE   LYS  28          1HE       LYS  28  14.547  -9.723  -9.723
  200   1HZ   LYS  28          1HZ       LYS  28  14.551  -6.930  -6.930
  201   2HZ   LYS  28          3HZ       LYS  28  13.158  -7.467  -7.467
  202   3HZ   LYS  28          2HZ       LYS  28  13.466  -7.978  -7.978

  Start of MODEL   15
    1   1H    ASP   1          1H        ASP   1   3.785  17.924  17.924
    2   2H    ASP   1          3H        ASP   1   3.960  19.499  19.499
    3   3H    ASP   1          2H        ASP   1   3.963  18.174  18.174
    4    HA   ASP   1           HA       ASP   1   6.130  17.974  17.974
    5   1HB   ASP   1          2HB       ASP   1   7.392  19.795  19.795
    6   2HB   ASP   1          1HB       ASP   1   5.954  20.492  20.492
    7    H    ALA   2           H        ALA   2   7.697  18.486  18.486
    8    HA   ALA   2           HA       ALA   2   6.736  16.742  16.742
    9   1HB   ALA   2          2HB       ALA   2   8.881  15.676  15.676
   10   2HB   ALA   2          1HB       ALA   2   8.469  14.922  14.922
   11   3HB   ALA   2          3HB       ALA   2   7.287  14.978  14.978
   12    H    GLU   3           H        GLU   3   7.345  18.952  18.952
   13    HA   GLU   3           HA       GLU   3  10.194  19.525  19.525
   14   1HB   GLU   3          2HB       GLU   3   8.172  21.196  21.196
   15   2HB   GLU   3          1HB       GLU   3   7.921  20.989  20.989
   16   1HG   GLU   3          2HG       GLU   3  10.419  21.655  21.655
   17   2HG   GLU   3          1HG       GLU   3  10.362  22.121  22.121
   18    H    PHE   4           H        PHE   4   9.184  17.112  17.112
   19    HA   PHE   4           HA       PHE   4   9.225  15.850  15.850
   20   1HB   PHE   4          2HB       PHE   4  11.453  17.832  17.832
   21   2HB   PHE   4          1HB       PHE   4  11.282  16.209  16.209
   22    HD1  PHE   4           HD1      PHE   4  11.305  14.223  14.223
   23    HD2  PHE   4           HD2      PHE   4  12.427  18.148  18.148
   24    HE1  PHE   4           HE1      PHE   4  12.420  13.287  13.287
   25    HE2  PHE   4           HE2      PHE   4  13.539  17.205  17.205
   26    HZ   PHE   4           HZ       PHE   4  13.539  14.776  14.776
   27    H    ARG   5           H        ARG   5   7.276  17.828  17.828
   28    HA   ARG   5           HA       ARG   5   6.793  18.008  18.008
   29   1HB   ARG   5          2HB       ARG   5   6.359  20.499  20.499
   30   2HB   ARG   5          1HB       ARG   5   8.024  20.120  20.120
   31   1HG   ARG   5          2HG       ARG   5   7.770  21.440  21.440
   32   2HG   ARG   5          1HG       ARG   5   6.999  20.049  20.049
   33   1HD   ARG   5          2HD       ARG   5   4.865  20.972  20.972
   34   2HD   ARG   5          1HD       ARG   5   5.219  21.827  21.827
   35    HE   ARG   5           HE       ARG   5   6.088  23.635  23.635
   36   1HH1  ARG   5          2HH1      ARG   5   5.414  20.933  20.933
   37   2HH1  ARG   5          1HH1      ARG   5   5.596  21.855  21.855
   38   1HH2  ARG   5          1HH2      ARG   5   6.323  24.814  24.814
   39   2HH2  ARG   5          2HH2      ARG   5   6.119  24.084  24.084
   40    H    HIS   6           H        HIS   6   5.801  16.823  16.823
   41    HA   HIS   6           HA       HIS   6   3.028  16.709  16.709
   42   1HB   HIS   6          2HB       HIS   6   2.044  17.935  17.935
   43   2HB   HIS   6          1HB       HIS   6   3.126  19.078  19.078
   44    HD1  HIS   6           HD1      HIS   6   2.351  17.849  17.849
   45    HD2  HIS   6           HD2      HIS   6   5.847  18.998  18.998
   46    HE1  HIS   6           HE1      HIS   6   3.933  18.298  18.298
   47    H    ASP   7           H        ASP   7   5.423  16.659  16.659
   48    HA   ASP   7           HA       ASP   7   6.000  15.141  15.141
   49   1HB   ASP   7          2HB       ASP   7   5.268  13.211  13.211
   50   2HB   ASP   7          1HB       ASP   7   6.300  12.833  12.833
   51    H    SER   8           H        SER   8   3.952  16.084  16.084
   52    HA   SER   8           HA       SER   8   1.540  14.648  14.648
   53   1HB   SER   8          2HB       SER   8   1.763  17.023  17.023
   54   2HB   SER   8          1HB       SER   8   2.733  16.461  16.461
   55    HG   SER   8           HG       SER   8   0.961  15.854  15.854
   56    H    GLY   9           H        GLY   9   4.155  14.775  14.775
   57   1HA   GLY   9          2HA       GLY   9   4.792  13.364  13.364
   58   2HA   GLY   9          1HA       GLY   9   4.526  12.085  12.085
   59    H    TYR  10           H        TYR  10   2.383  14.307  14.307
   60    HA   TYR  10           HA       TYR  10   0.356  14.078  14.078
   61   1HB   TYR  10          2HB       TYR  10   0.474  12.711  12.711
   62   2HB   TYR  10          1HB       TYR  10   2.046  13.416  13.416
   63    HD1  TYR  10           HD2      TYR  10   0.124  10.239  10.239
   64    HD2  TYR  10           HD1      TYR  10   3.969  12.023  12.023
   65    HE1  TYR  10           HE2      TYR  10   1.119   8.033   8.033
   66    HE2  TYR  10           HE1      TYR  10   4.971   9.793   9.793
   67    HH   TYR  10           HH       TYR  10   4.174   7.436   7.436
   68    H    GLU  11           H        GLU  11  -1.199  12.146  12.146
   69    HA   GLU  11           HA       GLU  11  -1.535   9.956   9.956
   70   1HB   GLU  11          2HB       GLU  11  -3.937  10.812  10.812
   71   2HB   GLU  11          1HB       GLU  11  -2.588  11.594  11.594
   72   1HG   GLU  11          2HG       GLU  11  -2.635  13.448  13.448
   73   2HG   GLU  11          1HG       GLU  11  -3.816  12.650  12.650
   74    H    VAL  12           H        VAL  12  -1.293   8.862   8.862
   75    HA   VAL  12           HA       VAL  12  -3.043   9.062   9.062
   76    HB   VAL  12           HB       VAL  12  -1.172   6.981   6.981
   77   1HG1  VAL  12          1HG1      VAL  12  -2.642   7.002   7.002
   78   2HG1  VAL  12          3HG1      VAL  12  -1.302   5.930   5.930
   79   3HG1  VAL  12          2HG1      VAL  12  -2.816   5.775   5.775
   80   1HG2  VAL  12          1HG2      VAL  12  -0.519   9.362   9.362
   81   2HG2  VAL  12          3HG2      VAL  12   0.417   7.945   7.945
   82   3HG2  VAL  12          2HG2      VAL  12  -0.795   8.588   8.588
   83    H    HIS  13           H        HIS  13  -3.180   7.538   7.538
   84    HA   HIS  13           HA       HIS  13  -4.772   6.318   6.318
   85   1HB   HIS  13          2HB       HIS  13  -6.230   8.163   8.163
   86   2HB   HIS  13          1HB       HIS  13  -6.822   6.766   6.766
   87    HD1  HIS  13           HD1      HIS  13  -7.973   4.924   4.924
   88    HD2  HIS  13           HD2      HIS  13  -7.237   8.458   8.458
   89    HE1  HIS  13           HE1      HIS  13  -9.321   4.892   4.892
   90    H    HIS  14           H        HIS  14  -3.209   5.225   5.225
   91    HA   HIS  14           HA       HIS  14  -4.122   2.519   2.519
   92   1HB   HIS  14          2HB       HIS  14  -5.411   4.046   4.046
   93   2HB   HIS  14          1HB       HIS  14  -4.210   3.100   3.100
   94    HD1  HIS  14           HD1      HIS  14  -6.944   2.500   2.500
   95    HD2  HIS  14           HD2      HIS  14  -4.931   0.472   0.472
   96    HE1  HIS  14           HE1      HIS  14  -8.042   0.299   0.299
   97    H    GLN  15           H        GLN  15  -2.789   1.036   1.036
   98    HA   GLN  15           HA       GLN  15  -0.701   0.137   0.137
   99   1HB   GLN  15          2HB       GLN  15  -0.678   2.292   2.292
  100   2HB   GLN  15          1HB       GLN  15   0.341   0.863   0.863
  101   1HG   GLN  15          2HG       GLN  15  -1.957  -0.452  -0.452
  102   2HG   GLN  15          1HG       GLN  15  -2.649   1.060   1.060
  103   1HE2  GLN  15          2HE2      GLN  15  -0.086  -1.003  -1.003
  104   2HE2  GLN  15          1HE2      GLN  15   0.080  -1.164  -1.164
  105    H    PHE  16           H        PHE  16  -0.765   2.433   2.433
  106    HA   PHE  16           HA       PHE  16   1.697   3.921   3.921
  107   1HB   PHE  16          2HB       PHE  16   1.372   4.073   4.073
  108   2HB   PHE  16          1HB       PHE  16   0.352   4.978   4.978
  109    HD1  PHE  16           HD1      PHE  16  -1.985   4.301   4.301
  110    HD2  PHE  16           HD2      PHE  16   0.488   2.109   2.109
  111    HE1  PHE  16           HE1      PHE  16  -3.968   3.163   3.163
  112    HE2  PHE  16           HE2      PHE  16  -1.495   0.972   0.972
  113    HZ   PHE  16           HZ       PHE  16  -3.725   1.500   1.500
  114    H    LEU  17           H        LEU  17   0.912   0.803   0.803
  115    HA   LEU  17           HA       LEU  17   3.332   0.268   0.268
  116   1HB   LEU  17          2HB       LEU  17   1.196  -1.508  -1.508
  117   2HB   LEU  17          1HB       LEU  17   2.536  -2.172  -2.172
  118    HG   LEU  17           HG       LEU  17   0.972   0.048   0.048
  119   1HD1  LEU  17          2HD1      LEU  17  -0.087  -2.799  -2.799
  120   2HD1  LEU  17          1HD1      LEU  17  -0.743  -1.564  -1.564
  121   3HD1  LEU  17          3HD1      LEU  17  -0.834  -1.358  -1.358
  122   1HD2  LEU  17          2HD2      LEU  17   2.943  -1.034  -1.034
  123   2HD2  LEU  17          1HD2      LEU  17   1.468  -1.260  -1.260
  124   3HD2  LEU  17          3HD2      LEU  17   2.106  -2.577  -2.577
  125    H    VAL  18           H        VAL  18   2.186  -0.063  -0.063
  126    HA   VAL  18           HA       VAL  18   4.380  -1.601  -1.601
  127    HB   VAL  18           HB       VAL  18   2.403   0.238   0.238
  128   1HG1  VAL  18          2HG1      VAL  18   4.332  -0.497  -0.497
  129   2HG1  VAL  18          1HG1      VAL  18   3.931  -2.174  -2.174
  130   3HG1  VAL  18          3HG1      VAL  18   2.815  -1.174  -1.174
  131   1HG2  VAL  18          3HG2      VAL  18   2.238  -2.679  -2.679
  132   2HG2  VAL  18          2HG2      VAL  18   1.169  -1.375  -1.375
  133   3HG2  VAL  18          1HG2      VAL  18   1.138  -1.957  -1.957
  134    H    PHE  19           H        PHE  19   3.490   1.771   1.771
  135    HA   PHE  19           HA       PHE  19   5.786   2.774   2.774
  136   1HB   PHE  19          2HB       PHE  19   3.607   4.068   4.068
  137   2HB   PHE  19          1HB       PHE  19   4.297   4.281   4.281
  138    HD1  PHE  19           HD1      PHE  19   4.717   5.081   5.081
  139    HD2  PHE  19           HD2      PHE  19   6.201   5.774   5.774
  140    HE1  PHE  19           HE1      PHE  19   6.057   6.958   6.958
  141    HE2  PHE  19           HE2      PHE  19   7.539   7.649   7.649
  142    HZ   PHE  19           HZ       PHE  19   7.471   8.246   8.246
  143    H    PHE  20           H        PHE  20   5.292   1.548   1.548
  144    HA   PHE  20           HA       PHE  20   7.824   2.641   2.641
  145   1HB   PHE  20          2HB       PHE  20   5.760   2.581   2.581
  146   2HB   PHE  20          1HB       PHE  20   5.772   0.826   0.826
  147    HD1  PHE  20           HD1      PHE  20   8.033   3.693   3.693
  148    HD2  PHE  20           HD2      PHE  20   7.020  -0.391  -0.391
  149    HE1  PHE  20           HE1      PHE  20   9.662   3.595   3.595
  150    HE2  PHE  20           HE2      PHE  20   8.651  -0.480  -0.480
  151    HZ   PHE  20           HZ       PHE  20   9.976   1.510   1.510
  152    H    ALA  21           H        ALA  21   6.577  -0.202  -0.202
  153    HA   ALA  21           HA       ALA  21   8.990  -1.720  -1.720
  154   1HB   ALA  21          3HB       ALA  21   6.298  -2.677  -2.677
  155   2HB   ALA  21          2HB       ALA  21   7.671  -3.733  -3.733
  156   3HB   ALA  21          1HB       ALA  21   6.919  -2.850  -2.850
  157    H    GLU  22           H        GLU  22   6.822  -1.782  -1.782
  158    HA   GLU  22           HA       GLU  22   8.604  -2.715  -2.715
  159   1HB   GLU  22          2HB       GLU  22   6.045  -2.195  -2.195
  160   2HB   GLU  22          1HB       GLU  22   6.532  -0.618  -0.618
  161   1HG   GLU  22          2HG       GLU  22   7.777  -1.720  -1.720
  162   2HG   GLU  22          1HG       GLU  22   7.238  -3.290  -3.290
  163    H    ASP  23           H        ASP  23   8.108   0.508   0.508
  164    HA   ASP  23           HA       ASP  23  10.102   1.616   1.616
  165   1HB   ASP  23          2HB       ASP  23   7.670   2.586   2.586
  166   2HB   ASP  23          1HB       ASP  23   8.790   3.502   3.502
  167    H    VAL  24           H        VAL  24  10.733   0.084   0.084
  168    HA   VAL  24           HA       VAL  24  12.870   1.969   1.969
  169    HB   VAL  24           HB       VAL  24  11.169   0.417   0.417
  170   1HG1  VAL  24          2HG1      VAL  24  13.394   2.456   2.456
  171   2HG1  VAL  24          1HG1      VAL  24  12.273   2.060   2.060
  172   3HG1  VAL  24          3HG1      VAL  24  13.323   0.816   0.816
  173   1HG2  VAL  24          2HG2      VAL  24  11.061   3.378   3.378
  174   2HG2  VAL  24          1HG2      VAL  24   9.766   2.204   2.204
  175   3HG2  VAL  24          3HG2      VAL  24  10.271   2.717   2.717
  176    H    GLY  25           H        GLY  25  11.687  -1.340  -1.340
  177   1HA   GLY  25          2HA       GLY  25  12.825  -3.354  -3.354
  178   2HA   GLY  25          1HA       GLY  25  14.302  -2.438  -2.438
  179    H    SER  26           H        SER  26  15.474  -1.690  -1.690
  180    HA   SER  26           HA       SER  26  14.833  -2.681  -2.681
  181   1HB   SER  26          2HB       SER  26  17.084  -3.907  -3.907
  182   2HB   SER  26          1HB       SER  26  16.011  -4.635  -4.635
  183    HG   SER  26           HG       SER  26  18.369  -3.423  -3.423
  184    H    ASN  27           H        ASN  27  15.751  -0.220  -0.220
  185    HA   ASN  27           HA       ASN  27  18.091   0.866   0.866
  186   1HB   ASN  27          2HB       ASN  27  16.737   1.707   1.707
  187   2HB   ASN  27          1HB       ASN  27  15.683   2.512   2.512
  188   1HD2  ASN  27          2HD2      ASN  27  18.175   4.905   4.905
  189   2HD2  ASN  27          1HD2      ASN  27  16.824   4.054   4.054
  190    H    LYS  28           H        LYS  28  14.812   0.809   0.809
  191    HA   LYS  28           HA       LYS  28  14.894   2.710   2.710
  192   1HB   LYS  28          2HB       LYS  28  12.865   1.427   1.427
  193   2HB   LYS  28          1HB       LYS  28  12.743   1.971   1.971
  194   1HG   LYS  28          2HG       LYS  28  13.716  -0.465  -0.465
  195   2HG   LYS  28          1HG       LYS  28  13.199  -0.837  -0.837
  196   1HD   LYS  28          2HD       LYS  28  10.953  -0.696  -0.696
  197   2HD   LYS  28          1HD       LYS  28  11.166   0.549   0.549
  198   1HE   LYS  28          2HE       LYS  28  10.508  -1.592  -1.592
  199   2HE   LYS  28          1HE       LYS  28  12.128  -1.148  -1.148
  200   1HZ   LYS  28          3HZ       LYS  28  12.314  -2.641  -2.641
  201   2HZ   LYS  28          2HZ       LYS  28  11.299  -3.471  -3.471
  202   3HZ   LYS  28          1HZ       LYS  28  12.870  -3.036  -3.036