*HEADER    IMMUNE SYSTEM                           09-SEP-14   2MUG              
*TITLE     PROTECTIVE CELLULAR IMMUNITY AGAINST P. FALCIPARUM MALARIA MEROZOITE  
*TITLE    2 IS ASSOCIATED WITH A DIFFERENT P7 AND P8 RESIDUE ORIENTATION IN THE  
*TITLE    3 MHC-PEPTIDE-TCR COMPLEX                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SERINE-REPEAT ANTIGEN PROTEIN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 901-920;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
*SOURCE   4 ORGANISM_TAXID: 5838                                                 
*KEYWDS    SERINE REPEAT ANTIGEN (SERA), IMMUNE SYSTEM                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    22                                                                    
*AUTHOR    M.PATARROYO, L.SALAZAR, G.CIFUENTES, J.LOZANO, G.DELGADO, Z.RIVERA,   
*AUTHOR   2 J.ROSAS, L.VARGAS                                                    
*REVDAT   1   01-OCT-14 2MUG    0                                                


!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_9:HG1*    1:VAL_9:HG2*    1:VAL_9:CG1     1:VAL_9:CG2     1:VAL_9:CB     
1:VAL_7:HG2*    1:VAL_7:HG1*    1:VAL_7:CG2     1:VAL_7:CG1     1:VAL_7:CB     
1:VAL_3:HG1*    1:VAL_3:HG2*    1:VAL_3:CG1     1:VAL_3:CG2     1:VAL_3:CB     
!
#chiral
1:ASN_1:CA         S
1:GLU_2:CA         S
1:VAL_3:CA         S
1:SER_4:CA         S
1:GLU_5:CA         S
1:ARG_6:CA         S
1:VAL_7:CA         S
1:HIS_8:CA         S
1:VAL_9:CA         S
1:TYR_10:CA        S
1:HIS_11:CA        S
1:ILE_12:CA        S
1:ILE_12:CB        S
1:LEU_13:CA        S
1:LYS_14:CA        S
1:HIS_15:CA        S
1:ILE_16:CA        S
1:ILE_16:CB        S
1:LYS_17:CA        S
1:ASP_18:CA        S
1:LYS_20:CA        S
!
#distance
1:GLU_2:O          1:ARG_6:HN          1.800  2.500 30.00 30.00 1000.000
1:SER_4:O          1:HIS_8:HN          1.800  2.500 30.00 30.00 1000.000
1:VAL_7:O          1:HIS_11:HN         1.800  2.500 30.00 30.00 1000.000
1:HIS_11:O         1:HIS_15:HN         1.800  2.500 30.00 30.00 1000.000
1:HIS_15:O         1:GLY_19:HN         1.800  2.500 30.00 30.00 1000.000
1:ILE_16:O         1:LYS_20:HN         1.800  2.500 30.00 30.00 1000.000
!
#NOE_distance
1:SER_4:HA         1:SER_4:HB*         1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:      
1:GLU_2:HN         1:ASN_1:HA          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_1:HN         1:ASN_1:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_3:HN         1:ASN_1:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ASP_18:HN        1:ASP_18:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLY_19:HN        1:ASP_18:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:      
1:LEU_13:HN        1:LEU_13:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HN        1:LYS_17:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_9:HN         1:GLU_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:GLU_2:HN         1:GLU_2:HA          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_10:HN        1:TYR_10:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_13:HN        1:TYR_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_9:HN         1:HIS_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HN        1:HIS_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_7:HN         1:SER_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:ILE_16:HN        1:HIS_15:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:     
1:ASP_18:HN        1:HIS_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:HIS_8:HN         1:HIS_8:HA          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_20:HN        1:LYS_20:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_15:HN        1:HIS_15:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_15:HN        1:HIS_11:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_3:HN         1:GLU_2:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:SER_4:HN         1:SER_4:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:SER_4:HN         1:SER_4:HB*         1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_15:HN        1:LYS_14:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:          
1:ILE_12:HN        1:ILE_12:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:SER_4:HN         1:VAL_3:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HN         1:VAL_3:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_15:HN        1:ILE_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_3:HN         1:VAL_3:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:      
1:ILE_12:HN        1:VAL_9:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HN         1:VAL_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_7:HN         1:ARG_6:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:TYR_10:HN        1:ARG_6:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:         
1:VAL_9:HN         1:ARG_6:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_5:HN         1:SER_4:HB*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HN        1:LYS_14:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LYS_14:HN        1:LYS_14:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HN        1:ILE_16:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:ILE_16:HN        1:ILE_16:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:GLU_5:HN         1:VAL_3:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LEU_13:HN        1:ILE_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HN        1:VAL_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:         
1:VAL_7:HN         1:VAL_7:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_13:HN        1:VAL_9:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_9:HN         1:VAL_9:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_10:HN        1:VAL_9:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ILE_16:HN        1:LEU_13:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ASP_18:HN        1:LYS_17:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HN        1:HIS_8:HB*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_9:HN         1:HIS_8:HB*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_10:HN        1:TYR_10:HBR        1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:      
1:TYR_10:HN        1:TYR_10:HBS        2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_2:HN         1:ASN_1:HB*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:ARG_6:HN         1:GLU_5:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_15:HN        1:HIS_15:HBS        2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_15:HN        1:HIS_15:HBR        1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_6:HN         1:ARG_6:HD*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:GLY_19:HN        1:ASP_18:HB*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_3:HN         1:ASN_1:HB*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ILE_16:HN        1:HIS_15:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_11:HN        1:HIS_11:HBS        1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_8:HN         1:HIS_8:HB*         1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_11:HN        1:HIS_11:HBR        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:ILE_16:HN        1:HIS_15:HBR        2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:         
1:HIS_11:HN        1:TYR_10:HBR        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_11:HN        1:TYR_10:HBS        2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_15:HD2       1:ILE_16:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HD*       1:VAL_7:HA          2.700  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_11:HD2       1:VAL_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HD2        1:VAL_9:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:          
1:HIS_15:HD2       1:HIS_15:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:HIS_11:HD2       1:HIS_11:HBS        2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:         
1:HIS_8:HD2        1:HIS_8:HB*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_11:HD2       1:HIS_11:HBR        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:           
1:HIS_15:HD2       1:HIS_15:HBR        2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_10:HD*       1:TYR_10:HBR        1.800  4.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_10:HE*       1:TYR_10:HBR        3.500  7.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ARG_6:HH*        1:ARG_6:HD*         2.700  6.900  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_10:HD*       1:TYR_10:HBS        1.800  4.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_10:HE*       1:TYR_10:HBS        3.500  7.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ASN_1:HD21       1:ASN_1:HB*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_1:HD22       1:ASN_1:HB*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_1:HD22       1:ASN_1:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_11:HD2       1:HIS_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HD2        1:HIS_8:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_15:HD2       1:HIS_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:NH2_21:HN1       1:LYS_20:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HD*       1:TYR_10:HA         1.800  4.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_10:HE*       1:TYR_10:HA         3.500  7.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_11:HD2       1:HIS_11:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:                     
1:GLU_2:HN         1:GLU_2:HG*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_10:HN        1:VAL_9:HB          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:         
1:VAL_9:HN         1:VAL_9:HB          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:      
1:GLU_2:HN         1:GLU_2:HBR         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:      
1:LEU_13:HN        1:ILE_12:HB         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_2:HN         1:GLU_2:HBS         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_13:HN        1:LEU_13:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:LEU_13:HN        1:ILE_12:HG2*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LEU_13:HN        1:LEU_13:HD*        2.700  5.900  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_13:HN        1:ILE_12:HD1*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HN        1:VAL_9:HGR*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_9:HN         1:VAL_9:HGR*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:TYR_10:HN        1:VAL_9:HGS*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:            
1:VAL_9:HN         1:VAL_9:HGS*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HN        1:ILE_16:HG2*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:      
1:ILE_16:HN        1:ILE_16:HD1*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ILE_16:HN        1:ILE_16:HG2*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_7:HN         1:VAL_7:HGS*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_7:HN         1:VAL_7:HGR*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:          
1:ILE_16:HN        1:ILE_16:HG1S       1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:           
1:LYS_14:HN        1:LYS_14:HG*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_14:HN        1:LEU_13:HD*        3.500  7.400  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HN         1:VAL_7:HGR*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:     
1:SER_4:HN         1:VAL_3:HGR*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_3:HN         1:VAL_3:HGR*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:     
1:SER_4:HN         1:VAL_3:HGS*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_3:HN         1:VAL_3:HGS*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_12:HN        1:ILE_12:HD1*       2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_15:HN        1:LYS_14:HG*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_3:HN         1:GLU_2:HG*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ARG_6:HN         1:GLU_5:HBR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:            
1:ARG_6:HN         1:GLU_5:HBS         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:VAL_3:HN         1:VAL_3:HB          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_6:HN         1:ARG_6:HBR         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:       
1:ARG_6:HN         1:ARG_6:HBS         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HN         1:ARG_6:HGS         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LYS_20:HN        1:LYS_20:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_15:HN        1:LYS_14:HB*        2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HN         1:ARG_6:HGR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HN         1:VAL_7:HB          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:SER_4:HN         1:VAL_3:HB          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_12:HN        1:ILE_12:HB         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:                
1:ILE_12:HN        1:ILE_12:HG1R       3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:    
1:ILE_16:HN        1:ILE_16:HG1R       3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:LYS_14:HN        1:LYS_14:HB*        1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_14:HN        1:LEU_13:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_7:HN         1:VAL_7:HB          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:         
1:VAL_7:HN         1:ARG_6:HBR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:LYS_17:HN        1:ILE_16:HB         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_7:HN         1:ARG_6:HBS         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:          
1:LYS_17:HN        1:LYS_17:HB*        1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:           
1:GLU_5:HN         1:GLU_5:HGS         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:      
1:GLU_5:HN         1:GLU_5:HGR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:GLU_5:HN         1:GLU_5:HBR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:GLU_5:HN         1:GLU_5:HBS         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:     
1:ASN_1:HN         1:ACE_1B:HA*        1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_16:HN        1:ILE_16:HB         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:         
1:ARG_6:HH*        1:ARG_6:HBS         3.500  7.400  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ARG_6:HH*        1:ARG_6:HGS         3.500  7.400  5.000 30.00 30.00 1000.000  0.00 !weak:                 
1:HIS_8:HD2        1:ILE_12:HG1R       3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ARG_6:HH*        1:ARG_6:HGR         3.500  7.400  5.000 30.00 30.00 1000.000  0.00 !weak:                          
1:HIS_11:HD2       1:VAL_7:HGR*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HD2        1:ILE_12:HG2*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_11:HD2       1:VAL_7:HGS*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:HIS_15:HD2       1:ILE_16:HG2*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HD*       1:LEU_13:HD*        3.500  9.400  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HE*       1:LEU_13:HD*        3.500  9.400  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HD2        1:ILE_12:HD1*       2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_7:HN         1:ARG_6:HGS         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ASN_1:HD22       1:ASN_1:HD21        1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_10:HE*       1:TYR_10:HD*        1.800  6.700  2.700 30.00 30.00 1000.000  0.00 !strong:             
1:HIS_8:HD2        1:HIS_8:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_11:HD2       1:HIS_11:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_10:HD*       1:HIS_11:HN         3.500  7.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HE*       1:HIS_11:HN         3.500  7.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:NH2_21:HN2       1:LYS_20:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:NH2_21:HN1       1:LYS_20:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_15:HD2       1:HIS_15:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HE*       1:TYR_10:HN         3.500  7.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HD*       1:TYR_10:HN         2.700  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_1:HD21       1:GLU_2:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ASN_1:HD21       1:ASN_1:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_11:HE1       1:HIS_11:HD2        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_15:HE1       1:HIS_15:HD2        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HE1        1:HIS_8:HD2         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_3:HN         1:SER_4:HN          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_6:HN         1:VAL_7:HN          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_8:HN         1:VAL_7:HN          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:SER_4:HN         1:GLU_5:HN          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_12:HN        1:LEU_13:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_14:HN        1:LEU_13:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_11:HN        1:TYR_10:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_1:HN         1:GLU_2:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:VAL_3:HN         1:GLU_2:HN          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_8:HN         1:VAL_9:HN          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_16:HN        1:LYS_17:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_18:HN        1:LYS_17:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_7:HN         1:VAL_9:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_9:HN         1:TYR_10:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_16:HN        1:HIS_15:HN         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:           
1:LYS_14:HN        1:HIS_15:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HN        1:HIS_15:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LYS_17:HN        1:GLY_19:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:GLU_2:HN         1:SER_4:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_15:HN        1:LEU_13:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ASN_1:HB*        1:ASN_1:HA          1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_18:HB*       1:ASP_18:HA         1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:         
1:HIS_8:HB*        1:HIS_8:HA          1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_15:HBS       1:HIS_15:HA         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:          
1:HIS_15:HBR       1:HIS_15:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_18:HB*       1:HIS_15:HA         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:         
1:ASN_1:HB*        1:GLU_2:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HBR       1:TYR_10:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_10:HBS       1:TYR_10:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_11:HBS       1:HIS_11:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:HIS_8:HB*        1:GLU_5:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:         
1:HIS_11:HBR       1:HIS_11:HA         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:          
1:ARG_6:HD*        1:ARG_6:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HBR       1:VAL_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:TYR_10:HBS       1:VAL_7:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HD*        1:VAL_3:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:TYR_10:HBS       1:TYR_10:HBR        1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:          
1:GLU_2:HG*        1:GLU_2:HA          2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_5:HGS        1:GLU_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:GLU_5:HGR        1:GLU_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ARG_6:HBS        1:ARG_6:HD*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HBR        1:ARG_6:HD*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HGS        1:ARG_6:HD*         1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:       
1:ARG_6:HGR        1:ARG_6:HD*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_20:HD*       1:LYS_20:HE*        1.800  4.700  2.700 30.00 30.00 1000.000  0.00 !strong:       
1:LYS_17:HD*       1:LYS_17:HE*        1.800  4.700  2.700 30.00 30.00 1000.000  0.00 !strong:         
1:VAL_9:HB         1:VAL_9:HA          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:       
1:ILE_12:HB        1:VAL_9:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_9:HB         1:HIS_8:HB*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_7:HB         1:HIS_8:HB*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LYS_20:HBR       1:LYS_20:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_20:HBS       1:LYS_20:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_2:HBR        1:GLU_2:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_2:HBS        1:GLU_2:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_13:HBR       1:TYR_10:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_14:HB*       1:HIS_11:HA         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_5:HBS        1:GLU_5:HA          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:         
1:LYS_17:HB*       1:LYS_17:HA         1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:       
1:GLU_5:HBR        1:GLU_5:HA          1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:       
1:ILE_16:HB        1:LEU_13:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_9:HB         1:ARG_6:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:               
1:ARG_6:HBR        1:ARG_6:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HBS        1:ARG_6:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HGS        1:ARG_6:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HGR        1:ARG_6:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HB*       1:LYS_14:HA         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:LYS_14:HB*       1:LYS_14:HA         1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_14:HD*       1:LYS_14:HA         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:            
1:ILE_16:HB        1:ILE_16:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_16:HG1R      1:ILE_16:HA         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_12:HG1R      1:ILE_12:HA         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:         
1:ARG_6:HBR        1:VAL_3:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:ARG_6:HBS        1:VAL_3:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_7:HB         1:VAL_7:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:ILE_12:HB        1:ILE_12:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_13:HBS       1:TYR_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LEU_13:HBS       1:LEU_13:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_13:HD*       1:TYR_10:HA         2.700  5.900  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_7:HGR*       1:SER_4:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:    
1:VAL_7:HGS*       1:SER_4:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:VAL_9:HGR*       1:ARG_6:HA          2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:               
1:VAL_9:HGS*       1:ARG_6:HA          2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_14:HG*       1:LYS_14:HA         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_16:HG1S      1:ILE_16:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_16:HG2*      1:ILE_16:HA         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_16:HD1*      1:ILE_16:HA         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:           
1:ILE_12:HD1*      1:ILE_12:HA         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:VAL_3:HGR*       1:VAL_3:HA          1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_7:HGR*       1:VAL_7:HA          2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:          
1:VAL_9:HGR*       1:VAL_9:HA          2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:     
1:VAL_9:HGS*       1:VAL_9:HA          2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_12:HD1*      1:VAL_9:HA          2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_9:HGR*       1:HIS_8:HB*         3.500  7.000  5.000 30.00 30.00 1000.000  0.00 !weak:         
1:LEU_13:HD*       1:LEU_13:HA         1.800  5.100  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_5:HGR        1:GLU_5:HGS         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:         
1:GLU_5:HBR        1:GLU_5:HGS         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_2:HBS        1:GLU_2:HG*         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_5:HBR        1:GLU_5:HGR         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_5:HBS        1:GLU_5:HGR         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:           
1:ILE_12:HG1R      1:ILE_12:HB         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:            
1:ARG_6:HBS        1:ARG_6:HBR         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:      
1:ARG_6:HGR        1:ARG_6:HBR         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:            
1:ARG_6:HGS        1:ARG_6:HBR         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_6:HGR        1:ARG_6:HBS         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_20:HBS       1:LYS_20:HBR        1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_6:HGR        1:ARG_6:HGS         1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_12:HD1*      1:ILE_12:HG2*       1.800  4.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_12:HD1*      1:ILE_12:HG1S       1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_16:HD1*      1:ILE_16:HG1S       1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:         
1:ILE_16:HG2*      1:ILE_16:HG1S       2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_9:HGS*       1:VAL_9:HGR*        1.800  4.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_7:HGR*       1:VAL_7:HGS*        1.800  4.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_3:HGR*       1:VAL_3:HGS*        2.700  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:          
1:VAL_9:HGR*       1:VAL_9:HB          1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_9:HGS*       1:VAL_9:HB          1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_7:HGR*       1:VAL_7:HB          1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_3:HGR*       1:VAL_3:HB          1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_12:HD1*      1:ILE_12:HB         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_16:HG1S      1:ILE_16:HB         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:           
1:ILE_16:HG2*      1:ILE_16:HB         1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_16:HG1S      1:ILE_16:HG1R       1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_16:HG2*      1:ILE_16:HG1R       2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_16:HD1*      1:ILE_16:HG1R       1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_12:HG2*      1:ILE_12:HG1R       2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_12:HG1S      1:ILE_12:HG1R       1.800  2.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_12:HD1*      1:ILE_12:HG1R       1.800  3.700  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:LEU_13:HD*       1:LEU_13:HBS        1.800  5.100  2.700 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_16:HD1*      1:ILE_16:HB         2.700  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HGS       1:LYS_17:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LYS_17:HGR       1:LYS_17:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:HIS_8:HN         1:GLU_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:  
1:LYS_14:HN        1:HIS_11:HA         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:HIS_11:HN        1:VAL_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_14:HN        1:TYR_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:VAL_7:HB         1:SER_4:HA          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:VAL_3:HN         1:GLU_5:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_14:HN        1:LEU_13:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_5:HN         1:ARG_6:HN          2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:GLY_19:HN        1:ASP_18:HN         2.700  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:VAL_7:HN         1:TYR_10:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:HIS_8:HN         1:TYR_10:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:HIS_8:HN         1:ARG_6:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_5:HN         1:GLU_2:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:HIS_11:HN        1:HIS_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_5:HBR        1:GLU_2:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:  
1:HIS_11:HBS       1:HIS_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:HIS_11:HBR       1:HIS_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
!
#mixing_times
3.000000E+02 
!
#NMR_dihedral
1:ASN_1:CA         1:ASN_1:C          1:GLU_2:N          1:GLU_2:CA         178.000 180.000 500.00 500.00 1000.000
1:GLU_2:CA         1:GLU_2:C          1:VAL_3:N          1:VAL_3:CA         178.000 180.000 500.00 500.00 1000.000
1:VAL_3:CA         1:VAL_3:C          1:SER_4:N          1:SER_4:CA         178.000 180.000 500.00 500.00 1000.000
1:SER_4:CA         1:SER_4:C          1:GLU_5:N          1:GLU_5:CA         178.000 180.000 500.00 500.00 1000.000
1:GLU_5:CA         1:GLU_5:C          1:ARG_6:N          1:ARG_6:CA         178.000 180.000 500.00 500.00 1000.000
1:ARG_6:CA         1:ARG_6:C          1:VAL_7:N          1:VAL_7:CA         178.000 180.000 500.00 500.00 1000.000
1:VAL_7:CA         1:VAL_7:C          1:HIS_8:N          1:HIS_8:CA         178.000 180.000 500.00 500.00 1000.000
1:HIS_8:CA         1:HIS_8:C          1:VAL_9:N          1:VAL_9:CA         178.000 180.000 500.00 500.00 1000.000
1:VAL_9:CA         1:VAL_9:C          1:TYR_10:N         1:TYR_10:CA        178.000 180.000 500.00 500.00 1000.000
1:TYR_10:CA        1:TYR_10:C         1:HIS_11:N         1:HIS_11:CA        178.000 180.000 500.00 500.00 1000.000
1:HIS_11:CA        1:HIS_11:C         1:ILE_12:N         1:ILE_12:CA        178.000 180.000 500.00 500.00 1000.000
1:ILE_12:CA        1:ILE_12:C         1:LEU_13:N         1:LEU_13:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_13:CA        1:LEU_13:C         1:LYS_14:N         1:LYS_14:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_14:CA        1:LYS_14:C         1:HIS_15:N         1:HIS_15:CA        178.000 180.000 500.00 500.00 1000.000
1:HIS_15:CA        1:HIS_15:C         1:ILE_16:N         1:ILE_16:CA        178.000 180.000 500.00 500.00 1000.000
1:ILE_16:CA        1:ILE_16:C         1:LYS_17:N         1:LYS_17:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_17:CA        1:LYS_17:C         1:ASP_18:N         1:ASP_18:CA        178.000 180.000 500.00 500.00 1000.000
1:ASP_18:CA        1:ASP_18:C         1:GLY_19:N         1:GLY_19:CA        178.000 180.000 500.00 500.00 1000.000
1:GLY_19:CA        1:GLY_19:C         1:LYS_20:N         1:LYS_20:CA        178.000 180.000 500.00 500.00 1000.000
!
#3J_dihedral
1:GLU_2:HN         1:GLU_2:N          1:GLU_2:CA         1:GLU_2:HA          5.86  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500
1:SER_4:HN         1:SER_4:N          1:SER_4:CA         1:SER_4:HA          5.14  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500
1:GLU_5:HN         1:GLU_5:N          1:GLU_5:CA         1:GLU_5:HA          5.32  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500
1:VAL_7:HN         1:VAL_7:N          1:VAL_7:CA         1:VAL_7:HA          6.24  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500
1:HIS_8:HN         1:HIS_8:N          1:HIS_8:CA         1:HIS_8:HA          4.95  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500            
1:LYS_14:HN        1:LYS_14:N         1:LYS_14:CA        1:LYS_14:HA         5.68  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           3HA      ACE   1 -16.105  -1.308  -2.159
    2    H2   ACE   1           1HA      ACE   1 -17.652  -1.318  -1.253
    3    H3   ACE   1           2HA      ACE   1 -17.270  -2.638  -2.391
    4    H    ASN   1           H        ASN   1 -15.153  -2.801   1.193
    5    HA   ASN   1           HA       ASN   1 -16.378  -0.182   0.369
    6    HB2  ASN   1           1HB      ASN   1 -16.221  -0.877   2.771
    7    HB3  ASN   1           2HB      ASN   1 -14.475  -0.873   2.687
    8   HD21  ASN   1          1HD2      ASN   1 -17.345   1.208   2.535
    9   HD22  ASN   1          2HD2      ASN   1 -16.454   2.738   3.019
   10    H    GLU   2           H        GLU   2 -15.447   0.947  -1.188
   11    HA   GLU   2           HA       GLU   2 -13.006   0.678  -2.426
   12    HB2  GLU   2           1HB      GLU   2 -15.122   2.140  -3.043
   13    HB3  GLU   2           2HB      GLU   2 -14.341   3.451  -2.197
   14    HG2  GLU   2           1HG      GLU   2 -13.117   1.917  -4.596
   15    HG3  GLU   2           2HG      GLU   2 -14.109   3.351  -4.754
   16    HE2  GLU   2           HE2      GLU   2 -11.705   5.599  -3.524
   17    H    VAL   3           H        VAL   3 -13.397   2.787   0.410
   18    HA   VAL   3           HA       VAL   3 -10.709   4.004   0.241
   19    HB   VAL   3           HB       VAL   3 -12.620   3.857   2.655
   20   HG11  VAL   3          1HG1      VAL   3 -11.359   5.828   3.543
   21   HG12  VAL   3          2HG1      VAL   3 -10.302   4.417   3.373
   22   HG13  VAL   3          3HG1      VAL   3 -10.217   5.729   2.170
   23   HG21  VAL   3          3HG2      VAL   3 -13.292   6.210   2.091
   24   HG22  VAL   3          1HG2      VAL   3 -12.330   6.134   0.587
   25   HG23  VAL   3          2HG2      VAL   3 -13.753   5.086   0.807
   26    H    SER   4           H        SER   4 -12.055   1.593   2.463
   27    HA   SER   4           HA       SER   4  -9.699   0.645   3.712
   28    HB2  SER   4           2HB      SER   4 -12.077  -1.141   2.935
   29    HB3  SER   4           1HB      SER   4 -10.834  -1.544   4.122
   30    HG   SER   4           HG       SER   4 -12.544   0.717   4.205
   31    H    GLU   5           H        GLU   5 -11.025  -0.997   0.815
   32    HA   GLU   5           HA       GLU   5  -8.865  -2.718   0.273
   33    HB2  GLU   5           1HB      GLU   5  -9.654  -3.098  -1.972
   34    HB3  GLU   5           2HB      GLU   5 -10.936  -3.105  -0.793
   35    HG2  GLU   5           2HG      GLU   5 -11.415  -0.637  -1.602
   36    HG3  GLU   5           1HG      GLU   5 -10.312  -0.970  -2.936
   37    HE2  GLU   5           HE2      GLU   5 -12.477  -3.029  -4.666
   38    H    ARG   6           H        ARG   6  -9.159   0.514  -1.183
   39    HA   ARG   6           HA       ARG   6  -6.633   0.305  -2.687
   40    HB2  ARG   6           2HB      ARG   6  -8.693   1.839  -3.241
   41    HB3  ARG   6           1HB      ARG   6  -8.185   2.902  -1.931
   42    HG2  ARG   6           1HG      ARG   6  -5.992   3.321  -3.131
   43    HG3  ARG   6           2HG      ARG   6  -6.516   2.268  -4.461
   44    HD2  ARG   6           2HD      ARG   6  -8.493   3.783  -4.897
   45    HD3  ARG   6           1HD      ARG   6  -7.999   4.836  -3.560
   46   HH11  ARG   6          2HH1      ARG   6  -8.988   6.018  -5.379
   47   HH12  ARG   6          1HH1      ARG   6  -8.449   7.282  -6.595
   48   HH21  ARG   6          2HH2      ARG   6  -5.223   6.085  -6.747
   49   HH22  ARG   6          1HH2      ARG   6  -6.460   7.316  -7.316
   50    H    VAL   7           H        VAL   7  -7.243   2.115   0.431
   51    HA   VAL   7           HA       VAL   7  -4.630   3.008   0.861
   52    HB   VAL   7           HB       VAL   7  -6.670   2.080   2.945
   53   HG11  VAL   7          3HG2      VAL   7  -4.132   3.763   3.454
   54   HG12  VAL   7          1HG2      VAL   7  -4.447   2.129   4.083
   55   HG13  VAL   7          2HG2      VAL   7  -5.451   3.483   4.625
   56   HG21  VAL   7          1HG1      VAL   7  -7.381   4.056   1.481
   57   HG22  VAL   7          2HG1      VAL   7  -5.932   4.938   1.991
   58   HG23  VAL   7          3HG1      VAL   7  -7.187   4.508   3.181
   59    H    HIS   8           H        HIS   8  -5.840  -0.271   1.906
   60    HA   HIS   8           HA       HIS   8  -3.572  -1.426   2.953
   61    HB2  HIS   8           1HB      HIS   8  -6.062  -2.337   2.475
   62    HB3  HIS   8           2HB      HIS   8  -5.352  -3.055   1.053
   63    HD2  HIS   8           HD2      HIS   8  -2.743  -4.294   1.808
   64    HE1  HIS   8           HE1      HIS   8  -4.500  -5.999   5.184
   65    HE2  HIS   8           HE2      HIS   8  -2.450  -6.223   3.641
   66    H    VAL   9           H        VAL   9  -4.449  -1.503  -0.550
   67    HA   VAL   9           HA       VAL   9  -2.015  -2.938  -1.366
   68    HB   VAL   9           HB       VAL   9  -2.691  -2.755  -3.599
   69   HG11  VAL   9          3HG2      VAL   9  -4.891  -3.834  -3.652
   70   HG12  VAL   9          1HG2      VAL   9  -5.264  -3.238  -2.022
   71   HG13  VAL   9          2HG2      VAL   9  -3.955  -4.419  -2.257
   72   HG21  VAL   9          1HG1      VAL   9  -4.870  -0.740  -2.934
   73   HG22  VAL   9          2HG1      VAL   9  -4.663  -1.531  -4.512
   74   HG23  VAL   9          3HG1      VAL   9  -3.424  -0.415  -3.914
   75    H    TYR  10           H        TYR  10  -2.720   0.510  -1.076
   76    HA   TYR  10           HA       TYR  10  -0.361   1.448  -2.623
   77    HB2  TYR  10           2HB      TYR  10  -2.531   2.844  -2.112
   78    HB3  TYR  10           1HB      TYR  10  -1.967   2.989  -0.456
   79    HD1  TYR  10           HD1      TYR  10  -1.046   3.812  -4.028
   80    HD2  TYR  10           HD2      TYR  10  -0.338   4.699   0.124
   81    HE1  TYR  10           HE1      TYR  10   0.255   5.798  -4.664
   82    HE2  TYR  10           HE2      TYR  10   0.945   6.687  -0.526
   83    HH   TYR  10           HH       TYR  10   1.730   7.913  -2.198
   84    H    HIS  11           H        HIS  11  -0.903   0.802   0.871
   85    HA   HIS  11           HA       HIS  11   1.751   1.792   1.739
   86    HB2  HIS  11           2HB      HIS  11  -0.477   0.165   3.101
   87    HB3  HIS  11           1HB      HIS  11   1.080   0.259   3.861
   88    HD2  HIS  11           HD2      HIS  11  -1.504   2.911   2.397
   89    HE1  HIS  11           HE1      HIS  11   0.108   4.470   5.896
   90    HE2  HIS  11           HE2      HIS  11  -1.624   4.965   4.060
   91    H    ILE  12           H        ILE  12   0.644  -1.435   0.690
   92    HA   ILE  12           HA       ILE  12   3.060  -2.889   1.556
   93    HB   ILE  12           HB       ILE  12   0.994  -3.598  -0.604
   94   HG12  ILE  12          2HG1      ILE  12   1.390  -4.816   2.210
   95   HG13  ILE  12          1HG1      ILE  12   0.231  -3.531   1.867
   96   HG21  ILE  12          1HG2      ILE  12   3.225  -5.433   0.501
   97   HG22  ILE  12          2HG2      ILE  12   1.917  -5.933  -0.600
   98   HG23  ILE  12          3HG2      ILE  12   3.132  -4.790  -1.157
   99   HD11  ILE  12          3HD1      ILE  12  -1.011  -5.017   0.253
  100   HD12  ILE  12          1HD1      ILE  12   0.104  -6.357   0.637
  101   HD13  ILE  12          2HD1      ILE  12  -0.934  -5.688   1.902
  102    H    LEU  13           H        LEU  13   2.193  -1.426  -1.639
  103    HA   LEU  13           HA       LEU  13   4.843  -1.937  -2.837
  104    HB2  LEU  13           2HB      LEU  13   2.484  -0.149  -3.696
  105    HB3  LEU  13           1HB      LEU  13   4.018  -0.057  -4.528
  106    HG   LEU  13           HG       LEU  13   3.929  -2.529  -5.044
  107   HD11  LEU  13          3HD2      LEU  13   1.000  -2.360  -4.059
  108   HD12  LEU  13          1HD2      LEU  13   1.687  -3.692  -5.020
  109   HD13  LEU  13          2HD2      LEU  13   2.282  -3.398  -3.385
  110   HD21  LEU  13          1HD1      LEU  13   2.338  -2.235  -6.948
  111   HD22  LEU  13          2HD1      LEU  13   1.632  -0.797  -6.169
  112   HD23  LEU  13          3HD1      LEU  13   3.325  -0.780  -6.722
  113    H    LYS  14           H        LYS  14   3.492   1.108  -1.303
  114    HA   LYS  14           HA       LYS  14   5.744   2.735  -1.667
  115    HB2  LYS  14           2HB      LYS  14   3.494   3.397  -0.819
  116    HB3  LYS  14           1HB      LYS  14   3.899   2.774   0.776
  117    HG2  LYS  14           2HG      LYS  14   5.774   4.473   0.944
  118    HG3  LYS  14           1HG      LYS  14   5.432   5.021  -0.700
  119    HD2  LYS  14           2HD      LYS  14   3.097   5.691   0.015
  120    HD3  LYS  14           1HD      LYS  14   3.451   5.169   1.665
  121    HE2  LYS  14           1HE      LYS  14   5.311   6.895   1.812
  122    HE3  LYS  14           2HE      LYS  14   4.976   7.404   0.150
  123    HZ1  LYS  14           2HZ      LYS  14   3.897   8.812   1.774
  124    HZ3  LYS  14           1HZ      LYS  14   3.078   7.556   2.426
  125    H    HIS  15           H        HIS  15   5.296   0.484   1.040
  126    HA   HIS  15           HA       HIS  15   7.763   1.233   2.522
  127    HB2  HIS  15           1HB      HIS  15   5.738   0.311   3.661
  128    HB3  HIS  15           2HB      HIS  15   5.947  -1.225   2.834
  129    HD2  HIS  15           HD2      HIS  15   7.911  -2.863   3.716
  130    HE1  HIS  15           HE1      HIS  15   9.006  -0.659   7.076
  131    HE2  HIS  15           HE2      HIS  15   9.325  -2.961   5.971
  132    H    ILE  16           H        ILE  16   7.022  -1.388   0.248
  133    HA   ILE  16           HA       ILE  16   9.694  -2.684   0.544
  134    HB   ILE  16           HB       ILE  16   7.579  -3.244  -1.607
  135   HG12  ILE  16          2HG1      ILE  16   8.243  -4.944   0.898
  136   HG13  ILE  16          1HG1      ILE  16   6.947  -3.753   0.923
  137   HG21  ILE  16          1HG2      ILE  16  10.091  -4.882  -0.852
  138   HG22  ILE  16          2HG2      ILE  16   9.834  -3.998  -2.374
  139   HG23  ILE  16          3HG2      ILE  16   8.827  -5.394  -1.998
  140   HD11  ILE  16          3HD1      ILE  16   7.002  -6.233  -0.902
  141   HD12  ILE  16          1HD1      ILE  16   5.950  -5.926   0.495
  142   HD13  ILE  16          2HD1      ILE  16   5.768  -4.948  -0.980
  143    H    LYS  17           H        LYS  17   8.258  -0.708  -2.154
  144    HA   LYS  17           HA       LYS  17  10.732  -0.652  -3.700
  145    HB2  LYS  17           1HB      LYS  17   8.473  -0.330  -4.695
  146    HB3  LYS  17           2HB      LYS  17   8.253   1.176  -3.832
  147    HG2  LYS  17           1HG      LYS  17   8.731   1.551  -6.204
  148    HG3  LYS  17           2HG      LYS  17   9.923   2.334  -5.201
  149    HD2  LYS  17           1HD      LYS  17  11.069   1.370  -7.106
  150    HD3  LYS  17           2HD      LYS  17  11.577   0.499  -5.680
  151    HE2  LYS  17           1HE      LYS  17  11.289  -1.126  -7.442
  152    HE3  LYS  17           2HE      LYS  17   9.994  -1.418  -6.287
  153    HZ1  LYS  17           2HZ      LYS  17   9.753   0.062  -8.854
  154    HZ3  LYS  17           1HZ      LYS  17   9.228  -1.460  -8.569
  155    H    ASP  18           H        ASP  18   9.304   2.004  -1.679
  156    HA   ASP  18           HA       ASP  18  11.689   3.730  -1.960
  157    HB2  ASP  18           2HB      ASP  18   9.474   3.987   0.159
  158    HB3  ASP  18           1HB      ASP  18  10.716   5.169  -0.169
  159    HD2  ASP  18           HD2      ASP  18   9.343   6.409  -3.098
  160    H    GLY  19           H        GLY  19  10.600   1.640   0.771
  161    HA2  GLY  19           2HA      GLY  19  12.913   2.234   2.512
  162    HA3  GLY  19           1HA      GLY  19  11.767   0.936   2.739
  163    H    LYS  20           H        LYS  20  12.024  -0.877   1.131
  164    HA   LYS  20           HA       LYS  20  13.340  -2.642  -0.020
  165    HB2  LYS  20           2HB      LYS  20  14.793  -0.682  -1.005
  166    HB3  LYS  20           1HB      LYS  20  15.942  -1.064   0.278
  167    HG2  LYS  20           1HG      LYS  20  16.078  -3.453  -0.558
  168    HG3  LYS  20           2HG      LYS  20  14.918  -3.069  -1.833
  169    HD2  LYS  20           1HD      LYS  20  16.513  -1.328  -2.757
  170    HD3  LYS  20           2HD      LYS  20  17.672  -1.713  -1.479
  171    HE2  LYS  20           1HE      LYS  20  17.831  -4.103  -2.340
  172    HE3  LYS  20           2HE      LYS  20  16.671  -3.718  -3.620
  173    HZ1  LYS  20           2HZ      LYS  20  18.225  -2.030  -4.428
  174    HZ3  LYS  20           1HZ      LYS  20  19.297  -2.385  -3.246
  175    HN1  NH2  21           2HN      NH2  21  15.345  -2.961   3.580
  176    HN2  NH2  21           1HN      NH2  21  15.106  -1.297   2.836
  Start of MODEL    2
    1    H1   ACE   1           3HA      ACE   1 -18.683  -2.766  -2.035
    2    H2   ACE   1           1HA      ACE   1 -19.182  -2.512  -0.346
    3    H3   ACE   1           2HA      ACE   1 -19.145  -1.136  -1.489
    4    H    ASN   1           H        ASN   1 -17.898  -0.802   0.721
    5    HA   ASN   1           HA       ASN   1 -15.755   0.448   1.253
    6    HB2  ASN   1           2HB      ASN   1 -14.497  -1.191   2.597
    7    HB3  ASN   1           1HB      ASN   1 -16.211  -1.409   2.774
    8   HD21  ASN   1          2HD2      ASN   1 -13.411  -2.728   1.059
    9   HD22  ASN   1          1HD2      ASN   1 -14.262  -4.229   0.506
   10    H    GLU   2           H        GLU   2 -15.548   0.287  -1.518
   11    HA   GLU   2           HA       GLU   2 -13.087  -0.419  -2.510
   12    HB2  GLU   2           2HB      GLU   2 -15.162   0.858  -3.641
   13    HB3  GLU   2           1HB      GLU   2 -14.182   2.286  -3.440
   14    HG2  GLU   2           2HG      GLU   2 -13.430  -0.295  -4.984
   15    HG3  GLU   2           1HG      GLU   2 -14.047   1.174  -5.706
   16    HE2  GLU   2           HE2      GLU   2 -12.830   3.062  -5.310
   17    H    VAL   3           H        VAL   3 -13.490   2.530  -0.576
   18    HA   VAL   3           HA       VAL   3 -10.799   3.628  -1.091
   19    HB   VAL   3           HB       VAL   3 -12.731   4.244   1.230
   20   HG11  VAL   3          3HG2      VAL   3 -10.326   5.879   0.201
   21   HG12  VAL   3          1HG2      VAL   3 -11.483   6.401   1.462
   22   HG13  VAL   3          2HG2      VAL   3 -10.421   5.014   1.756
   23   HG21  VAL   3          1HG1      VAL   3 -13.842   4.818  -0.928
   24   HG22  VAL   3          2HG1      VAL   3 -13.409   6.290  -0.048
   25   HG23  VAL   3          3HG1      VAL   3 -12.423   5.764  -1.443
   26    H    SER   4           H        SER   4 -12.169   2.024   1.757
   27    HA   SER   4           HA       SER   4  -9.838   1.533   3.279
   28    HB2  SER   4           2HB      SER   4 -12.197  -0.425   3.046
   29    HB3  SER   4           1HB      SER   4 -10.971  -0.448   4.316
   30    HG   SER   4           HG       SER   4 -12.815   0.698   4.909
   31    H    GLU   5           H        GLU   5 -11.078  -0.953   0.993
   32    HA   GLU   5           HA       GLU   5  -8.882  -2.709   1.052
   33    HB2  GLU   5           2HB      GLU   5  -9.578  -3.734  -1.025
   34    HB3  GLU   5           1HB      GLU   5 -10.905  -3.442   0.065
   35    HG2  GLU   5           2HG      GLU   5 -11.491  -1.373  -1.366
   36    HG3  GLU   5           1HG      GLU   5 -10.236  -1.861  -2.509
   37    HE2  GLU   5           HE2      GLU   5 -13.812  -3.684  -2.393
   38    H    ARG   6           H        ARG   6  -9.134  -0.039  -1.281
   39    HA   ARG   6           HA       ARG   6  -6.548  -0.665  -2.578
   40    HB2  ARG   6           2HB      ARG   6  -8.584   0.568  -3.672
   41    HB3  ARG   6           1HB      ARG   6  -8.168   1.996  -2.730
   42    HG2  ARG   6           1HG      ARG   6  -5.939   2.128  -3.867
   43    HG3  ARG   6           2HG      ARG   6  -6.300   0.696  -4.837
   44    HD2  ARG   6           2HD      ARG   6  -8.011   3.277  -4.891
   45    HD3  ARG   6           1HD      ARG   6  -6.636   2.990  -5.958
   46   HH11  ARG   6          2HH2      ARG   6  -8.556   4.201  -6.893
   47   HH12  ARG   6          1HH2      ARG   6  -9.717   3.913  -8.284
   48   HH21  ARG   6          2HH1      ARG   6  -9.669   0.490  -7.912
   49   HH22  ARG   6          1HH1      ARG   6 -10.304   1.953  -8.820
   50    H    VAL   7           H        VAL   7  -7.307   2.018  -0.211
   51    HA   VAL   7           HA       VAL   7  -4.720   3.047   0.026
   52    HB   VAL   7           HB       VAL   7  -6.843   2.776   2.217
   53   HG11  VAL   7          1HG1      VAL   7  -4.668   3.229   3.361
   54   HG12  VAL   7          2HG1      VAL   7  -5.708   4.662   3.412
   55   HG13  VAL   7          3HG1      VAL   7  -4.344   4.590   2.261
   56   HG21  VAL   7          3HG2      VAL   7  -6.096   5.209   0.442
   57   HG22  VAL   7          1HG2      VAL   7  -7.398   5.138   1.658
   58   HG23  VAL   7          2HG2      VAL   7  -7.512   4.176   0.179
   59    H    HIS   8           H        HIS   8  -5.956   0.239   2.001
   60    HA   HIS   8           HA       HIS   8  -3.730  -0.490   3.445
   61    HB2  HIS   8           2HB      HIS   8  -6.201  -1.527   3.187
   62    HB3  HIS   8           1HB      HIS   8  -5.448  -2.643   2.080
   63    HD2  HIS   8           HD2      HIS   8  -2.908  -3.630   3.259
   64    HE1  HIS   8           HE1      HIS   8  -4.777  -4.163   6.949
   65    HE2  HIS   8           HE2      HIS   8  -2.706  -4.900   5.607
   66    H    VAL   9           H        VAL   9  -4.467  -1.658   0.113
   67    HA   VAL   9           HA       VAL   9  -2.008  -3.257  -0.124
   68    HB   VAL   9           HB       VAL   9  -2.604  -3.810  -2.311
   69   HG11  VAL   9          3HG2      VAL   9  -4.793  -4.883  -2.085
   70   HG12  VAL   9          1HG2      VAL   9  -3.918  -4.957  -0.538
   71   HG13  VAL   9          2HG2      VAL   9  -5.241  -3.787  -0.761
   72   HG21  VAL   9          1HG1      VAL   9  -4.487  -2.983  -3.670
   73   HG22  VAL   9          2HG1      VAL   9  -4.865  -1.758  -2.436
   74   HG23  VAL   9          3HG1      VAL   9  -3.345  -1.669  -3.359
   75    H    TYR  10           H        TYR  10  -2.730   0.099  -1.001
   76    HA   TYR  10           HA       TYR  10  -0.303   0.491  -2.666
   77    HB2  TYR  10           2HB      TYR  10  -2.507   1.934  -2.746
   78    HB3  TYR  10           1HB      TYR  10  -1.988   2.670  -1.241
   79    HD1  TYR  10           HD1      TYR  10  -1.181   2.290  -4.880
   80    HD2  TYR  10           HD2      TYR  10  -0.130   4.331  -1.239
   81    HE1  TYR  10           HE1      TYR  10   0.178   3.888  -6.158
   82    HE2  TYR  10           HE2      TYR  10   1.231   5.917  -2.529
   83    HH   TYR  10           HH       TYR  10   1.951   6.525  -4.539
   84    H    HIS  11           H        HIS  11  -1.018   1.057   0.818
   85    HA   HIS  11           HA       HIS  11   1.568   2.362   1.424
   86    HB2  HIS  11           1HB      HIS  11  -0.679   1.169   3.157
   87    HB3  HIS  11           2HB      HIS  11   0.841   1.556   3.899
   88    HD2  HIS  11           HD2      HIS  11  -1.595   3.581   1.469
   89    HE1  HIS  11           HE1      HIS  11  -0.415   6.115   4.544
   90    HE2  HIS  11           HE2      HIS  11  -1.896   6.020   2.444
   91    H    ILE  12           H        ILE  12   0.543  -1.063   1.542
   92    HA   ILE  12           HA       ILE  12   3.011  -2.069   2.810
   93    HB   ILE  12           HB       ILE  12   0.964  -3.540   1.052
   94   HG12  ILE  12          1HG1      ILE  12   1.355  -3.639   4.119
   95   HG13  ILE  12          2HG1      ILE  12   0.149  -2.630   3.318
   96   HG21  ILE  12          1HG2      ILE  12   3.141  -4.788   0.961
   97   HG22  ILE  12          2HG2      ILE  12   1.946  -5.697   1.878
   98   HG23  ILE  12          3HG2      ILE  12   3.227  -4.806   2.740
   99   HD11  ILE  12          3HD1      ILE  12  -0.936  -4.652   4.144
  100   HD12  ILE  12          1HD1      ILE  12   0.161  -5.709   3.244
  101   HD13  ILE  12          2HD1      ILE  12  -0.990  -4.666   2.363
  102    H    LEU  13           H        LEU  13   2.049  -1.760  -0.654
  103    HA   LEU  13           HA       LEU  13   4.601  -2.647  -1.776
  104    HB2  LEU  13           2HB      LEU  13   2.397  -0.829  -2.952
  105    HB3  LEU  13           1HB      LEU  13   3.744  -1.369  -3.921
  106    HG   LEU  13           HG       LEU  13   1.762  -3.310  -2.573
  107   HD11  LEU  13          1HD1      LEU  13   0.575  -1.867  -4.225
  108   HD12  LEU  13          2HD1      LEU  13   0.691  -3.537  -4.811
  109   HD13  LEU  13          3HD1      LEU  13   1.765  -2.283  -5.484
  110   HD21  LEU  13          3HD2      LEU  13   3.956  -4.403  -3.109
  111   HD22  LEU  13          1HD2      LEU  13   3.863  -3.820  -4.789
  112   HD23  LEU  13          2HD2      LEU  13   2.681  -5.007  -4.181
  113    H    LYS  14           H        LYS  14   3.429   0.768  -1.183
  114    HA   LYS  14           HA       LYS  14   5.702   2.152  -2.034
  115    HB2  LYS  14           1HB      LYS  14   3.409   3.004  -1.181
  116    HB3  LYS  14           2HB      LYS  14   4.097   3.051   0.419
  117    HG2  LYS  14           1HG      LYS  14   5.027   4.589  -2.095
  118    HG3  LYS  14           2HG      LYS  14   4.027   5.235  -0.817
  119    HD2  LYS  14           2HD      LYS  14   7.002   4.500  -0.592
  120    HD3  LYS  14           1HD      LYS  14   6.315   6.103  -0.709
  121    HE2  LYS  14           2HE      LYS  14   5.174   5.835   1.530
  122    HE3  LYS  14           1HE      LYS  14   5.823   4.195   1.679
  123    HZ1  LYS  14           2HZ      LYS  14   7.432   6.677   1.478
  124    HZ3  LYS  14           1HZ      LYS  14   7.166   5.811   2.839
  125    H    HIS  15           H        HIS  15   5.275   0.779   1.206
  126    HA   HIS  15           HA       HIS  15   7.766   1.821   2.422
  127    HB2  HIS  15           2HB      HIS  15   5.774   1.184   3.782
  128    HB3  HIS  15           1HB      HIS  15   5.952  -0.497   3.310
  129    HD2  HIS  15           HD2      HIS  15   8.018  -1.903   4.433
  130    HE1  HIS  15           HE1      HIS  15   9.005   0.912   7.339
  131    HE2  HIS  15           HE2      HIS  15   9.408  -1.541   6.673
  132    H    ILE  16           H        ILE  16   7.017  -1.259   0.835
  133    HA   ILE  16           HA       ILE  16   9.643  -2.513   1.386
  134    HB   ILE  16           HB       ILE  16   7.598  -3.353  -0.739
  135   HG12  ILE  16          2HG1      ILE  16   8.119  -4.673   2.014
  136   HG13  ILE  16          1HG1      ILE  16   6.881  -3.438   1.827
  137   HG21  ILE  16          1HG2      ILE  16   9.861  -4.282  -1.275
  138   HG22  ILE  16          2HG2      ILE  16   8.789  -5.573  -0.732
  139   HG23  ILE  16          3HG2      ILE  16  10.021  -4.921   0.376
  140   HD11  ILE  16          3HD1      ILE  16   5.799  -5.614   1.688
  141   HD12  ILE  16          1HD1      ILE  16   6.855  -6.148   0.364
  142   HD13  ILE  16          2HD1      ILE  16   5.679  -4.833   0.094
  143    H    LYS  17           H        LYS  17   8.380  -0.947  -1.647
  144    HA   LYS  17           HA       LYS  17  10.948  -1.128  -3.050
  145    HB2  LYS  17           1HB      LYS  17  10.004   0.189  -4.817
  146    HB3  LYS  17           2HB      LYS  17   8.854  -0.987  -4.264
  147    HG2  LYS  17           2HG      LYS  17   7.385   0.744  -4.465
  148    HG3  LYS  17           1HG      LYS  17   7.853   1.059  -2.807
  149    HD2  LYS  17           2HD      LYS  17   9.625   2.740  -3.764
  150    HD3  LYS  17           1HD      LYS  17   8.902   2.467  -5.346
  151    HE2  LYS  17           1HE      LYS  17   6.656   3.283  -4.446
  152    HE3  LYS  17           2HE      LYS  17   7.393   3.532  -2.856
  153    HZ1  LYS  17           2HZ      LYS  17   8.889   5.139  -3.828
  154    HZ3  LYS  17           1HZ      LYS  17   7.331   5.564  -4.085
  155    H    ASP  18           H        ASP  18   9.656   1.503  -1.026
  156    HA   ASP  18           HA       ASP  18  11.811   3.416  -1.688
  157    HB2  ASP  18           1HB      ASP  18   9.492   4.057  -0.916
  158    HB3  ASP  18           2HB      ASP  18   9.848   3.448   0.690
  159    HD2  ASP  18           HD2      ASP  18  11.125   4.541   1.932
  160    H    GLY  19           H        GLY  19  11.275   1.348   1.235
  161    HA2  GLY  19           1HA      GLY  19  13.820   2.062   2.555
  162    HA3  GLY  19           2HA      GLY  19  12.779   0.722   2.989
  163    H    LYS  20           H        LYS  20  12.842  -1.168   1.341
  164    HA   LYS  20           HA       LYS  20  15.693  -2.030   1.045
  165    HB2  LYS  20           2HB      LYS  20  13.031  -3.491   0.477
  166    HB3  LYS  20           1HB      LYS  20  14.591  -4.230   0.116
  167    HG2  LYS  20           1HG      LYS  20  15.280  -4.011   2.533
  168    HG3  LYS  20           2HG      LYS  20  13.719  -3.287   2.922
  169    HD2  LYS  20           1HD      LYS  20  12.542  -5.372   2.119
  170    HD3  LYS  20           2HD      LYS  20  14.082  -6.125   1.738
  171    HE2  LYS  20           2HE      LYS  20  13.226  -5.213   4.576
  172    HE3  LYS  20           1HE      LYS  20  13.026  -6.846   3.946
  173    HZ1  LYS  20           2HZ      LYS  20  15.407  -7.039   3.708
  174    HZ3  LYS  20           1HZ      LYS  20  15.000  -6.696   5.254
  175    HN1  NH2  21           2HN      NH2  21  14.219  -1.616  -2.829
  176    HN2  NH2  21           1HN      NH2  21  13.047  -2.078  -1.495
  Start of MODEL    3
    1    H1   ACE   1           3HA      ACE   1 -19.284  -2.447   0.470
    2    H2   ACE   1           1HA      ACE   1 -18.497  -1.234  -0.578
    3    H3   ACE   1           2HA      ACE   1 -18.544  -0.996   1.198
    4    H    ASN   1           H        ASN   1 -15.124  -2.506   0.670
    5    HA   ASN   1           HA       ASN   1 -16.580   0.070  -0.020
    6    HB2  ASN   1           2HB      ASN   1 -16.596  -0.097   2.491
    7    HB3  ASN   1           1HB      ASN   1 -14.855  -0.222   2.525
    8   HD21  ASN   1          1HD2      ASN   1 -13.830   1.728   2.831
    9   HD22  ASN   1          2HD2      ASN   1 -14.588   3.370   2.526
   10    H    GLU   2           H        GLU   2 -15.540   0.714  -1.714
   11    HA   GLU   2           HA       GLU   2 -13.075   0.015  -2.728
   12    HB2  GLU   2           2HB      GLU   2 -15.094   1.371  -3.782
   13    HB3  GLU   2           1HB      GLU   2 -14.246   2.809  -3.290
   14    HG2  GLU   2           1HG      GLU   2 -13.111   0.604  -5.150
   15    HG3  GLU   2           2HG      GLU   2 -13.972   2.021  -5.712
   16    HE2  GLU   2           HE2      GLU   2 -11.387   4.307  -5.016
   17    H    VAL   3           H        VAL   3 -13.454   2.745  -0.486
   18    HA   VAL   3           HA       VAL   3 -10.751   3.857  -0.879
   19    HB   VAL   3           HB       VAL   3 -12.670   4.290   1.488
   20   HG11  VAL   3          1HG1      VAL   3 -11.405   6.410   1.881
   21   HG12  VAL   3          2HG1      VAL   3 -10.269   5.989   0.565
   22   HG13  VAL   3          3HG1      VAL   3 -10.348   4.997   2.043
   23   HG21  VAL   3          3HG2      VAL   3 -13.349   6.439   0.394
   24   HG22  VAL   3          1HG2      VAL   3 -13.810   5.047  -0.594
   25   HG23  VAL   3          2HG2      VAL   3 -12.391   6.020  -1.055
   26    H    SER   4           H        SER   4 -12.154   2.014   1.806
   27    HA   SER   4           HA       SER   4  -9.795   1.397   3.251
   28    HB2  SER   4           1HB      SER   4 -10.894  -0.489   4.310
   29    HB3  SER   4           2HB      SER   4 -11.997   0.871   4.141
   30    HG   SER   4           HG       SER   4 -12.850  -0.164   2.278
   31    H    GLU   5           H        GLU   5 -11.089  -0.879   0.802
   32    HA   GLU   5           HA       GLU   5  -8.929  -2.677   0.698
   33    HB2  GLU   5           2HB      GLU   5  -9.673  -3.507  -1.456
   34    HB3  GLU   5           1HB      GLU   5 -10.967  -3.295  -0.308
   35    HG2  GLU   5           1HG      GLU   5 -11.514  -1.073  -1.558
   36    HG3  GLU   5           2HG      GLU   5 -10.341  -1.553  -2.787
   37    HE2  GLU   5           HE2      GLU   5 -10.694  -3.347  -3.905
   38    H    ARG   6           H        ARG   6  -9.163   0.164  -1.432
   39    HA   ARG   6           HA       ARG   6  -6.599  -0.374  -2.786
   40    HB2  ARG   6           1HB      ARG   6  -8.633   1.010  -3.711
   41    HB3  ARG   6           2HB      ARG   6  -8.143   2.330  -2.653
   42    HG2  ARG   6           1HG      ARG   6  -5.919   2.465  -3.860
   43    HG3  ARG   6           2HG      ARG   6  -6.426   1.153  -4.943
   44    HD2  ARG   6           2HD      ARG   6  -8.379   2.550  -5.741
   45    HD3  ARG   6           1HD      ARG   6  -7.896   3.865  -4.656
   46   HH11  ARG   6          1HH1      ARG   6  -8.836   4.625  -6.714
   47   HH12  ARG   6          2HH1      ARG   6  -8.258   5.587  -8.167
   48   HH21  ARG   6          1HH2      ARG   6  -5.044   4.363  -7.979
   49   HH22  ARG   6          2HH2      ARG   6  -6.254   5.446  -8.832
   50    H    VAL   7           H        VAL   7  -7.287   2.055  -0.147
   51    HA   VAL   7           HA       VAL   7  -4.685   3.032   0.165
   52    HB   VAL   7           HB       VAL   7  -6.810   2.555   2.316
   53   HG11  VAL   7          1HG1      VAL   7  -4.252   4.260   2.598
   54   HG12  VAL   7          2HG1      VAL   7  -4.663   2.804   3.537
   55   HG13  VAL   7          3HG1      VAL   7  -5.637   4.269   3.727
   56   HG21  VAL   7          3HG2      VAL   7  -7.295   4.984   2.034
   57   HG22  VAL   7          1HG2      VAL   7  -7.423   4.199   0.454
   58   HG23  VAL   7          2HG2      VAL   7  -5.982   5.155   0.841
   59    H    HIS   8           H        HIS   8  -5.931   0.046   1.846
   60    HA   HIS   8           HA       HIS   8  -3.692  -0.856   3.170
   61    HB2  HIS   8           1HB      HIS   8  -6.172  -1.854   2.838
   62    HB3  HIS   8           2HB      HIS   8  -5.431  -2.856   1.619
   63    HD2  HIS   8           HD2      HIS   8  -2.818  -3.869   2.706
   64    HE1  HIS   8           HE1      HIS   8  -4.702  -4.874   6.288
   65    HE2  HIS   8           HE2      HIS   8  -2.587  -5.375   4.906
   66    H    VAL   9           H        VAL   9  -4.484  -1.682  -0.255
   67    HA   VAL   9           HA       VAL   9  -2.039  -3.256  -0.681
   68    HB   VAL   9           HB       VAL   9  -2.661  -3.567  -2.916
   69   HG11  VAL   9          3HG2      VAL   9  -3.967  -4.894  -1.272
   70   HG12  VAL   9          1HG2      VAL   9  -5.274  -3.690  -1.335
   71   HG13  VAL   9          2HG2      VAL   9  -4.866  -4.629  -2.785
   72   HG21  VAL   9          1HG1      VAL   9  -4.838  -1.450  -2.762
   73   HG22  VAL   9          2HG1      VAL   9  -3.370  -1.356  -3.758
   74   HG23  VAL   9          3HG1      VAL   9  -4.606  -2.572  -4.121
   75    H    TYR  10           H        TYR  10  -2.731   0.178  -1.177
   76    HA   TYR  10           HA       TYR  10  -0.323   0.739  -2.830
   77    HB2  TYR  10           1HB      TYR  10  -2.513   2.202  -2.698
   78    HB3  TYR  10           2HB      TYR  10  -1.967   2.742  -1.119
   79    HD1  TYR  10           HD1      TYR  10  -1.100   2.731  -4.782
   80    HD2  TYR  10           HD2      TYR  10  -0.239   4.482  -0.945
   81    HE1  TYR  10           HE1      TYR  10   0.205   4.503  -5.874
   82    HE2  TYR  10           HE2      TYR  10   1.049   6.255  -2.052
   83    HH   TYR  10           HH       TYR  10   1.786   7.076  -3.977
   84    H    HIS  11           H        HIS  11  -0.993   0.960   0.706
   85    HA   HIS  11           HA       HIS  11   1.651   2.068   1.408
   86    HB2  HIS  11           2HB      HIS  11  -0.641   0.838   3.036
   87    HB3  HIS  11           1HB      HIS  11   0.907   1.054   3.798
   88    HD2  HIS  11           HD2      HIS  11  -1.589   3.360   1.737
   89    HE1  HIS  11           HE1      HIS  11   0.175   5.697   4.688
   90    HE2  HIS  11           HE2      HIS  11  -1.582   5.780   2.811
   91    H    ILE  12           H        ILE  12   0.575  -1.296   0.982
   92    HA   ILE  12           HA       ILE  12   2.927  -2.547   2.261
   93    HB   ILE  12           HB       ILE  12   0.981  -3.695   0.175
   94   HG12  ILE  12          1HG1      ILE  12   1.179  -4.293   3.201
   95   HG13  ILE  12          2HG1      ILE  12   0.054  -3.119   2.518
   96   HG21  ILE  12          1HG2      ILE  12   3.123  -5.240   1.787
   97   HG22  ILE  12          2HG2      ILE  12   1.890  -5.969   0.727
   98   HG23  ILE  12          3HG2      ILE  12   3.149  -4.958   0.029
   99   HD11  ILE  12          3HD1      ILE  12  -1.094  -4.907   1.176
  100   HD12  ILE  12          1HD1      ILE  12  -0.010  -6.136   1.885
  101   HD13  ILE  12          2HD1      ILE  12  -1.119  -5.236   2.927
  102    H    LEU  13           H        LEU  13   2.222  -1.763  -1.209
  103    HA   LEU  13           HA       LEU  13   4.923  -2.495  -2.153
  104    HB2  LEU  13           1HB      LEU  13   2.611  -0.934  -3.465
  105    HB3  LEU  13           2HB      LEU  13   4.178  -0.995  -4.225
  106    HG   LEU  13           HG       LEU  13   4.122  -3.525  -4.227
  107   HD11  LEU  13          3HD2      LEU  13   1.887  -4.680  -4.094
  108   HD12  LEU  13          1HD2      LEU  13   2.367  -4.038  -2.520
  109   HD13  LEU  13          2HD2      LEU  13   1.137  -3.184  -3.487
  110   HD21  LEU  13          1HD1      LEU  13   3.628  -2.156  -6.256
  111   HD22  LEU  13          2HD1      LEU  13   1.905  -2.072  -5.813
  112   HD23  LEU  13          3HD1      LEU  13   2.649  -3.634  -6.241
  113    H    LYS  14           H        LYS  14   3.488   0.767  -1.334
  114    HA   LYS  14           HA       LYS  14   5.704   2.384  -1.886
  115    HB2  LYS  14           1HB      LYS  14   3.434   3.131  -1.286
  116    HB3  LYS  14           2HB      LYS  14   3.695   2.694   0.399
  117    HG2  LYS  14           2HG      LYS  14   5.468   4.459   0.604
  118    HG3  LYS  14           1HG      LYS  14   5.369   4.794  -1.117
  119    HD2  LYS  14           1HD      LYS  14   4.165   6.537   0.070
  120    HD3  LYS  14           2HD      LYS  14   3.047   5.617  -0.905
  121    HE2  LYS  14           1HE      LYS  14   1.956   6.124   1.200
  122    HE3  LYS  14           2HE      LYS  14   2.217   4.388   1.162
  123    HZ1  LYS  14           2HZ      LYS  14   2.789   5.363   3.287
  124    HZ3  LYS  14           1HZ      LYS  14   3.881   6.377   2.615
  125    H    HIS  15           H        HIS  15   5.199   0.627   1.153
  126    HA   HIS  15           HA       HIS  15   7.556   1.687   2.606
  127    HB2  HIS  15           1HB      HIS  15   5.544   0.804   3.785
  128    HB3  HIS  15           2HB      HIS  15   5.853  -0.810   3.166
  129    HD2  HIS  15           HD2      HIS  15   7.953  -2.191   4.254
  130    HE1  HIS  15           HE1      HIS  15   8.622   0.376   7.465
  131    HE2  HIS  15           HE2      HIS  15   9.214  -1.969   6.587
  132    H    ILE  16           H        ILE  16   7.054  -1.277   0.722
  133    HA   ILE  16           HA       ILE  16   9.724  -2.426   1.242
  134    HB   ILE  16           HB       ILE  16   7.814  -3.148  -1.046
  135   HG12  ILE  16          2HG1      ILE  16   8.287  -4.707   1.587
  136   HG13  ILE  16          1HG1      ILE  16   6.989  -3.527   1.457
  137   HG21  ILE  16          1HG2      ILE  16  10.144  -3.902  -1.566
  138   HG22  ILE  16          2HG2      ILE  16   9.124  -5.294  -1.202
  139   HG23  ILE  16          3HG2      ILE  16  10.272  -4.695   0.020
  140   HD11  ILE  16          3HD1      ILE  16   6.040  -5.730   1.057
  141   HD12  ILE  16          1HD1      ILE  16   5.951  -4.809  -0.462
  142   HD13  ILE  16          2HD1      ILE  16   7.186  -6.080  -0.254
  143    H    LYS  17           H        LYS  17   8.491  -0.627  -1.681
  144    HA   LYS  17           HA       LYS  17  11.089  -0.558  -3.004
  145    HB2  LYS  17           2HB      LYS  17  10.170   0.939  -4.629
  146    HB3  LYS  17           1HB      LYS  17   9.038  -0.320  -4.254
  147    HG2  LYS  17           1HG      LYS  17   7.528   1.368  -4.306
  148    HG3  LYS  17           2HG      LYS  17   7.935   1.528  -2.610
  149    HD2  LYS  17           1HD      LYS  17   9.607   3.381  -3.244
  150    HD3  LYS  17           2HD      LYS  17   9.116   3.196  -4.927
  151    HE2  LYS  17           1HE      LYS  17   6.722   3.807  -4.287
  152    HE3  LYS  17           2HE      LYS  17   7.228   3.992  -2.602
  153    HZ1  LYS  17           2HZ      LYS  17   8.727   5.748  -3.278
  154    HZ3  LYS  17           1HZ      LYS  17   7.191   6.095  -3.714
  155    H    ASP  18           H        ASP  18   9.719   1.813  -0.707
  156    HA   ASP  18           HA       ASP  18  11.908   3.779  -1.103
  157    HB2  ASP  18           2HB      ASP  18   9.854   3.548   1.180
  158    HB3  ASP  18           1HB      ASP  18  11.054   4.818   1.084
  159    HD2  ASP  18           HD2      ASP  18   9.642   6.345  -1.805
  160    H    GLY  19           H        GLY  19  11.403   1.223   1.388
  161    HA2  GLY  19           2HA      GLY  19  13.846   1.855   2.935
  162    HA3  GLY  19           1HA      GLY  19  12.897   0.391   3.068
  163    H    LYS  20           H        LYS  20  13.162  -1.151   1.069
  164    HA   LYS  20           HA       LYS  20  15.876  -1.161  -0.170
  165    HB2  LYS  20           1HB      LYS  20  15.080  -3.380   1.855
  166    HB3  LYS  20           2HB      LYS  20  16.266  -3.659   0.579
  167    HG2  LYS  20           2HG      LYS  20  17.697  -1.774   1.486
  168    HG3  LYS  20           1HG      LYS  20  16.540  -1.538   2.799
  169    HD2  LYS  20           2HD      LYS  20  16.917  -3.919   3.569
  170    HD3  LYS  20           1HD      LYS  20  18.080  -4.158   2.260
  171    HE2  LYS  20           2HE      LYS  20  19.543  -2.309   3.219
  172    HE3  LYS  20           1HE      LYS  20  18.378  -2.070   4.531
  173    HZ1  LYS  20           2HZ      LYS  20  20.162  -3.486   5.223
  174    HZ3  LYS  20           1HZ      LYS  20  18.766  -4.337   5.242
  175    HN1  NH2  21           2HN      NH2  21  14.667  -0.988  -2.059
  176    HN2  NH2  21           1HN      NH2  21  13.245  -2.077  -2.417
  Start of MODEL    4
    1    H1   ACE   1           3HA      ACE   1 -16.800  -3.371  -2.015
    2    H2   ACE   1           1HA      ACE   1 -17.504  -1.908  -1.272
    3    H3   ACE   1           2HA      ACE   1 -15.890  -1.837  -2.047
    4    H    ASN   1           H        ASN   1 -15.028  -2.298   1.600
    5    HA   ASN   1           HA       ASN   1 -16.397  -0.168  -0.044
    6    HB2  ASN   1           2HB      ASN   1 -14.724   0.063   2.530
    7    HB3  ASN   1           1HB      ASN   1 -15.409   1.431   1.691
    8   HD21  ASN   1          1HD2      ASN   1 -17.734   1.675   1.647
    9   HD22  ASN   1          2HD2      ASN   1 -18.758   0.829   2.913
   10    H    GLU   2           H        GLU   2 -15.437   0.959  -1.556
   11    HA   GLU   2           HA       GLU   2 -12.981   0.535  -2.724
   12    HB2  GLU   2           2HB      GLU   2 -15.048   1.908  -3.593
   13    HB3  GLU   2           1HB      GLU   2 -14.365   3.295  -2.771
   14    HG2  GLU   2           2HG      GLU   2 -12.281   3.118  -4.230
   15    HG3  GLU   2           1HG      GLU   2 -12.947   1.688  -5.011
   16    HE2  GLU   2           HE2      GLU   2 -14.686   1.880  -6.228
   17    H    VAL   3           H        VAL   3 -13.381   2.921  -0.129
   18    HA   VAL   3           HA       VAL   3 -10.691   4.121  -0.408
   19    HB   VAL   3           HB       VAL   3 -12.640   4.239   1.975
   20   HG11  VAL   3          3HG2      VAL   3 -10.218   6.041   1.344
   21   HG12  VAL   3          1HG2      VAL   3 -11.388   6.289   2.674
   22   HG13  VAL   3          2HG2      VAL   3 -10.335   4.865   2.678
   23   HG21  VAL   3          1HG1      VAL   3 -12.295   6.285  -0.314
   24   HG22  VAL   3          2HG1      VAL   3 -13.727   5.268  -0.019
   25   HG23  VAL   3          3HG1      VAL   3 -13.289   6.518   1.152
   26    H    SER   4           H        SER   4 -12.066   1.978   2.064
   27    HA   SER   4           HA       SER   4  -9.697   1.189   3.396
   28    HB2  SER   4           2HB      SER   4 -10.796  -0.805   4.243
   29    HB3  SER   4           1HB      SER   4 -11.890   0.571   4.249
   30    HG   SER   4           HG       SER   4 -12.778  -0.234   2.291
   31    H    GLU   5           H        GLU   5 -11.018  -0.776   0.698
   32    HA   GLU   5           HA       GLU   5  -8.875  -2.564   0.382
   33    HB2  GLU   5           1HB      GLU   5  -9.603  -3.135  -1.850
   34    HB3  GLU   5           2HB      GLU   5 -10.916  -3.027  -0.710
   35    HG2  GLU   5           2HG      GLU   5 -11.393  -0.661  -1.725
   36    HG3  GLU   5           1HG      GLU   5 -10.207  -1.047  -2.973
   37    HE2  GLU   5           HE2      GLU   5 -13.106  -2.008  -1.472
   38    H    ARG   6           H        ARG   6  -9.044   0.557  -1.323
   39    HA   ARG   6           HA       ARG   6  -6.460   0.170  -2.715
   40    HB2  ARG   6           1HB      ARG   6  -8.448   1.720  -3.468
   41    HB3  ARG   6           2HB      ARG   6  -7.958   2.854  -2.212
   42    HG2  ARG   6           1HG      ARG   6  -5.679   3.071  -3.345
   43    HG3  ARG   6           2HG      ARG   6  -6.231   1.980  -4.632
   44    HD2  ARG   6           1HD      ARG   6  -8.098   3.601  -5.205
   45    HD3  ARG   6           2HD      ARG   6  -7.541   4.695  -3.927
   46   HH11  ARG   6          2HH1      ARG   6  -8.380   5.870  -5.804
   47   HH12  ARG   6          1HH1      ARG   6  -7.711   7.012  -7.075
   48   HH21  ARG   6          2HH2      ARG   6  -4.614   5.504  -7.123
   49   HH22  ARG   6          1HH2      ARG   6  -5.722   6.816  -7.770
   50    H    VAL   7           H        VAL   7  -7.180   2.185   0.247
   51    HA   VAL   7           HA       VAL   7  -4.579   3.071   0.744
   52    HB   VAL   7           HB       VAL   7  -6.725   2.299   2.789
   53   HG11  VAL   7          1HG1      VAL   7  -4.173   3.960   3.299
   54   HG12  VAL   7          2HG1      VAL   7  -4.572   2.385   4.029
   55   HG13  VAL   7          3HG1      VAL   7  -5.554   3.804   4.422
   56   HG21  VAL   7          3HG2      VAL   7  -7.372   4.166   1.194
   57   HG22  VAL   7          1HG2      VAL   7  -5.915   5.067   1.655
   58   HG23  VAL   7          2HG2      VAL   7  -7.196   4.754   2.853
   59    H    HIS   8           H        HIS   8  -5.873  -0.115   1.970
   60    HA   HIS   8           HA       HIS   8  -3.652  -1.219   3.164
   61    HB2  HIS   8           2HB      HIS   8  -6.155  -2.101   2.694
   62    HB3  HIS   8           1HB      HIS   8  -5.434  -2.940   1.346
   63    HD2  HIS   8           HD2      HIS   8  -2.928  -4.251   2.216
   64    HE1  HIS   8           HE1      HIS   8  -4.770  -5.580   5.713
   65    HE2  HIS   8           HE2      HIS   8  -2.741  -6.043   4.197
   66    H    VAL   9           H        VAL   9  -4.443  -1.522  -0.342
   67    HA   VAL   9           HA       VAL   9  -2.037  -3.088  -0.988
   68    HB   VAL   9           HB       VAL   9  -2.657  -3.080  -3.236
   69   HG11  VAL   9          3HG2      VAL   9  -5.288  -3.348  -1.698
   70   HG12  VAL   9          1HG2      VAL   9  -4.004  -4.578  -1.781
   71   HG13  VAL   9          2HG2      VAL   9  -4.880  -4.104  -3.254
   72   HG21  VAL   9          1HG1      VAL   9  -3.324  -0.735  -3.743
   73   HG22  VAL   9          2HG1      VAL   9  -4.836  -0.961  -2.823
   74   HG23  VAL   9          3HG1      VAL   9  -4.546  -1.880  -4.317
   75    H    TYR  10           H        TYR  10  -2.649   0.399  -1.004
   76    HA   TYR  10           HA       TYR  10  -0.220   1.113  -2.556
   77    HB2  TYR  10           2HB      TYR  10  -2.369   2.606  -2.249
   78    HB3  TYR  10           1HB      TYR  10  -1.821   2.924  -0.613
   79    HD1  TYR  10           HD1      TYR  10  -1.047   3.450  -4.239
   80    HD2  TYR  10           HD2      TYR  10   0.110   4.456  -0.217
   81    HE1  TYR  10           HE1      TYR  10   0.372   5.265  -5.093
   82    HE2  TYR  10           HE2      TYR  10   1.530   6.262  -1.085
   83    HH   TYR  10           HH       TYR  10   2.265   7.331  -2.886
   84    H    HIS  11           H        HIS  11  -0.903   0.863   0.977
   85    HA   HIS  11           HA       HIS  11   1.745   1.850   1.831
   86    HB2  HIS  11           1HB      HIS  11  -0.555   0.395   3.266
   87    HB3  HIS  11           2HB      HIS  11   0.988   0.500   4.055
   88    HD2  HIS  11           HD2      HIS  11  -1.490   3.091   2.342
   89    HE1  HIS  11           HE1      HIS  11   0.178   4.919   5.681
   90    HE2  HIS  11           HE2      HIS  11  -1.539   5.297   3.804
   91    H    ILE  12           H        ILE  12   0.597  -1.459   1.114
   92    HA   ILE  12           HA       ILE  12   3.028  -2.822   2.098
   93    HB   ILE  12           HB       ILE  12   0.939  -3.766   0.050
   94   HG12  ILE  12          1HG1      ILE  12   1.319  -4.605   3.004
   95   HG13  ILE  12          2HG1      ILE  12   0.146  -3.399   2.471
   96   HG21  ILE  12          1HG2      ILE  12   3.161  -5.462   1.378
   97   HG22  ILE  12          2HG2      ILE  12   1.855  -6.088   0.339
   98   HG23  ILE  12          3HG2      ILE  12   3.076  -5.023  -0.346
   99   HD11  ILE  12          3HD1      ILE  12  -0.999  -5.529   2.798
  100   HD12  ILE  12          1HD1      ILE  12  -1.053  -5.112   1.066
  101   HD13  ILE  12          2HD1      ILE  12   0.065  -6.370   1.662
  102    H    LEU  13           H        LEU  13   2.081  -1.659  -1.182
  103    HA   LEU  13           HA       LEU  13   4.623  -2.325  -2.484
  104    HB2  LEU  13           2HB      LEU  13   2.442  -0.266  -3.225
  105    HB3  LEU  13           1HB      LEU  13   3.788  -0.591  -4.288
  106    HG   LEU  13           HG       LEU  13   1.763  -2.747  -3.414
  107   HD11  LEU  13          1HD1      LEU  13   1.842  -1.119  -6.035
  108   HD12  LEU  13          2HD1      LEU  13   0.629  -0.966  -4.740
  109   HD13  LEU  13          3HD1      LEU  13   0.739  -2.470  -5.673
  110   HD21  LEU  13          3HD2      LEU  13   3.893  -2.817  -5.661
  111   HD22  LEU  13          1HD2      LEU  13   2.682  -4.082  -5.331
  112   HD23  LEU  13          2HD2      LEU  13   3.950  -3.744  -4.142
  113    H    LYS  14           H        LYS  14   3.501   0.894  -1.143
  114    HA   LYS  14           HA       LYS  14   5.839   2.346  -1.657
  115    HB2  LYS  14           2HB      LYS  14   3.598   3.153  -0.796
  116    HB3  LYS  14           1HB      LYS  14   4.100   2.779   0.835
  117    HG2  LYS  14           2HG      LYS  14   5.632   4.692  -1.066
  118    HG3  LYS  14           1HG      LYS  14   4.274   5.205  -0.084
  119    HD2  LYS  14           2HD      LYS  14   5.519   4.591   2.034
  120    HD3  LYS  14           1HD      LYS  14   6.891   4.075   1.073
  121    HE2  LYS  14           2HE      LYS  14   7.452   6.253   1.848
  122    HE3  LYS  14           1HE      LYS  14   7.143   6.419   0.123
  123    HZ1  LYS  14           2HZ      LYS  14   4.907   7.239   0.691
  124    HZ3  LYS  14           1HZ      LYS  14   5.212   7.076   2.289
  125    H    HIS  15           H        HIS  15   5.286   0.371   1.242
  126    HA   HIS  15           HA       HIS  15   7.779   1.089   2.672
  127    HB2  HIS  15           2HB      HIS  15   5.742   0.268   3.857
  128    HB3  HIS  15           1HB      HIS  15   5.890  -1.300   3.082
  129    HD2  HIS  15           HD2      HIS  15   7.769  -2.985   4.038
  130    HE1  HIS  15           HE1      HIS  15   9.005  -0.682   7.280
  131    HE2  HIS  15           HE2      HIS  15   9.200  -3.047   6.283
  132    H    ILE  16           H        ILE  16   6.982  -1.610   0.513
  133    HA   ILE  16           HA       ILE  16   9.636  -2.935   0.862
  134    HB   ILE  16           HB       ILE  16   7.507  -3.566  -1.253
  135   HG12  ILE  16          2HG1      ILE  16   8.153  -5.157   1.326
  136   HG13  ILE  16          1HG1      ILE  16   6.878  -3.942   1.303
  137   HG21  ILE  16          1HG2      ILE  16  10.001  -5.196  -0.421
  138   HG22  ILE  16          2HG2      ILE  16   9.752  -4.386  -1.985
  139   HG23  ILE  16          3HG2      ILE  16   8.729  -5.751  -1.538
  140   HD11  ILE  16          3HD1      ILE  16   5.664  -5.193  -0.534
  141   HD12  ILE  16          1HD1      ILE  16   6.876  -6.497  -0.416
  142   HD13  ILE  16          2HD1      ILE  16   5.843  -6.116   0.977
  143    H    LYS  17           H        LYS  17   8.214  -1.073  -1.935
  144    HA   LYS  17           HA       LYS  17  10.721  -1.110  -3.448
  145    HB2  LYS  17           1HB      LYS  17   8.508  -0.899  -4.531
  146    HB3  LYS  17           2HB      LYS  17   8.203   0.638  -3.750
  147    HG2  LYS  17           2HG      LYS  17   8.731   0.937  -6.103
  148    HG3  LYS  17           1HG      LYS  17   9.909   1.781  -5.124
  149    HD2  LYS  17           2HD      LYS  17  11.554  -0.169  -5.496
  150    HD3  LYS  17           1HD      LYS  17  10.325  -0.983  -6.451
  151    HE2  LYS  17           1HE      LYS  17  11.830   0.033  -8.022
  152    HE3  LYS  17           2HE      LYS  17  10.338   0.965  -8.112
  153    HZ1  LYS  17           2HZ      LYS  17  12.799   1.730  -6.628
  154    HZ3  LYS  17           1HZ      LYS  17  12.303   2.358  -8.054
  155    H    ASP  18           H        ASP  18   9.195   1.714  -1.758
  156    HA   ASP  18           HA       ASP  18  11.617   3.375  -2.019
  157    HB2  ASP  18           2HB      ASP  18   9.221   4.246  -1.850
  158    HB3  ASP  18           1HB      ASP  18   9.227   3.866  -0.140
  159    HD2  ASP  18           HD2      ASP  18  10.998   6.651   0.793
  160    H    GLY  19           H        GLY  19  10.343   1.481   0.796
  161    HA2  GLY  19           1HA      GLY  19  12.417   2.400   2.690
  162    HA3  GLY  19           2HA      GLY  19  11.334   1.055   2.934
  163    H    LYS  20           H        LYS  20  11.937  -0.897   1.263
  164    HA   LYS  20           HA       LYS  20  14.711  -1.691   2.099
  165    HB2  LYS  20           1HB      LYS  20  12.489  -3.281   0.662
  166    HB3  LYS  20           2HB      LYS  20  14.086  -3.962   0.949
  167    HG2  LYS  20           1HG      LYS  20  13.804  -3.636   3.434
  168    HG3  LYS  20           2HG      LYS  20  12.199  -2.949   3.171
  169    HD2  LYS  20           2HD      LYS  20  11.444  -5.110   2.087
  170    HD3  LYS  20           1HD      LYS  20  13.048  -5.803   2.353
  171    HE2  LYS  20           1HE      LYS  20  12.754  -5.521   4.866
  172    HE3  LYS  20           2HE      LYS  20  11.148  -4.826   4.599
  173    HZ1  LYS  20           2HZ      LYS  20  10.499  -6.911   3.527
  174    HZ3  LYS  20           1HZ      LYS  20  11.982  -7.553   3.774
  175    HN1  NH2  21           2HN      NH2  21  14.727  -1.418  -2.055
  176    HN2  NH2  21           1HN      NH2  21  13.151  -1.842  -1.217
  Start of MODEL    5
    1    H1   ACE   1           3HA      ACE   1 -16.492  -4.646  -0.090
    2    H2   ACE   1           1HA      ACE   1 -16.692  -4.017   1.563
    3    H3   ACE   1           2HA      ACE   1 -15.055  -4.223   0.872
    4    H    ASN   1           H        ASN   1 -15.352  -1.869   1.819
    5    HA   ASN   1           HA       ASN   1 -16.561   0.131  -0.076
    6    HB2  ASN   1           2HB      ASN   1 -14.916   0.566   2.494
    7    HB3  ASN   1           1HB      ASN   1 -15.529   1.866   1.507
    8   HD21  ASN   1          1HD2      ASN   1 -17.839   2.205   1.398
    9   HD22  ASN   1          2HD2      ASN   1 -18.917   1.535   2.723
   10    H    GLU   2           H        GLU   2 -15.526   1.081  -1.705
   11    HA   GLU   2           HA       GLU   2 -13.093   0.417  -2.778
   12    HB2  GLU   2           1HB      GLU   2 -14.702   3.040  -3.036
   13    HB3  GLU   2           2HB      GLU   2 -13.343   2.705  -4.066
   14    HG2  GLU   2           1HG      GLU   2 -14.471   0.582  -4.921
   15    HG3  GLU   2           2HG      GLU   2 -15.874   0.948  -3.924
   16    HE2  GLU   2           HE2      GLU   2 -13.960   1.896  -6.525
   17    H    VAL   3           H        VAL   3 -13.423   3.079  -0.451
   18    HA   VAL   3           HA       VAL   3 -10.681   4.131  -0.847
   19    HB   VAL   3           HB       VAL   3 -12.642   4.614   1.481
   20   HG11  VAL   3          3HG2      VAL   3 -11.309   6.677   1.951
   21   HG12  VAL   3          1HG2      VAL   3 -10.317   5.221   2.138
   22   HG13  VAL   3          2HG2      VAL   3 -10.138   6.227   0.677
   23   HG21  VAL   3          1HG1      VAL   3 -13.662   5.440  -0.640
   24   HG22  VAL   3          2HG1      VAL   3 -13.190   6.801   0.387
   25   HG23  VAL   3          3HG1      VAL   3 -12.188   6.363  -1.025
   26    H    SER   4           H        SER   4 -12.165   2.362   1.852
   27    HA   SER   4           HA       SER   4  -9.840   1.636   3.296
   28    HB2  SER   4           2HB      SER   4 -11.027  -0.199   4.356
   29    HB3  SER   4           1HB      SER   4 -12.062   1.213   4.190
   30    HG   SER   4           HG       SER   4 -13.098  -0.709   3.620
   31    H    GLU   5           H        GLU   5 -11.233  -0.576   0.842
   32    HA   GLU   5           HA       GLU   5  -9.158  -2.469   0.745
   33    HB2  GLU   5           2HB      GLU   5  -9.918  -3.279  -1.399
   34    HB3  GLU   5           1HB      GLU   5 -11.225  -2.977  -0.290
   35    HG2  GLU   5           1HG      GLU   5 -11.560  -0.718  -1.609
   36    HG3  GLU   5           2HG      GLU   5 -10.429  -1.360  -2.801
   37    HE2  GLU   5           HE2      GLU   5 -12.631  -3.643  -4.166
   38    H    ARG   6           H        ARG   6  -9.212   0.434  -1.328
   39    HA   ARG   6           HA       ARG   6  -6.653  -0.217  -2.647
   40    HB2  ARG   6           1HB      ARG   6  -8.548   1.368  -3.575
   41    HB3  ARG   6           2HB      ARG   6  -7.956   2.596  -2.458
   42    HG2  ARG   6           2HG      ARG   6  -5.626   2.334  -3.611
   43    HG3  ARG   6           1HG      ARG   6  -6.411   1.295  -4.812
   44    HD2  ARG   6           1HD      ARG   6  -7.939   3.200  -5.462
   45    HD3  ARG   6           2HD      ARG   6  -7.206   4.245  -4.255
   46   HH11  ARG   6          1HH1      ARG   6  -5.204   4.793  -3.716
   47   HH12  ARG   6          2HH1      ARG   6  -3.681   5.538  -4.417
   48   HH21  ARG   6          2HH2      ARG   6  -4.286   4.347  -7.590
   49   HH22  ARG   6          1HH2      ARG   6  -3.199   5.301  -6.460
   50    H    VAL   7           H        VAL   7  -7.300   2.113   0.081
   51    HA   VAL   7           HA       VAL   7  -4.687   2.999   0.524
   52    HB   VAL   7           HB       VAL   7  -6.908   2.441   2.554
   53   HG11  VAL   7          3HG2      VAL   7  -4.307   4.003   3.108
   54   HG12  VAL   7          1HG2      VAL   7  -5.749   3.973   4.163
   55   HG13  VAL   7          2HG2      VAL   7  -4.820   2.490   3.896
   56   HG21  VAL   7          1HG1      VAL   7  -7.292   4.891   2.444
   57   HG22  VAL   7          2HG1      VAL   7  -5.891   5.119   1.365
   58   HG23  VAL   7          3HG1      VAL   7  -7.331   4.261   0.791
   59    H    HIS   8           H        HIS   8  -6.010  -0.047   2.032
   60    HA   HIS   8           HA       HIS   8  -3.773  -1.052   3.284
   61    HB2  HIS   8           2HB      HIS   8  -6.278  -1.980   2.960
   62    HB3  HIS   8           1HB      HIS   8  -5.585  -2.950   1.688
   63    HD2  HIS   8           HD2      HIS   8  -2.937  -4.028   2.720
   64    HE1  HIS   8           HE1      HIS   8  -4.836  -5.190   6.246
   65    HE2  HIS   8           HE2      HIS   8  -2.720  -5.633   4.846
   66    H    VAL   9           H        VAL   9  -4.635  -1.736  -0.158
   67    HA   VAL   9           HA       VAL   9  -2.240  -3.353  -0.668
   68    HB   VAL   9           HB       VAL   9  -2.888  -3.600  -2.890
   69   HG11  VAL   9          3HG2      VAL   9  -5.135  -4.569  -2.782
   70   HG12  VAL   9          1HG2      VAL   9  -5.511  -3.634  -1.321
   71   HG13  VAL   9          2HG2      VAL   9  -4.258  -4.894  -1.269
   72   HG21  VAL   9          1HG1      VAL   9  -4.953  -1.374  -2.696
   73   HG22  VAL   9          2HG1      VAL   9  -4.801  -2.494  -4.070
   74   HG23  VAL   9          3HG1      VAL   9  -3.492  -1.357  -3.707
   75    H    TYR  10           H        TYR  10  -2.828   0.130  -1.067
   76    HA   TYR  10           HA       TYR  10  -0.427   0.633  -2.737
   77    HB2  TYR  10           2HB      TYR  10  -2.572   2.167  -2.506
   78    HB3  TYR  10           1HB      TYR  10  -1.934   2.673  -0.952
   79    HD1  TYR  10           HD2      TYR  10   0.164   4.105  -0.870
   80    HD2  TYR  10           HD1      TYR  10  -1.502   2.859  -4.638
   81    HE1  TYR  10           HE2      TYR  10   1.539   5.772  -2.037
   82    HE2  TYR  10           HE1      TYR  10  -0.130   4.537  -5.791
   83    HH   TYR  10           HH       TYR  10   2.089   6.673  -3.991
   84    H    HIS  11           H        HIS  11  -1.040   0.803   0.816
   85    HA   HIS  11           HA       HIS  11   1.644   1.782   1.526
   86    HB2  HIS  11           1HB      HIS  11  -0.652   0.519   3.127
   87    HB3  HIS  11           2HB      HIS  11   0.916   0.636   3.870
   88    HD2  HIS  11           HD2      HIS  11  -1.547   3.142   2.026
   89    HE1  HIS  11           HE1      HIS  11   0.377   5.233   5.062
   90    HE2  HIS  11           HE2      HIS  11  -1.431   5.488   3.250
   91    H    ILE  12           H        ILE  12   0.475  -1.522   0.955
   92    HA   ILE  12           HA       ILE  12   2.801  -2.919   2.112
   93    HB   ILE  12           HB       ILE  12   0.781  -3.858  -0.009
   94   HG12  ILE  12          1HG1      ILE  12   0.995  -4.670   2.966
   95   HG13  ILE  12          2HG1      ILE  12  -0.079  -3.394   2.392
   96   HG21  ILE  12          1HG2      ILE  12   2.892  -5.195  -0.269
   97   HG22  ILE  12          2HG2      ILE  12   1.597  -6.195   0.379
   98   HG23  ILE  12          3HG2      ILE  12   2.872  -5.593   1.468
   99   HD11  ILE  12          3HD1      ILE  12  -1.340  -5.017   0.949
  100   HD12  ILE  12          1HD1      ILE  12  -1.352  -5.473   2.670
  101   HD13  ILE  12          2HD1      ILE  12  -0.310  -6.348   1.541
  102    H    LEU  13           H        LEU  13   2.081  -1.898  -1.296
  103    HA   LEU  13           HA       LEU  13   4.758  -2.649  -2.302
  104    HB2  LEU  13           2HB      LEU  13   2.493  -0.941  -3.505
  105    HB3  LEU  13           1HB      LEU  13   4.035  -1.043  -4.307
  106    HG   LEU  13           HG       LEU  13   2.511  -2.510  -5.362
  107   HD11  LEU  13          1HD1      LEU  13   4.580  -4.274  -3.918
  108   HD12  LEU  13          2HD1      LEU  13   3.799  -4.597  -5.484
  109   HD13  LEU  13          3HD1      LEU  13   4.910  -3.223  -5.319
  110   HD21  LEU  13          3HD2      LEU  13   1.446  -4.505  -4.403
  111   HD22  LEU  13          1HD2      LEU  13   0.933  -3.057  -3.519
  112   HD23  LEU  13          2HD2      LEU  13   2.128  -4.163  -2.796
  113    H    LYS  14           H        LYS  14   3.403   0.601  -1.323
  114    HA   LYS  14           HA       LYS  14   5.644   2.187  -1.843
  115    HB2  LYS  14           1HB      LYS  14   3.349   2.878  -1.063
  116    HB3  LYS  14           2HB      LYS  14   3.809   2.555   0.592
  117    HG2  LYS  14           2HG      LYS  14   5.281   4.550  -1.269
  118    HG3  LYS  14           1HG      LYS  14   3.857   4.977  -0.340
  119    HD2  LYS  14           2HD      LYS  14   5.047   4.414   1.811
  120    HD3  LYS  14           1HD      LYS  14   6.522   4.067   0.930
  121    HE2  LYS  14           2HE      LYS  14   5.096   6.810   0.928
  122    HE3  LYS  14           1HE      LYS  14   6.435   6.368   1.983
  123    HZ1  LYS  14           2HZ      LYS  14   6.557   6.479  -0.976
  124    HZ3  LYS  14           1HZ      LYS  14   7.176   7.586   0.056
  125    H    HIS  15           H        HIS  15   5.180   0.311   1.126
  126    HA   HIS  15           HA       HIS  15   7.611   1.224   2.549
  127    HB2  HIS  15           1HB      HIS  15   5.624   0.311   3.744
  128    HB3  HIS  15           2HB      HIS  15   5.864  -1.265   3.006
  129    HD2  HIS  15           HD2      HIS  15   7.953  -2.781   3.931
  130    HE1  HIS  15           HE1      HIS  15   8.782  -0.466   7.293
  131    HE2  HIS  15           HE2      HIS  15   9.278  -2.760   6.238
  132    H    ILE  16           H        ILE  16   7.028  -1.526   0.396
  133    HA   ILE  16           HA       ILE  16   9.635  -2.838   0.865
  134    HB   ILE  16           HB       ILE  16   7.747  -3.279  -1.512
  135   HG12  ILE  16          1HG1      ILE  16   8.074  -5.060   1.001
  136   HG13  ILE  16          2HG1      ILE  16   6.826  -3.824   0.924
  137   HG21  ILE  16          1HG2      ILE  16  10.109  -5.009  -0.512
  138   HG22  ILE  16          2HG2      ILE  16  10.052  -4.095  -2.036
  139   HG23  ILE  16          3HG2      ILE  16   8.969  -5.468  -1.802
  140   HD11  ILE  16          3HD1      ILE  16   5.804  -5.941   0.326
  141   HD12  ILE  16          1HD1      ILE  16   5.803  -4.904  -1.118
  142   HD13  ILE  16          2HD1      ILE  16   6.976  -6.240  -0.975
  143    H    LYS  17           H        LYS  17   8.537  -0.752  -1.921
  144    HA   LYS  17           HA       LYS  17  11.251  -0.653  -3.079
  145    HB2  LYS  17           2HB      LYS  17  10.444   0.894  -4.719
  146    HB3  LYS  17           1HB      LYS  17   9.358  -0.464  -4.550
  147    HG2  LYS  17           2HG      LYS  17   7.752   1.004  -3.215
  148    HG3  LYS  17           1HG      LYS  17   8.841   2.370  -3.429
  149    HD2  LYS  17           2HD      LYS  17   8.617   2.221  -5.911
  150    HD3  LYS  17           1HD      LYS  17   7.584   0.807  -5.788
  151    HE2  LYS  17           1HE      LYS  17   6.853   3.574  -4.591
  152    HE3  LYS  17           2HE      LYS  17   6.413   3.059  -6.217
  153    HZ1  LYS  17           2HZ      LYS  17   5.197   1.194  -5.262
  154    HZ3  LYS  17           1HZ      LYS  17   5.591   1.653  -3.743
  155    H    ASP  18           H        ASP  18   9.548   1.645  -0.932
  156    HA   ASP  18           HA       ASP  18  11.624   3.730  -1.092
  157    HB2  ASP  18           2HB      ASP  18   9.205   4.122  -0.443
  158    HB3  ASP  18           1HB      ASP  18   9.488   3.328   1.095
  159    HD2  ASP  18           HD2      ASP  18  10.597   4.319   2.563
  160    H    GLY  19           H        GLY  19  10.992   1.230   1.444
  161    HA2  GLY  19           2HA      GLY  19  13.340   1.897   3.105
  162    HA3  GLY  19           1HA      GLY  19  12.375   0.441   3.229
  163    H    LYS  20           H        LYS  20  12.734  -1.142   1.285
  164    HA   LYS  20           HA       LYS  20  15.684  -1.737   1.164
  165    HB2  LYS  20           1HB      LYS  20  13.199  -3.364   0.331
  166    HB3  LYS  20           2HB      LYS  20  14.809  -3.844  -0.182
  167    HG2  LYS  20           1HG      LYS  20  14.390  -5.150   1.692
  168    HG3  LYS  20           2HG      LYS  20  15.580  -3.973   2.220
  169    HD2  LYS  20           1HD      LYS  20  13.786  -2.664   3.400
  170    HD3  LYS  20           2HD      LYS  20  12.541  -3.751   2.804
  171    HE2  LYS  20           1HE      LYS  20  14.877  -4.593   4.666
  172    HE3  LYS  20           2HE      LYS  20  13.277  -4.114   5.226
  173    HZ1  LYS  20           2HZ      LYS  20  13.502  -6.496   5.083
  174    HZ3  LYS  20           1HZ      LYS  20  13.851  -6.444   3.486
  175    HN1  NH2  21           2HN      NH2  21  14.432  -0.989  -2.733
  176    HN2  NH2  21           1HN      NH2  21  13.258  -1.799  -1.578
  Start of MODEL    6
    1    H1   ACE   1           3HA      ACE   1 -17.734  -1.602  -1.163
    2    H2   ACE   1           1HA      ACE   1 -16.161  -1.739  -2.012
    3    H3   ACE   1           2HA      ACE   1 -17.262  -3.140  -1.936
    4    H    ASN   1           H        ASN   1 -15.235  -2.323   1.612
    5    HA   ASN   1           HA       ASN   1 -16.500  -0.035   0.108
    6    HB2  ASN   1           1HB      ASN   1 -14.672  -0.039   2.585
    7    HB3  ASN   1           2HB      ASN   1 -15.280   1.413   1.831
    8   HD21  ASN   1          1HD2      ASN   1 -17.575   1.856   1.927
    9   HD22  ASN   1          2HD2      ASN   1 -18.597   1.057   3.225
   10    H    GLU   2           H        GLU   2 -15.539   0.785  -1.641
   11    HA   GLU   2           HA       GLU   2 -13.096   0.232  -2.745
   12    HB2  GLU   2           2HB      GLU   2 -14.826   2.778  -2.992
   13    HB3  GLU   2           1HB      GLU   2 -13.470   2.495  -4.045
   14    HG2  GLU   2           2HG      GLU   2 -14.519   0.322  -4.863
   15    HG3  GLU   2           1HG      GLU   2 -15.920   0.623  -3.842
   16    HE2  GLU   2           HE2      GLU   2 -17.297   3.101  -5.820
   17    H    VAL   3           H        VAL   3 -13.511   2.912  -0.450
   18    HA   VAL   3           HA       VAL   3 -10.817   4.062  -0.878
   19    HB   VAL   3           HB       VAL   3 -12.769   4.481   1.470
   20   HG11  VAL   3          3HG2      VAL   3 -10.468   5.183   2.107
   21   HG12  VAL   3          1HG2      VAL   3 -10.333   6.180   0.636
   22   HG13  VAL   3          2HG2      VAL   3 -11.513   6.601   1.912
   23   HG21  VAL   3          1HG1      VAL   3 -13.838   5.254  -0.648
   24   HG22  VAL   3          2HG1      VAL   3 -12.405   6.232  -1.050
   25   HG23  VAL   3          3HG1      VAL   3 -13.413   6.638   0.368
   26    H    SER   4           H        SER   4 -12.201   2.243   1.834
   27    HA   SER   4           HA       SER   4  -9.869   1.601   3.301
   28    HB2  SER   4           2HB      SER   4 -12.252  -0.305   2.931
   29    HB3  SER   4           1HB      SER   4 -11.028  -0.425   4.197
   30    HG   SER   4           HG       SER   4 -11.607   1.676   4.866
   31    H    GLU   5           H        GLU   5 -11.168  -0.660   0.837
   32    HA   GLU   5           HA       GLU   5  -9.022  -2.473   0.741
   33    HB2  GLU   5           2HB      GLU   5  -9.764  -3.331  -1.388
   34    HB3  GLU   5           1HB      GLU   5 -11.075  -3.067  -0.275
   35    HG2  GLU   5           2HG      GLU   5 -11.496  -0.833  -1.615
   36    HG3  GLU   5           1HG      GLU   5 -10.353  -1.451  -2.808
   37    HE2  GLU   5           HE2      GLU   5 -12.494  -3.805  -4.142
   38    H    ARG   6           H        ARG   6  -9.201   0.399  -1.359
   39    HA   ARG   6           HA       ARG   6  -6.628  -0.170  -2.693
   40    HB2  ARG   6           2HB      ARG   6  -8.609   1.273  -3.643
   41    HB3  ARG   6           1HB      ARG   6  -8.118   2.561  -2.547
   42    HG2  ARG   6           1HG      ARG   6  -5.838   2.624  -3.698
   43    HG3  ARG   6           2HG      ARG   6  -6.393   1.375  -4.830
   44    HD2  ARG   6           1HD      ARG   6  -8.256   2.911  -5.611
   45    HD3  ARG   6           2HD      ARG   6  -7.699   4.161  -4.485
   46   HH11  ARG   6          2HH2      ARG   6  -8.529   5.095  -6.489
   47   HH12  ARG   6          1HH2      ARG   6  -7.856   6.066  -7.894
   48   HH21  ARG   6          2HH1      ARG   6  -4.768   4.546  -7.756
   49   HH22  ARG   6          1HH1      ARG   6  -5.869   5.774  -8.561
   50    H    VAL   7           H        VAL   7  -7.328   2.225  -0.031
   51    HA   VAL   7           HA       VAL   7  -4.720   3.161   0.357
   52    HB   VAL   7           HB       VAL   7  -6.909   2.682   2.443
   53   HG11  VAL   7          1HG1      VAL   7  -5.747   4.343   3.919
   54   HG12  VAL   7          2HG1      VAL   7  -4.787   2.870   3.722
   55   HG13  VAL   7          3HG1      VAL   7  -4.336   4.340   2.824
   56   HG21  VAL   7          3HG2      VAL   7  -5.998   5.290   1.036
   57   HG22  VAL   7          1HG2      VAL   7  -7.444   4.364   0.596
   58   HG23  VAL   7          2HG2      VAL   7  -7.345   5.121   2.192
   59    H    HIS   8           H        HIS   8  -6.036   0.177   1.995
   60    HA   HIS   8           HA       HIS   8  -3.812  -0.765   3.315
   61    HB2  HIS   8           1HB      HIS   8  -6.309  -1.715   2.995
   62    HB3  HIS   8           2HB      HIS   8  -5.590  -2.739   1.779
   63    HD2  HIS   8           HD2      HIS   8  -2.981  -3.777   2.873
   64    HE1  HIS   8           HE1      HIS   8  -4.876  -4.732   6.463
   65    HE2  HIS   8           HE2      HIS   8  -2.766  -5.266   5.086
   66    H    VAL   9           H        VAL   9  -4.624  -1.573  -0.115
   67    HA   VAL   9           HA       VAL   9  -2.222  -3.214  -0.526
   68    HB   VAL   9           HB       VAL   9  -2.842  -3.541  -2.748
   69   HG11  VAL   9          3HG2      VAL   9  -5.489  -3.521  -1.217
   70   HG12  VAL   9          1HG2      VAL   9  -4.231  -4.774  -1.094
   71   HG13  VAL   9          2HG2      VAL   9  -5.083  -4.513  -2.634
   72   HG21  VAL   9          1HG1      VAL   9  -4.910  -1.310  -2.659
   73   HG22  VAL   9          2HG1      VAL   9  -4.740  -2.478  -3.990
   74   HG23  VAL   9          3HG1      VAL   9  -3.436  -1.328  -3.651
   75    H    TYR  10           H        TYR  10  -2.815   0.235  -1.043
   76    HA   TYR  10           HA       TYR  10  -0.387   0.717  -2.687
   77    HB2  TYR  10           1HB      TYR  10  -2.516   2.258  -2.574
   78    HB3  TYR  10           2HB      TYR  10  -1.974   2.768  -0.983
   79    HD1  TYR  10           HD1      TYR  10  -0.811   2.581  -4.595
   80    HD2  TYR  10           HD2      TYR  10  -0.451   4.629  -0.825
   81    HE1  TYR  10           HE1      TYR  10   0.577   4.310  -5.656
   82    HE2  TYR  10           HE2      TYR  10   0.922   6.355  -1.902
   83    HH   TYR  10           HH       TYR  10   1.728   6.188  -5.371
   84    H    HIS  11           H        HIS  11  -1.029   0.897   0.843
   85    HA   HIS  11           HA       HIS  11   1.638   1.962   1.553
   86    HB2  HIS  11           1HB      HIS  11  -0.667   0.734   3.171
   87    HB3  HIS  11           2HB      HIS  11   0.882   0.925   3.931
   88    HD2  HIS  11           HD2      HIS  11  -1.593   3.287   1.910
   89    HE1  HIS  11           HE1      HIS  11   0.163   5.546   4.927
   90    HE2  HIS  11           HE2      HIS  11  -1.585   5.680   3.045
   91    H    ILE  12           H        ILE  12   0.451  -1.379   1.155
   92    HA   ILE  12           HA       ILE  12   2.782  -2.712   2.367
   93    HB   ILE  12           HB       ILE  12   0.772  -3.765   0.294
   94   HG12  ILE  12          2HG1      ILE  12   0.988  -4.447   3.301
   95   HG13  ILE  12          1HG1      ILE  12  -0.081  -3.189   2.679
   96   HG21  ILE  12          1HG2      ILE  12   2.878  -5.412   1.852
   97   HG22  ILE  12          2HG2      ILE  12   2.880  -5.112   0.096
   98   HG23  ILE  12          3HG2      ILE  12   1.598  -6.083   0.809
   99   HD11  ILE  12          3HD1      ILE  12  -0.321  -6.176   1.944
  100   HD12  ILE  12          1HD1      ILE  12  -1.362  -5.256   3.038
  101   HD13  ILE  12          2HD1      ILE  12  -1.349  -4.867   1.300
  102    H    LEU  13           H        LEU  13   2.068  -1.853  -1.079
  103    HA   LEU  13           HA       LEU  13   4.722  -2.692  -2.063
  104    HB2  LEU  13           2HB      LEU  13   2.479  -1.011  -3.343
  105    HB3  LEU  13           1HB      LEU  13   4.045  -1.136  -4.111
  106    HG   LEU  13           HG       LEU  13   3.865  -3.662  -4.135
  107   HD11  LEU  13          3HD2      LEU  13   0.898  -3.188  -3.398
  108   HD12  LEU  13          1HD2      LEU  13   2.085  -4.099  -2.429
  109   HD13  LEU  13          2HD2      LEU  13   1.583  -4.713  -4.008
  110   HD21  LEU  13          1HD1      LEU  13   3.437  -2.253  -6.151
  111   HD22  LEU  13          2HD1      LEU  13   1.720  -2.091  -5.707
  112   HD23  LEU  13          3HD1      LEU  13   2.389  -3.682  -6.150
  113    H    LYS  14           H        LYS  14   3.456   0.651  -1.210
  114    HA   LYS  14           HA       LYS  14   5.776   2.108  -1.768
  115    HB2  LYS  14           1HB      LYS  14   3.701   2.519   0.424
  116    HB3  LYS  14           2HB      LYS  14   5.012   3.649   0.257
  117    HG2  LYS  14           2HG      LYS  14   3.261   3.031  -2.198
  118    HG3  LYS  14           1HG      LYS  14   2.702   4.076  -0.915
  119    HD2  LYS  14           2HD      LYS  14   3.574   5.530  -2.544
  120    HD3  LYS  14           1HD      LYS  14   4.692   5.594  -1.194
  121    HE2  LYS  14           2HE      LYS  14   6.315   4.109  -2.459
  122    HE3  LYS  14           1HE      LYS  14   5.148   3.951  -3.784
  123    HZ1  LYS  14           2HZ      LYS  14   6.818   5.629  -4.206
  124    HZ3  LYS  14           1HZ      LYS  14   6.417   6.470  -2.863
  125    H    HIS  15           H        HIS  15   5.257   0.313   1.237
  126    HA   HIS  15           HA       HIS  15   7.669   1.287   2.664
  127    HB2  HIS  15           2HB      HIS  15   5.660   0.415   3.864
  128    HB3  HIS  15           1HB      HIS  15   5.923  -1.188   3.198
  129    HD2  HIS  15           HD2      HIS  15   7.996  -2.645   4.220
  130    HE1  HIS  15           HE1      HIS  15   8.829  -0.149   7.448
  131    HE2  HIS  15           HE2      HIS  15   9.327  -2.497   6.521
  132    H    ILE  16           H        ILE  16   7.055  -1.588   0.688
  133    HA   ILE  16           HA       ILE  16   9.715  -2.817   1.114
  134    HB   ILE  16           HB       ILE  16   7.712  -3.458  -1.122
  135   HG12  ILE  16          2HG1      ILE  16   8.198  -5.049   1.488
  136   HG13  ILE  16          1HG1      ILE  16   6.927  -3.836   1.393
  137   HG21  ILE  16          1HG2      ILE  16   8.954  -5.637  -1.330
  138   HG22  ILE  16          2HG2      ILE  16  10.005  -4.269  -1.702
  139   HG23  ILE  16          3HG2      ILE  16  10.147  -5.083  -0.127
  140   HD11  ILE  16          3HD1      ILE  16   5.914  -6.011   0.999
  141   HD12  ILE  16          1HD1      ILE  16   5.813  -5.071  -0.507
  142   HD13  ILE  16          2HD1      ILE  16   7.019  -6.376  -0.343
  143    H    LYS  17           H        LYS  17   8.400  -0.934  -1.710
  144    HA   LYS  17           HA       LYS  17  10.955  -0.931  -3.148
  145    HB2  LYS  17           2HB      LYS  17   9.965   0.495  -4.776
  146    HB3  LYS  17           1HB      LYS  17   8.818  -0.738  -4.318
  147    HG2  LYS  17           1HG      LYS  17   7.755   1.099  -2.740
  148    HG3  LYS  17           2HG      LYS  17   8.733   2.263  -3.601
  149    HD2  LYS  17           1HD      LYS  17   6.692   0.368  -4.968
  150    HD3  LYS  17           2HD      LYS  17   6.310   1.954  -4.353
  151    HE2  LYS  17           1HE      LYS  17   6.594   2.325  -6.660
  152    HE3  LYS  17           2HE      LYS  17   8.054   2.992  -5.938
  153    HZ1  LYS  17           2HZ      LYS  17   8.556   1.696  -7.875
  154    HZ3  LYS  17           1HZ      LYS  17   9.221   0.965  -6.573
  155    H    ASP  18           H        ASP  18   9.527   1.591  -1.039
  156    HA   ASP  18           HA       ASP  18  11.717   3.532  -1.513
  157    HB2  ASP  18           1HB      ASP  18   9.652   3.513   0.764
  158    HB3  ASP  18           2HB      ASP  18  10.763   4.822   0.415
  159    HD2  ASP  18           HD2      ASP  18   8.040   4.761   0.546
  160    H    GLY  19           H        GLY  19  11.057   1.306   1.249
  161    HA2  GLY  19           2HA      GLY  19  13.452   2.047   2.805
  162    HA3  GLY  19           1HA      GLY  19  12.462   0.625   3.062
  163    H    LYS  20           H        LYS  20  12.758  -1.123   1.264
  164    HA   LYS  20           HA       LYS  20  15.691  -1.774   1.125
  165    HB2  LYS  20           1HB      LYS  20  13.181  -3.406   0.370
  166    HB3  LYS  20           2HB      LYS  20  14.808  -4.001   0.042
  167    HG2  LYS  20           1HG      LYS  20  15.383  -3.847   2.495
  168    HG3  LYS  20           2HG      LYS  20  13.752  -3.273   2.849
  169    HD2  LYS  20           2HD      LYS  20  12.787  -5.404   1.899
  170    HD3  LYS  20           1HD      LYS  20  14.399  -6.009   1.550
  171    HE2  LYS  20           2HE      LYS  20  13.358  -5.313   4.389
  172    HE3  LYS  20           1HE      LYS  20  13.322  -6.923   3.675
  173    HZ1  LYS  20           2HZ      LYS  20  15.795  -5.362   4.157
  174    HZ3  LYS  20           1HZ      LYS  20  15.740  -6.857   3.496
  175    HN1  NH2  21           2HN      NH2  21  14.371  -1.291  -2.793
  176    HN2  NH2  21           1HN      NH2  21  13.188  -1.938  -1.548
  Start of MODEL    7
    1    H1   ACE   1           3HA      ACE   1 -15.065  -0.767   4.238
    2    H2   ACE   1           1HA      ACE   1 -15.319   0.857   3.554
    3    H3   ACE   1           2HA      ACE   1 -16.715  -0.217   3.867
    4    H    ASN   1           H        ASN   1 -16.985   0.489   1.528
    5    HA   ASN   1           HA       ASN   1 -16.045  -1.743  -0.288
    6    HB2  ASN   1           2HB      ASN   1 -18.488  -1.139  -0.072
    7    HB3  ASN   1           1HB      ASN   1 -18.173   0.425  -0.803
    8   HD21  ASN   1          1HD2      ASN   1 -18.118   0.487  -3.060
    9   HD22  ASN   1          2HD2      ASN   1 -18.301  -1.001  -4.118
   10    H    GLU   2           H        GLU   2 -14.824  -1.349  -2.051
   11    HA   GLU   2           HA       GLU   2 -12.902  -0.678  -3.082
   12    HB2  GLU   2           1HB      GLU   2 -15.035   0.350  -4.199
   13    HB3  GLU   2           2HB      GLU   2 -14.568   1.879  -3.491
   14    HG2  GLU   2           2HG      GLU   2 -12.378   1.821  -4.794
   15    HG3  GLU   2           1HG      GLU   2 -12.816   0.254  -5.466
   16    HE2  GLU   2           HE2      GLU   2 -15.080   1.480  -7.775
   17    H    VAL   3           H        VAL   3 -13.592   1.694  -0.623
   18    HA   VAL   3           HA       VAL   3 -10.987   3.103  -0.870
   19    HB   VAL   3           HB       VAL   3 -13.047   3.181   1.420
   20   HG11  VAL   3          1HG1      VAL   3 -10.829   4.004   2.195
   21   HG12  VAL   3          2HG1      VAL   3 -11.982   5.345   2.080
   22   HG13  VAL   3          3HG1      VAL   3 -10.734   5.130   0.817
   23   HG21  VAL   3          3HG2      VAL   3 -13.825   5.367   0.473
   24   HG22  VAL   3          1HG2      VAL   3 -14.111   4.042  -0.663
   25   HG23  VAL   3          2HG2      VAL   3 -12.748   5.155  -0.937
   26    H    SER   4           H        SER   4 -12.311   0.987   1.658
   27    HA   SER   4           HA       SER   4  -9.959   0.453   3.146
   28    HB2  SER   4           2HB      SER   4 -12.166  -1.614   2.625
   29    HB3  SER   4           1HB      SER   4 -10.937  -1.726   3.886
   30    HG   SER   4           HG       SER   4 -12.850  -0.801   4.625
   31    H    GLU   5           H        GLU   5 -11.014  -1.747   0.515
   32    HA   GLU   5           HA       GLU   5  -8.715  -3.342   0.328
   33    HB2  GLU   5           1HB      GLU   5  -9.344  -4.027  -1.935
   34    HB3  GLU   5           2HB      GLU   5 -10.643  -4.077  -0.766
   35    HG2  GLU   5           2HG      GLU   5 -11.580  -1.918  -1.721
   36    HG3  GLU   5           1HG      GLU   5 -10.294  -1.904  -2.938
   37    HE2  GLU   5           HE2      GLU   5 -13.086  -3.365  -1.808
   38    H    ARG   6           H        ARG   6  -9.122  -0.341  -1.573
   39    HA   ARG   6           HA       ARG   6  -6.471  -0.597  -2.864
   40    HB2  ARG   6           1HB      ARG   6  -8.529   0.791  -3.767
   41    HB3  ARG   6           2HB      ARG   6  -8.113   2.021  -2.576
   42    HG2  ARG   6           1HG      ARG   6  -5.733   2.071  -3.672
   43    HG3  ARG   6           2HG      ARG   6  -6.386   1.040  -4.955
   44    HD2  ARG   6           1HD      ARG   6  -8.072   2.823  -5.539
   45    HD3  ARG   6           2HD      ARG   6  -7.501   3.848  -4.231
   46   HH11  ARG   6          2HH1      ARG   6  -5.584   4.552  -3.562
   47   HH12  ARG   6          1HH1      ARG   6  -4.126   5.504  -4.141
   48   HH21  ARG   6          2HH2      ARG   6  -4.492   4.513  -7.416
   49   HH22  ARG   6          1HH2      ARG   6  -3.552   5.482  -6.173
   50    H    VAL   7           H        VAL   7  -7.456   1.510  -0.043
   51    HA   VAL   7           HA       VAL   7  -4.984   2.691   0.485
   52    HB   VAL   7           HB       VAL   7  -7.122   1.752   2.462
   53   HG11  VAL   7          1HG1      VAL   7  -4.743   3.609   3.109
   54   HG12  VAL   7          2HG1      VAL   7  -6.178   3.359   4.145
   55   HG13  VAL   7          3HG1      VAL   7  -5.072   2.014   3.830
   56   HG21  VAL   7          3HG2      VAL   7  -6.465   4.593   1.404
   57   HG22  VAL   7          1HG2      VAL   7  -7.825   4.135   2.461
   58   HG23  VAL   7          2HG2      VAL   7  -7.778   3.582   0.781
   59    H    HIS   8           H        HIS   8  -5.914  -0.573   1.813
   60    HA   HIS   8           HA       HIS   8  -3.579  -1.342   3.056
   61    HB2  HIS   8           2HB      HIS   8  -5.930  -2.580   2.635
   62    HB3  HIS   8           1HB      HIS   8  -5.097  -3.376   1.326
   63    HD2  HIS   8           HD2      HIS   8  -2.336  -4.129   2.352
   64    HE1  HIS   8           HE1      HIS   8  -4.095  -5.742   5.771
   65    HE2  HIS   8           HE2      HIS   8  -1.920  -5.804   4.393
   66    H    VAL   9           H        VAL   9  -4.302  -1.974  -0.428
   67    HA   VAL   9           HA       VAL   9  -1.696  -3.195  -0.986
   68    HB   VAL   9           HB       VAL   9  -2.287  -3.396  -3.232
   69   HG11  VAL   9          1HG1      VAL   9  -4.886  -3.906  -1.700
   70   HG12  VAL   9          2HG1      VAL   9  -4.374  -4.682  -3.214
   71   HG13  VAL   9          3HG1      VAL   9  -3.463  -4.974  -1.714
   72   HG21  VAL   9          3HG2      VAL   9  -4.729  -1.574  -2.961
   73   HG22  VAL   9          1HG2      VAL   9  -4.267  -2.504  -4.407
   74   HG23  VAL   9          2HG2      VAL   9  -3.244  -1.172  -3.857
   75    H    TYR  10           H        TYR  10  -2.758   0.163  -1.189
   76    HA   TYR  10           HA       TYR  10  -0.468   1.134  -2.801
   77    HB2  TYR  10           2HB      TYR  10  -2.854   2.249  -2.472
   78    HB3  TYR  10           1HB      TYR  10  -2.273   2.790  -0.908
   79    HD1  TYR  10           HD1      TYR  10  -1.242   2.803  -4.583
   80    HD2  TYR  10           HD2      TYR  10  -1.380   5.011  -0.892
   81    HE1  TYR  10           HE1      TYR  10  -0.415   4.805  -5.741
   82    HE2  TYR  10           HE2      TYR  10  -0.546   7.002  -2.060
   83    HH   TYR  10           HH       TYR  10   0.109   7.870  -3.996
   84    H    HIS  11           H        HIS  11  -1.092   0.993   0.744
   85    HA   HIS  11           HA       HIS  11   1.412   2.295   1.566
   86    HB2  HIS  11           1HB      HIS  11  -0.684   0.623   3.036
   87    HB3  HIS  11           2HB      HIS  11   0.851   0.893   3.809
   88    HD2  HIS  11           HD2      HIS  11  -1.957   3.115   2.143
   89    HE1  HIS  11           HE1      HIS  11  -0.195   5.372   5.158
   90    HE2  HIS  11           HE2      HIS  11  -2.110   5.423   3.442
   91    H    ILE  12           H        ILE  12   0.702  -1.118   0.813
   92    HA   ILE  12           HA       ILE  12   3.162  -2.304   1.874
   93    HB   ILE  12           HB       ILE  12   1.272  -3.240  -0.360
   94   HG12  ILE  12          2HG1      ILE  12   1.662  -4.372   2.493
   95   HG13  ILE  12          1HG1      ILE  12   0.441  -3.161   2.102
   96   HG21  ILE  12          1HG2      ILE  12   3.594  -4.877   0.857
   97   HG22  ILE  12          2HG2      ILE  12   3.479  -4.300  -0.826
   98   HG23  ILE  12          3HG2      ILE  12   2.345  -5.511  -0.244
   99   HD11  ILE  12          3HD1      ILE  12  -0.678  -4.745   0.489
  100   HD12  ILE  12          1HD1      ILE  12   0.503  -6.010   0.919
  101   HD13  ILE  12          2HD1      ILE  12  -0.601  -5.382   2.150
  102    H    LEU  13           H        LEU  13   2.453  -0.948  -1.392
  103    HA   LEU  13           HA       LEU  13   5.144  -1.380  -2.488
  104    HB2  LEU  13           1HB      LEU  13   2.800   0.421  -3.346
  105    HB3  LEU  13           2HB      LEU  13   4.364   0.634  -4.082
  106    HG   LEU  13           HG       LEU  13   4.419  -1.802  -4.767
  107   HD11  LEU  13          1HD1      LEU  13   2.687  -2.803  -3.245
  108   HD12  LEU  13          2HD1      LEU  13   2.261  -3.066  -4.941
  109   HD13  LEU  13          3HD1      LEU  13   1.422  -1.805  -4.007
  110   HD21  LEU  13          3HD2      LEU  13   2.130  -0.079  -5.919
  111   HD22  LEU  13          1HD2      LEU  13   2.936  -1.436  -6.743
  112   HD23  LEU  13          2HD2      LEU  13   3.851   0.033  -6.362
  113    H    LYS  14           H        LYS  14   3.789   1.519  -0.771
  114    HA   LYS  14           HA       LYS  14   5.972   3.271  -0.963
  115    HB2  LYS  14           1HB      LYS  14   4.318   2.886   1.594
  116    HB3  LYS  14           2HB      LYS  14   5.347   4.263   1.243
  117    HG2  LYS  14           1HG      LYS  14   3.900   4.880  -0.725
  118    HG3  LYS  14           2HG      LYS  14   2.861   3.498  -0.384
  119    HD2  LYS  14           2HD      LYS  14   2.461   4.461   1.985
  120    HD3  LYS  14           1HD      LYS  14   3.368   5.894   1.488
  121    HE2  LYS  14           2HE      LYS  14   1.666   6.233  -0.423
  122    HE3  LYS  14           1HE      LYS  14   0.765   4.839   0.196
  123    HZ1  LYS  14           2HZ      LYS  14   0.511   6.022   2.303
  124    HZ3  LYS  14           1HZ      LYS  14   1.347   7.307   1.736
  125    H    HIS  15           H        HIS  15   5.643   0.778   1.546
  126    HA   HIS  15           HA       HIS  15   8.230   1.340   2.898
  127    HB2  HIS  15           2HB      HIS  15   6.261   0.385   4.102
  128    HB3  HIS  15           1HB      HIS  15   6.359  -1.085   3.148
  129    HD2  HIS  15           HD2      HIS  15   8.352  -2.832   3.745
  130    HE1  HIS  15           HE1      HIS  15   9.659  -0.974   7.236
  131    HE2  HIS  15           HE2      HIS  15   9.872  -3.167   5.906
  132    H    ILE  16           H        ILE  16   7.314  -1.010   0.408
  133    HA   ILE  16           HA       ILE  16   9.945  -2.425   0.508
  134    HB   ILE  16           HB       ILE  16   7.729  -2.758  -1.588
  135   HG12  ILE  16          1HG1      ILE  16   8.457  -4.670   0.738
  136   HG13  ILE  16          2HG1      ILE  16   7.194  -3.458   0.917
  137   HG21  ILE  16          1HG2      ILE  16  10.215  -4.521  -1.084
  138   HG22  ILE  16          2HG2      ILE  16   9.949  -3.482  -2.502
  139   HG23  ILE  16          3HG2      ILE  16   8.900  -4.873  -2.230
  140   HD11  ILE  16          3HD1      ILE  16   6.125  -5.560   0.353
  141   HD12  ILE  16          1HD1      ILE  16   7.110  -5.773  -1.109
  142   HD13  ILE  16          2HD1      ILE  16   5.910  -4.455  -1.025
  143    H    LYS  17           H        LYS  17   8.479  -0.247  -2.026
  144    HA   LYS  17           HA       LYS  17  10.865  -0.125  -3.656
  145    HB2  LYS  17           1HB      LYS  17   8.576   0.421  -4.470
  146    HB3  LYS  17           2HB      LYS  17   8.497   1.837  -3.447
  147    HG2  LYS  17           2HG      LYS  17   8.856   2.434  -5.793
  148    HG3  LYS  17           1HG      LYS  17  10.152   3.040  -4.798
  149    HD2  LYS  17           1HD      LYS  17  11.118   2.216  -6.864
  150    HD3  LYS  17           2HD      LYS  17  11.657   1.174  -5.571
  151    HE2  LYS  17           2HE      LYS  17  11.159  -0.238  -7.466
  152    HE3  LYS  17           1HE      LYS  17   9.924  -0.578  -6.259
  153    HZ1  LYS  17           2HZ      LYS  17   9.614   1.175  -8.641
  154    HZ3  LYS  17           1HZ      LYS  17   9.015  -0.337  -8.477
  155    H    ASP  18           H        ASP  18   9.727   2.356  -1.274
  156    HA   ASP  18           HA       ASP  18  12.201   3.960  -1.536
  157    HB2  ASP  18           2HB      ASP  18   9.913   4.883  -0.879
  158    HB3  ASP  18           1HB      ASP  18  10.087   4.128   0.695
  159    HD2  ASP  18           HD2      ASP  18  12.141   7.464  -0.341
  160    H    GLY  19           H        GLY  19  11.082   1.665   1.020
  161    HA2  GLY  19           2HA      GLY  19  13.563   1.940   2.649
  162    HA3  GLY  19           1HA      GLY  19  12.260   0.817   2.936
  163    H    LYS  20           H        LYS  20  12.191  -1.116   1.373
  164    HA   LYS  20           HA       LYS  20  14.530  -2.003   0.019
  165    HB2  LYS  20           1HB      LYS  20  15.551  -2.102   2.453
  166    HB3  LYS  20           2HB      LYS  20  14.408  -3.393   2.790
  167    HG2  LYS  20           2HG      LYS  20  16.496  -4.414   2.302
  168    HG3  LYS  20           1HG      LYS  20  15.448  -4.793   0.946
  169    HD2  LYS  20           2HD      LYS  20  16.550  -2.963  -0.415
  170    HD3  LYS  20           1HD      LYS  20  17.580  -2.538   0.942
  171    HE2  LYS  20           1HE      LYS  20  17.575  -5.303  -0.467
  172    HE3  LYS  20           2HE      LYS  20  18.667  -3.980  -0.866
  173    HZ1  LYS  20           2HZ      LYS  20  19.574  -4.066   1.355
  174    HZ3  LYS  20           1HZ      LYS  20  19.721  -5.512   0.607
  175    HN1  NH2  21           2HN      NH2  21  11.511  -4.745   0.803
  176    HN2  NH2  21           1HN      NH2  21  12.214  -3.802   2.211
  Start of MODEL    8
    1    H1   ACE   1           3HA      ACE   1 -15.558  -4.592   0.271
    2    H2   ACE   1           1HA      ACE   1 -17.028  -4.763  -0.719
    3    H3   ACE   1           2HA      ACE   1 -17.167  -4.280   0.988
    4    H    ASN   1           H        ASN   1 -15.613  -2.321   1.446
    5    HA   ASN   1           HA       ASN   1 -16.571  -0.031  -0.248
    6    HB2  ASN   1           2HB      ASN   1 -16.711   0.079   2.225
    7    HB3  ASN   1           1HB      ASN   1 -14.979  -0.073   2.381
    8   HD21  ASN   1          1HD2      ASN   1 -17.550   2.068   1.183
    9   HD22  ASN   1          2HD2      ASN   1 -16.551   3.601   1.327
   10    H    GLU   2           H        GLU   2 -15.460   0.468  -1.977
   11    HA   GLU   2           HA       GLU   2 -12.937  -0.251  -2.817
   12    HB2  GLU   2           2HB      GLU   2 -14.884   0.905  -4.151
   13    HB3  GLU   2           1HB      GLU   2 -14.230   2.436  -3.612
   14    HG2  GLU   2           2HG      GLU   2 -12.027   1.888  -4.806
   15    HG3  GLU   2           1HG      GLU   2 -12.702   0.343  -5.308
   16    HE2  GLU   2           HE2      GLU   2 -13.713   3.807  -7.115
   17    H    VAL   3           H        VAL   3 -13.470   2.634  -0.825
   18    HA   VAL   3           HA       VAL   3 -10.770   3.773  -1.198
   19    HB   VAL   3           HB       VAL   3 -12.829   4.361   1.017
   20   HG11  VAL   3          3HG2      VAL   3 -11.623   6.530   1.319
   21   HG12  VAL   3          1HG2      VAL   3 -10.557   5.156   1.662
   22   HG13  VAL   3          2HG2      VAL   3 -10.397   6.030   0.117
   23   HG21  VAL   3          1HG1      VAL   3 -12.407   5.885  -1.635
   24   HG22  VAL   3          2HG1      VAL   3 -13.843   4.932  -1.186
   25   HG23  VAL   3          3HG1      VAL   3 -13.460   6.407  -0.289
   26    H    SER   4           H        SER   4 -12.271   2.153   1.578
   27    HA   SER   4           HA       SER   4  -9.964   1.701   3.164
   28    HB2  SER   4           2HB      SER   4 -11.086  -0.092   4.349
   29    HB3  SER   4           1HB      SER   4 -12.193   1.234   4.015
   30    HG   SER   4           HG       SER   4 -11.961  -1.180   2.534
   31    H    GLU   5           H        GLU   5 -11.152  -0.803   0.897
   32    HA   GLU   5           HA       GLU   5  -8.975  -2.582   1.044
   33    HB2  GLU   5           2HB      GLU   5  -9.651  -3.649  -1.019
   34    HB3  GLU   5           1HB      GLU   5 -10.983  -3.320   0.055
   35    HG2  GLU   5           2HG      GLU   5 -11.476  -1.239  -1.472
   36    HG3  GLU   5           1HG      GLU   5 -10.276  -1.891  -2.590
   37    HE2  GLU   5           HE2      GLU   5 -13.204  -2.460  -0.970
   38    H    ARG   6           H        ARG   6  -9.177   0.030  -1.361
   39    HA   ARG   6           HA       ARG   6  -6.572  -0.617  -2.598
   40    HB2  ARG   6           2HB      ARG   6  -8.615   0.618  -3.699
   41    HB3  ARG   6           1HB      ARG   6  -8.160   2.059  -2.797
   42    HG2  ARG   6           1HG      ARG   6  -5.921   2.081  -3.971
   43    HG3  ARG   6           2HG      ARG   6  -6.377   0.657  -4.915
   44    HD2  ARG   6           2HD      ARG   6  -7.897   3.353  -4.949
   45    HD3  ARG   6           1HD      ARG   6  -6.648   2.897  -6.108
   46   HH11  ARG   6          2HH1      ARG   6  -8.856   4.273  -6.616
   47   HH12  ARG   6          1HH1      ARG   6 -10.242   4.038  -7.795
   48   HH21  ARG   6          2HH2      ARG   6 -10.042   0.602  -7.694
   49   HH22  ARG   6          1HH2      ARG   6 -10.866   2.099  -8.363
   50    H    VAL   7           H        VAL   7  -7.364   2.080  -0.259
   51    HA   VAL   7           HA       VAL   7  -4.781   3.118   0.002
   52    HB   VAL   7           HB       VAL   7  -6.948   2.861   2.148
   53   HG11  VAL   7          3HG2      VAL   7  -4.417   4.622   2.272
   54   HG12  VAL   7          1HG2      VAL   7  -5.817   4.743   3.374
   55   HG13  VAL   7          2HG2      VAL   7  -4.824   3.278   3.367
   56   HG21  VAL   7          1HG1      VAL   7  -7.537   4.273   0.093
   57   HG22  VAL   7          2HG1      VAL   7  -6.118   5.288   0.402
   58   HG23  VAL   7          3HG1      VAL   7  -7.457   5.233   1.577
   59    H    HIS   8           H        HIS   8  -6.035   0.312   1.968
   60    HA   HIS   8           HA       HIS   8  -3.827  -0.401   3.449
   61    HB2  HIS   8           1HB      HIS   8  -6.290  -1.459   3.141
   62    HB3  HIS   8           2HB      HIS   8  -5.503  -2.568   2.051
   63    HD2  HIS   8           HD2      HIS   8  -3.004  -3.564   3.259
   64    HE1  HIS   8           HE1      HIS   8  -4.900  -4.067   6.939
   65    HE2  HIS   8           HE2      HIS   8  -2.826  -4.826   5.615
   66    H    VAL   9           H        VAL   9  -4.498  -1.581   0.107
   67    HA   VAL   9           HA       VAL   9  -2.017  -3.150  -0.095
   68    HB   VAL   9           HB       VAL   9  -2.569  -3.684  -2.305
   69   HG11  VAL   9          3HG2      VAL   9  -4.748  -4.794  -2.118
   70   HG12  VAL   9          1HG2      VAL   9  -5.211  -3.738  -0.769
   71   HG13  VAL   9          2HG2      VAL   9  -3.872  -4.891  -0.573
   72   HG21  VAL   9          1HG1      VAL   9  -4.446  -2.879  -3.677
   73   HG22  VAL   9          2HG1      VAL   9  -3.349  -1.537  -3.326
   74   HG23  VAL   9          3HG1      VAL   9  -4.880  -1.689  -2.428
   75    H    TYR  10           H        TYR  10  -2.760   0.201  -0.967
   76    HA   TYR  10           HA       TYR  10  -0.312   0.628  -2.591
   77    HB2  TYR  10           1HB      TYR  10  -2.538   2.038  -2.699
   78    HB3  TYR  10           2HB      TYR  10  -2.045   2.781  -1.187
   79    HD1  TYR  10           HD2      TYR  10  -1.195   2.414  -4.817
   80    HD2  TYR  10           HD1      TYR  10  -0.211   4.469  -1.165
   81    HE1  TYR  10           HE2      TYR  10   0.151   4.035  -6.081
   82    HE2  TYR  10           HE1      TYR  10   1.136   6.078  -2.441
   83    HH   TYR  10           HH       TYR  10   1.448   5.835  -5.985
   84    H    HIS  11           H        HIS  11  -1.083   1.159   0.884
   85    HA   HIS  11           HA       HIS  11   1.475   2.505   1.528
   86    HB2  HIS  11           1HB      HIS  11  -0.786   1.286   3.224
   87    HB3  HIS  11           2HB      HIS  11   0.715   1.693   3.992
   88    HD2  HIS  11           HD2      HIS  11  -1.689   3.685   1.506
   89    HE1  HIS  11           HE1      HIS  11  -0.623   6.234   4.610
   90    HE2  HIS  11           HE2      HIS  11  -2.047   6.121   2.473
   91    H    ILE  12           H        ILE  12   0.484  -0.932   1.658
   92    HA   ILE  12           HA       ILE  12   2.954  -1.901   2.952
   93    HB   ILE  12           HB       ILE  12   0.909  -3.393   1.210
   94   HG12  ILE  12          2HG1      ILE  12   1.338  -3.490   4.272
   95   HG13  ILE  12          1HG1      ILE  12   0.128  -2.473   3.487
   96   HG21  ILE  12          1HG2      ILE  12   3.079  -4.640   1.093
   97   HG22  ILE  12          2HG2      ILE  12   1.902  -5.546   2.035
   98   HG23  ILE  12          3HG2      ILE  12   3.196  -4.649   2.871
   99   HD11  ILE  12          3HD1      ILE  12   0.126  -5.553   3.422
  100   HD12  ILE  12          1HD1      ILE  12  -1.023  -4.513   2.536
  101   HD13  ILE  12          2HD1      ILE  12  -0.967  -4.485   4.317
  102    H    LEU  13           H        LEU  13   2.015  -1.651  -0.523
  103    HA   LEU  13           HA       LEU  13   4.595  -2.511  -1.609
  104    HB2  LEU  13           2HB      LEU  13   2.356  -0.761  -2.825
  105    HB3  LEU  13           1HB      LEU  13   3.723  -1.277  -3.777
  106    HG   LEU  13           HG       LEU  13   1.773  -3.244  -2.420
  107   HD11  LEU  13          1HD1      LEU  13   0.728  -3.534  -4.654
  108   HD12  LEU  13          2HD1      LEU  13   0.588  -1.849  -4.126
  109   HD13  LEU  13          3HD1      LEU  13   1.798  -2.292  -5.356
  110   HD21  LEU  13          3HD2      LEU  13   2.750  -4.950  -3.985
  111   HD22  LEU  13          1HD2      LEU  13   3.917  -3.750  -4.595
  112   HD23  LEU  13          2HD2      LEU  13   3.995  -4.303  -2.904
  113    H    LYS  14           H        LYS  14   3.361   0.875  -1.042
  114    HA   LYS  14           HA       LYS  14   5.598   2.309  -1.924
  115    HB2  LYS  14           2HB      LYS  14   3.399   3.208  -1.291
  116    HB3  LYS  14           1HB      LYS  14   3.744   3.038   0.414
  117    HG2  LYS  14           1HG      LYS  14   5.531   4.751  -1.439
  118    HG3  LYS  14           2HG      LYS  14   3.979   5.350  -0.878
  119    HD2  LYS  14           1HD      LYS  14   4.663   5.118   1.512
  120    HD3  LYS  14           2HD      LYS  14   6.231   4.474   1.032
  121    HE2  LYS  14           1HE      LYS  14   6.759   6.639  -0.191
  122    HE3  LYS  14           2HE      LYS  14   5.192   7.296   0.307
  123    HZ1  LYS  14           2HZ      LYS  14   7.370   6.428   2.127
  124    HZ3  LYS  14           1HZ      LYS  14   6.980   7.974   1.766
  125    H    HIS  15           H        HIS  15   5.223   1.034   1.367
  126    HA   HIS  15           HA       HIS  15   7.743   2.128   2.476
  127    HB2  HIS  15           2HB      HIS  15   5.774   1.592   3.909
  128    HB3  HIS  15           1HB      HIS  15   5.933  -0.116   3.540
  129    HD2  HIS  15           HD2      HIS  15   7.988  -1.468   4.722
  130    HE1  HIS  15           HE1      HIS  15   9.121   1.536   7.375
  131    HE2  HIS  15           HE2      HIS  15   9.457  -0.967   6.885
  132    H    ILE  16           H        ILE  16   6.911  -1.078   1.201
  133    HA   ILE  16           HA       ILE  16   9.567  -2.288   1.676
  134    HB   ILE  16           HB       ILE  16   7.414  -3.258  -0.283
  135   HG12  ILE  16          2HG1      ILE  16   8.060  -4.372   2.540
  136   HG13  ILE  16          1HG1      ILE  16   6.795  -3.171   2.302
  137   HG21  ILE  16          1HG2      ILE  16   8.594  -5.488  -0.174
  138   HG22  ILE  16          2HG2      ILE  16   9.634  -4.245  -0.866
  139   HG23  ILE  16          3HG2      ILE  16   9.881  -4.760   0.818
  140   HD11  ILE  16          3HD1      ILE  16   5.735  -5.353   2.381
  141   HD12  ILE  16          1HD1      ILE  16   5.566  -4.733   0.722
  142   HD13  ILE  16          2HD1      ILE  16   6.764  -6.002   1.089
  143    H    LYS  17           H        LYS  17   8.161  -0.769  -1.281
  144    HA   LYS  17           HA       LYS  17  10.464  -1.168  -2.991
  145    HB2  LYS  17           1HB      LYS  17   8.196  -0.621  -3.834
  146    HB3  LYS  17           2HB      LYS  17   8.236   0.963  -3.089
  147    HG2  LYS  17           2HG      LYS  17   8.522   1.121  -5.496
  148    HG3  LYS  17           1HG      LYS  17   9.934   1.774  -4.696
  149    HD2  LYS  17           2HD      LYS  17  11.173  -0.438  -5.174
  150    HD3  LYS  17           1HD      LYS  17   9.720  -1.048  -5.948
  151    HE2  LYS  17           2HE      LYS  17  11.174  -0.337  -7.721
  152    HE3  LYS  17           1HE      LYS  17   9.860   0.835  -7.676
  153    HZ1  LYS  17           2HZ      LYS  17  11.975   1.916  -7.897
  154    HZ3  LYS  17           1HZ      LYS  17  11.318   2.342  -6.462
  155    H    ASP  18           H        ASP  18   9.662   1.777  -1.022
  156    HA   ASP  18           HA       ASP  18  12.132   3.179  -1.774
  157    HB2  ASP  18           2HB      ASP  18  11.617   4.868  -0.114
  158    HB3  ASP  18           1HB      ASP  18  10.261   4.500  -1.141
  159    HD2  ASP  18           HD2      ASP  18   8.285   4.620   1.613
  160    H    GLY  19           H        GLY  19  11.526   0.984   0.957
  161    HA2  GLY  19           2HA      GLY  19  14.113   1.581   2.342
  162    HA3  GLY  19           1HA      GLY  19  13.000   0.286   2.736
  163    H    LYS  20           H        LYS  20  12.949  -1.585   1.195
  164    HA   LYS  20           HA       LYS  20  15.740  -2.470   0.532
  165    HB2  LYS  20           1HB      LYS  20  13.031  -3.945   0.418
  166    HB3  LYS  20           2HB      LYS  20  14.524  -4.702  -0.134
  167    HG2  LYS  20           1HG      LYS  20  15.556  -4.348   2.150
  168    HG3  LYS  20           2HG      LYS  20  14.047  -3.670   2.741
  169    HD2  LYS  20           1HD      LYS  20  14.393  -6.533   1.630
  170    HD3  LYS  20           2HD      LYS  20  14.446  -6.093   3.332
  171    HE2  LYS  20           1HE      LYS  20  12.041  -5.255   3.205
  172    HE3  LYS  20           2HE      LYS  20  11.971  -5.746   1.506
  173    HZ1  LYS  20           2HZ      LYS  20  12.396  -8.015   2.173
  174    HZ3  LYS  20           1HZ      LYS  20  11.059  -7.431   2.911
  175    HN1  NH2  21           2HN      NH2  21  13.685  -2.204  -3.081
  176    HN2  NH2  21           1HN      NH2  21  12.742  -2.647  -1.571
  Start of MODEL    9
    1    H1   ACE   1           3HA      ACE   1 -17.683  -1.805  -1.207
    2    H2   ACE   1           1HA      ACE   1 -16.047  -1.938  -1.925
    3    H3   ACE   1           2HA      ACE   1 -17.084  -3.383  -1.791
    4    H    ASN   1           H        ASN   1 -15.354  -2.130   1.787
    5    HA   ASN   1           HA       ASN   1 -16.566  -0.059  -0.029
    6    HB2  ASN   1           1HB      ASN   1 -14.874   0.267   2.521
    7    HB3  ASN   1           2HB      ASN   1 -15.467   1.608   1.575
    8   HD21  ASN   1          1HD2      ASN   1 -17.769   2.006   1.506
    9   HD22  ASN   1          2HD2      ASN   1 -18.847   1.328   2.827
   10    H    GLU   2           H        GLU   2 -15.544   0.816  -1.700
   11    HA   GLU   2           HA       GLU   2 -13.094   0.170  -2.739
   12    HB2  GLU   2           2HB      GLU   2 -14.776   2.714  -3.122
   13    HB3  GLU   2           1HB      GLU   2 -13.397   2.397  -4.123
   14    HG2  GLU   2           1HG      GLU   2 -15.874   0.561  -3.918
   15    HG3  GLU   2           2HG      GLU   2 -15.563   1.720  -5.191
   16    HE2  GLU   2           HE2      GLU   2 -13.738   1.456  -6.412
   17    H    VAL   3           H        VAL   3 -13.492   2.875  -0.480
   18    HA   VAL   3           HA       VAL   3 -10.796   4.015  -0.916
   19    HB   VAL   3           HB       VAL   3 -12.743   4.452   1.431
   20   HG11  VAL   3          1HG1      VAL   3 -10.434   5.148   2.055
   21   HG12  VAL   3          2HG1      VAL   3 -11.480   6.566   1.865
   22   HG13  VAL   3          3HG1      VAL   3 -10.308   6.145   0.582
   23   HG21  VAL   3          3HG2      VAL   3 -13.817   5.222  -0.687
   24   HG22  VAL   3          1HG2      VAL   3 -13.381   6.606   0.324
   25   HG23  VAL   3          2HG2      VAL   3 -12.380   6.193  -1.096
   26    H    SER   4           H        SER   4 -12.184   2.219   1.812
   27    HA   SER   4           HA       SER   4  -9.821   1.594   3.241
   28    HB2  SER   4           2HB      SER   4 -10.932  -0.270   4.332
   29    HB3  SER   4           1HB      SER   4 -12.019   1.101   4.159
   30    HG   SER   4           HG       SER   4 -12.989  -0.864   3.619
   31    H    GLU   5           H        GLU   5 -11.153  -0.693   0.819
   32    HA   GLU   5           HA       GLU   5  -9.018  -2.518   0.733
   33    HB2  GLU   5           2HB      GLU   5  -9.760  -3.376  -1.399
   34    HB3  GLU   5           1HB      GLU   5 -11.069  -3.108  -0.283
   35    HG2  GLU   5           2HG      GLU   5 -11.498  -0.875  -1.603
   36    HG3  GLU   5           1HG      GLU   5 -10.353  -1.472  -2.805
   37    HE2  GLU   5           HE2      GLU   5 -10.873  -3.091  -4.005
   38    H    ARG   6           H        ARG   6  -9.183   0.345  -1.383
   39    HA   ARG   6           HA       ARG   6  -6.602  -0.233  -2.707
   40    HB2  ARG   6           1HB      ARG   6  -8.581   1.217  -3.657
   41    HB3  ARG   6           2HB      ARG   6  -8.085   2.503  -2.560
   42    HG2  ARG   6           2HG      ARG   6  -5.805   2.560  -3.710
   43    HG3  ARG   6           1HG      ARG   6  -6.363   1.313  -4.843
   44    HD2  ARG   6           2HD      ARG   6  -8.221   2.854  -5.625
   45    HD3  ARG   6           1HD      ARG   6  -7.660   4.103  -4.499
   46   HH11  ARG   6          2HH2      ARG   6  -8.488   5.035  -6.508
   47   HH12  ARG   6          1HH2      ARG   6  -7.812   6.001  -7.914
   48   HH21  ARG   6          1HH1      ARG   6  -4.727   4.477  -7.769
   49   HH22  ARG   6          2HH1      ARG   6  -5.825   5.704  -8.578
   50    H    VAL   7           H        VAL   7  -7.307   2.154  -0.038
   51    HA   VAL   7           HA       VAL   7  -4.705   3.102   0.349
   52    HB   VAL   7           HB       VAL   7  -6.881   2.584   2.439
   53   HG11  VAL   7          1HG1      VAL   7  -5.727   4.241   3.931
   54   HG12  VAL   7          2HG1      VAL   7  -4.318   4.257   2.833
   55   HG13  VAL   7          3HG1      VAL   7  -4.760   2.775   3.717
   56   HG21  VAL   7          3HG2      VAL   7  -7.339   5.022   2.215
   57   HG22  VAL   7          1HG2      VAL   7  -7.425   4.289   0.607
   58   HG23  VAL   7          2HG2      VAL   7  -5.990   5.220   1.068
   59    H    HIS   8           H        HIS   8  -5.990   0.087   1.946
   60    HA   HIS   8           HA       HIS   8  -3.772  -0.855   3.276
   61    HB2  HIS   8           1HB      HIS   8  -6.266  -1.813   2.890
   62    HB3  HIS   8           2HB      HIS   8  -5.521  -2.799   1.660
   63    HD2  HIS   8           HD2      HIS   8  -3.003  -3.955   2.708
   64    HE1  HIS   8           HE1      HIS   8  -4.868  -4.887   6.319
   65    HE2  HIS   8           HE2      HIS   8  -2.812  -5.492   4.892
   66    H    VAL   9           H        VAL   9  -4.535  -1.596  -0.172
   67    HA   VAL   9           HA       VAL   9  -2.103  -3.188  -0.613
   68    HB   VAL   9           HB       VAL   9  -2.698  -3.430  -2.861
   69   HG11  VAL   9          3HG2      VAL   9  -4.019  -4.801  -1.270
   70   HG12  VAL   9          1HG2      VAL   9  -5.324  -3.594  -1.303
   71   HG13  VAL   9          2HG2      VAL   9  -4.909  -4.490  -2.779
   72   HG21  VAL   9          1HG1      VAL   9  -4.569  -2.401  -4.091
   73   HG22  VAL   9          2HG1      VAL   9  -3.421  -1.150  -3.596
   74   HG23  VAL   9          3HG1      VAL   9  -4.942  -1.361  -2.696
   75    H    TYR  10           H        TYR  10  -2.754   0.266  -1.035
   76    HA   TYR  10           HA       TYR  10  -0.327   0.831  -2.648
   77    HB2  TYR  10           2HB      TYR  10  -2.499   2.319  -2.508
   78    HB3  TYR  10           1HB      TYR  10  -1.953   2.828  -0.920
   79    HD1  TYR  10           HD2      TYR  10  -1.191   2.947  -4.584
   80    HD2  TYR  10           HD1      TYR  10  -0.047   4.424  -0.706
   81    HE1  TYR  10           HE2      TYR  10   0.194   4.679  -5.643
   82    HE2  TYR  10           HE1      TYR  10   1.339   6.145  -1.778
   83    HH   TYR  10           HH       TYR  10   2.051   7.016  -3.692
   84    H    HIS  11           H        HIS  11  -1.021   0.969   0.886
   85    HA   HIS  11           HA       HIS  11   1.615   2.070   1.633
   86    HB2  HIS  11           2HB      HIS  11  -0.684   0.776   3.214
   87    HB3  HIS  11           1HB      HIS  11   0.855   0.978   3.993
   88    HD2  HIS  11           HD2      HIS  11  -1.636   3.333   1.985
   89    HE1  HIS  11           HE1      HIS  11   0.031   5.563   5.073
   90    HE2  HIS  11           HE2      HIS  11  -1.692   5.702   3.168
   91    H    ILE  12           H        ILE  12   0.490  -1.311   1.310
   92    HA   ILE  12           HA       ILE  12   2.928  -2.531   2.447
   93    HB   ILE  12           HB       ILE  12   0.853  -3.722   0.519
   94   HG12  ILE  12          2HG1      ILE  12   1.243  -4.237   3.544
   95   HG13  ILE  12          1HG1      ILE  12   0.070  -3.088   2.895
   96   HG21  ILE  12          1HG2      ILE  12   1.794  -5.987   1.062
   97   HG22  ILE  12          2HG2      ILE  12   3.089  -5.236   2.030
   98   HG23  ILE  12          3HG2      ILE  12   3.007  -4.991   0.268
   99   HD11  ILE  12          3HD1      ILE  12  -0.013  -6.129   2.393
  100   HD12  ILE  12          1HD1      ILE  12  -1.076  -5.177   3.441
  101   HD13  ILE  12          2HD1      ILE  12  -1.134  -4.939   1.676
  102    H    LEU  13           H        LEU  13   1.984  -1.770  -0.953
  103    HA   LEU  13           HA       LEU  13   4.529  -2.564  -2.163
  104    HB2  LEU  13           1HB      LEU  13   2.362  -0.587  -3.138
  105    HB3  LEU  13           2HB      LEU  13   3.713  -1.036  -4.151
  106    HG   LEU  13           HG       LEU  13   1.675  -3.074  -3.060
  107   HD11  LEU  13          1HD1      LEU  13   1.777  -1.741  -5.841
  108   HD12  LEU  13          2HD1      LEU  13   0.666  -3.041  -5.342
  109   HD13  LEU  13          3HD1      LEU  13   0.556  -1.444  -4.580
  110   HD21  LEU  13          3HD2      LEU  13   3.819  -3.394  -5.270
  111   HD22  LEU  13          1HD2      LEU  13   2.601  -4.611  -4.815
  112   HD23  LEU  13          2HD2      LEU  13   3.862  -4.152  -3.659
  113    H    LYS  14           H        LYS  14   3.400   0.786  -1.195
  114    HA   LYS  14           HA       LYS  14   5.719   2.208  -1.846
  115    HB2  LYS  14           1HB      LYS  14   3.491   3.080  -1.065
  116    HB3  LYS  14           2HB      LYS  14   3.965   2.819   0.597
  117    HG2  LYS  14           2HG      LYS  14   5.535   4.603  -1.395
  118    HG3  LYS  14           1HG      LYS  14   4.151   5.180  -0.485
  119    HD2  LYS  14           2HD      LYS  14   5.321   4.712   1.692
  120    HD3  LYS  14           1HD      LYS  14   6.748   4.153   0.818
  121    HE2  LYS  14           2HE      LYS  14   6.996   6.422  -0.279
  122    HE3  LYS  14           1HE      LYS  14   5.579   7.004   0.609
  123    HZ1  LYS  14           2HZ      LYS  14   7.647   7.575   1.698
  124    HZ3  LYS  14           1HZ      LYS  14   8.101   6.009   1.818
  125    H    HIS  15           H        HIS  15   5.217   0.490   1.211
  126    HA   HIS  15           HA       HIS  15   7.694   1.364   2.574
  127    HB2  HIS  15           1HB      HIS  15   5.686   0.573   3.821
  128    HB3  HIS  15           2HB      HIS  15   5.865  -1.039   3.148
  129    HD2  HIS  15           HD2      HIS  15   7.901  -2.585   4.123
  130    HE1  HIS  15           HE1      HIS  15   8.864  -0.151   7.362
  131    HE2  HIS  15           HE2      HIS  15   9.260  -2.508   6.411
  132    H    ILE  16           H        ILE  16   6.983  -1.457   0.558
  133    HA   ILE  16           HA       ILE  16   9.586  -2.798   1.028
  134    HB   ILE  16           HB       ILE  16   7.599  -3.355  -1.241
  135   HG12  ILE  16          1HG1      ILE  16   8.008  -4.985   1.362
  136   HG13  ILE  16          2HG1      ILE  16   6.773  -3.737   1.259
  137   HG21  ILE  16          1HG2      ILE  16   9.981  -5.056  -0.236
  138   HG22  ILE  16          2HG2      ILE  16   8.781  -5.575  -1.447
  139   HG23  ILE  16          3HG2      ILE  16   9.869  -4.235  -1.809
  140   HD11  ILE  16          3HD1      ILE  16   6.813  -6.264  -0.494
  141   HD12  ILE  16          1HD1      ILE  16   5.705  -5.875   0.838
  142   HD13  ILE  16          2HD1      ILE  16   5.648  -4.923  -0.662
  143    H    LYS  17           H        LYS  17   8.401  -0.862  -1.826
  144    HA   LYS  17           HA       LYS  17  11.037  -0.885  -3.135
  145    HB2  LYS  17           2HB      LYS  17  10.157   0.587  -4.802
  146    HB3  LYS  17           1HB      LYS  17   9.017  -0.689  -4.453
  147    HG2  LYS  17           1HG      LYS  17   7.696   1.022  -2.998
  148    HG3  LYS  17           2HG      LYS  17   8.790   2.265  -3.586
  149    HD2  LYS  17           1HD      LYS  17   8.119   1.783  -5.957
  150    HD3  LYS  17           2HD      LYS  17   7.067   0.471  -5.416
  151    HE2  LYS  17           1HE      LYS  17   5.635   2.099  -4.131
  152    HE3  LYS  17           2HE      LYS  17   6.698   3.436  -4.600
  153    HZ1  LYS  17           2HZ      LYS  17   6.157   2.952  -6.923
  154    HZ3  LYS  17           1HZ      LYS  17   5.178   1.719  -6.486
  155    H    ASP  18           H        ASP  18   9.538   1.589  -1.030
  156    HA   ASP  18           HA       ASP  18  11.705   3.559  -1.385
  157    HB2  ASP  18           2HB      ASP  18   9.320   4.101  -0.698
  158    HB3  ASP  18           1HB      ASP  18   9.619   3.401   0.881
  159    HD2  ASP  18           HD2      ASP  18  10.854   4.425   2.235
  160    H    GLY  19           H        GLY  19  11.024   1.252   1.316
  161    HA2  GLY  19           2HA      GLY  19  13.447   1.904   2.873
  162    HA3  GLY  19           1HA      GLY  19  12.415   0.511   3.116
  163    H    LYS  20           H        LYS  20  12.648  -1.224   1.299
  164    HA   LYS  20           HA       LYS  20  15.538  -2.004   1.194
  165    HB2  LYS  20           1HB      LYS  20  12.978  -3.476   0.292
  166    HB3  LYS  20           2HB      LYS  20  14.582  -4.145   0.008
  167    HG2  LYS  20           1HG      LYS  20  15.058  -4.133   2.491
  168    HG3  LYS  20           2HG      LYS  20  13.483  -3.419   2.793
  169    HD2  LYS  20           2HD      LYS  20  13.241  -5.725   3.276
  170    HD3  LYS  20           1HD      LYS  20  12.350  -5.450   1.785
  171    HE2  LYS  20           2HE      LYS  20  14.299  -6.436   0.455
  172    HE3  LYS  20           1HE      LYS  20  15.201  -6.670   1.959
  173    HZ1  LYS  20           2HZ      LYS  20  13.468  -8.157   2.722
  174    HZ3  LYS  20           1HZ      LYS  20  14.095  -8.673   1.303
  175    HN1  NH2  21           2HN      NH2  21  14.384  -1.320  -2.749
  176    HN2  NH2  21           1HN      NH2  21  13.118  -1.910  -1.560
  Start of MODEL   10
    1    H1   ACE   1           3HA      ACE   1 -17.701  -1.956  -1.194
    2    H2   ACE   1           1HA      ACE   1 -16.119  -2.039  -2.032
    3    H3   ACE   1           2HA      ACE   1 -17.154  -3.489  -1.929
    4    H    ASN   1           H        ASN   1 -15.176  -2.496   1.601
    5    HA   ASN   1           HA       ASN   1 -16.490  -0.298  -0.004
    6    HB2  ASN   1           1HB      ASN   1 -14.736  -0.165   2.524
    7    HB3  ASN   1           2HB      ASN   1 -15.368   1.242   1.705
    8   HD21  ASN   1          1HD2      ASN   1 -17.671   1.623   1.729
    9   HD22  ASN   1          2HD2      ASN   1 -18.711   0.829   3.016
   10    H    GLU   2           H        GLU   2 -15.513   0.491  -1.715
   11    HA   GLU   2           HA       GLU   2 -13.020  -0.017  -2.755
   12    HB2  GLU   2           1HB      GLU   2 -15.134   1.236  -3.769
   13    HB3  GLU   2           2HB      GLU   2 -14.333   2.714  -3.297
   14    HG2  GLU   2           2HG      GLU   2 -13.168   0.549  -5.185
   15    HG3  GLU   2           1HG      GLU   2 -14.055   1.961  -5.715
   16    HE2  GLU   2           HE2      GLU   2 -10.175   2.186  -5.244
   17    H    VAL   3           H        VAL   3 -13.549   2.716  -0.544
   18    HA   VAL   3           HA       VAL   3 -10.871   3.911  -0.908
   19    HB   VAL   3           HB       VAL   3 -12.890   4.324   1.382
   20   HG11  VAL   3          3HG2      VAL   3 -11.695   6.477   1.821
   21   HG12  VAL   3          1HG2      VAL   3 -10.617   5.090   2.055
   22   HG13  VAL   3          2HG2      VAL   3 -10.479   6.071   0.574
   23   HG21  VAL   3          1HG1      VAL   3 -13.555   6.449   0.235
   24   HG22  VAL   3          2HG1      VAL   3 -13.930   5.044  -0.769
   25   HG23  VAL   3          3HG1      VAL   3 -12.509   6.046  -1.156
   26    H    SER   4           H        SER   4 -12.283   2.105   1.795
   27    HA   SER   4           HA       SER   4  -9.960   1.554   3.315
   28    HB2  SER   4           1HB      SER   4 -12.282   1.000   4.026
   29    HB3  SER   4           2HB      SER   4 -12.293  -0.415   2.967
   30    HG   SER   4           HG       SER   4 -10.466  -1.172   4.131
   31    H    GLU   5           H        GLU   5 -11.173  -0.793   0.889
   32    HA   GLU   5           HA       GLU   5  -8.984  -2.566   0.875
   33    HB2  GLU   5           2HB      GLU   5  -9.690  -3.516  -1.220
   34    HB3  GLU   5           1HB      GLU   5 -11.018  -3.238  -0.131
   35    HG2  GLU   5           2HG      GLU   5 -11.464  -1.064  -1.569
   36    HG3  GLU   5           1HG      GLU   5 -10.305  -1.718  -2.725
   37    HE2  GLU   5           HE2      GLU   5 -12.392  -4.176  -3.955
   38    H    ARG   6           H        ARG   6  -9.244   0.194  -1.351
   39    HA   ARG   6           HA       ARG   6  -6.663  -0.341  -2.672
   40    HB2  ARG   6           1HB      ARG   6  -8.718   0.972  -3.652
   41    HB3  ARG   6           2HB      ARG   6  -8.260   2.336  -2.636
   42    HG2  ARG   6           2HG      ARG   6  -6.033   2.474  -3.838
   43    HG3  ARG   6           1HG      ARG   6  -6.510   1.117  -4.878
   44    HD2  ARG   6           1HD      ARG   6  -8.487   2.450  -5.729
   45    HD3  ARG   6           2HD      ARG   6  -8.031   3.809  -4.688
   46   HH11  ARG   6          2HH2      ARG   6  -8.981   4.477  -6.775
   47   HH12  ARG   6          1HH2      ARG   6  -8.418   5.399  -8.258
   48   HH21  ARG   6          2HH1      ARG   6  -5.179   4.250  -8.018
   49   HH22  ARG   6          1HH1      ARG   6  -6.409   5.277  -8.912
   50    H    VAL   7           H        VAL   7  -7.411   2.169  -0.120
   51    HA   VAL   7           HA       VAL   7  -4.825   3.198   0.167
   52    HB   VAL   7           HB       VAL   7  -6.956   2.766   2.322
   53   HG11  VAL   7          1HG1      VAL   7  -4.428   4.522   2.558
   54   HG12  VAL   7          2HG1      VAL   7  -4.819   3.093   3.546
   55   HG13  VAL   7          3HG1      VAL   7  -5.819   4.547   3.678
   56   HG21  VAL   7          3HG2      VAL   7  -6.156   5.325   0.762
   57   HG22  VAL   7          1HG2      VAL   7  -7.577   4.333   0.394
   58   HG23  VAL   7          2HG2      VAL   7  -7.478   5.174   1.947
   59    H    HIS   8           H        HIS   8  -6.030   0.250   1.943
   60    HA   HIS   8           HA       HIS   8  -3.789  -0.563   3.318
   61    HB2  HIS   8           2HB      HIS   8  -6.259  -1.601   2.987
   62    HB3  HIS   8           1HB      HIS   8  -5.490  -2.633   1.811
   63    HD2  HIS   8           HD2      HIS   8  -2.979  -3.704   2.888
   64    HE1  HIS   8           HE1      HIS   8  -4.763  -4.427   6.587
   65    HE2  HIS   8           HE2      HIS   8  -2.730  -5.105   5.159
   66    H    VAL   9           H        VAL   9  -4.530  -1.513  -0.086
   67    HA   VAL   9           HA       VAL   9  -2.042  -3.047  -0.445
   68    HB   VAL   9           HB       VAL   9  -2.646  -3.442  -2.670
   69   HG11  VAL   9          1HG1      VAL   9  -5.269  -3.577  -1.107
   70   HG12  VAL   9          2HG1      VAL   9  -3.937  -4.750  -0.999
   71   HG13  VAL   9          3HG1      VAL   9  -4.827  -4.548  -2.526
   72   HG21  VAL   9          3HG2      VAL   9  -3.400  -1.265  -3.573
   73   HG22  VAL   9          1HG2      VAL   9  -4.876  -1.374  -2.588
   74   HG23  VAL   9          2HG2      VAL   9  -4.600  -2.522  -3.917
   75    H    TYR  10           H        TYR  10  -2.816   0.346  -1.028
   76    HA   TYR  10           HA       TYR  10  -0.444   0.955  -2.698
   77    HB2  TYR  10           2HB      TYR  10  -2.697   2.326  -2.529
   78    HB3  TYR  10           1HB      TYR  10  -2.118   2.928  -0.986
   79    HD1  TYR  10           HD1      TYR  10  -1.408   2.849  -4.679
   80    HD2  TYR  10           HD2      TYR  10  -0.460   4.745  -0.933
   81    HE1  TYR  10           HE1      TYR  10  -0.281   4.674  -5.879
   82    HE2  TYR  10           HE2      TYR  10   0.656   6.566  -2.145
   83    HH   TYR  10           HH       TYR  10   1.217   7.394  -4.128
   84    H    HIS  11           H        HIS  11  -1.078   1.167   0.834
   85    HA   HIS  11           HA       HIS  11   1.528   2.397   1.512
   86    HB2  HIS  11           2HB      HIS  11  -0.725   1.101   3.162
   87    HB3  HIS  11           1HB      HIS  11   0.807   1.398   3.922
   88    HD2  HIS  11           HD2      HIS  11  -1.768   3.563   1.805
   89    HE1  HIS  11           HE1      HIS  11  -0.218   5.986   4.807
   90    HE2  HIS  11           HE2      HIS  11  -1.930   5.975   2.888
   91    H    ILE  12           H        ILE  12   0.462  -1.019   1.349
   92    HA   ILE  12           HA       ILE  12   2.921  -2.160   2.513
   93    HB   ILE  12           HB       ILE  12   0.851  -3.437   0.635
   94   HG12  ILE  12          2HG1      ILE  12   1.289  -3.857   3.670
   95   HG13  ILE  12          1HG1      ILE  12   0.087  -2.751   3.001
   96   HG21  ILE  12          1HG2      ILE  12   1.824  -5.678   1.231
   97   HG22  ILE  12          2HG2      ILE  12   3.009  -4.691   0.387
   98   HG23  ILE  12          3HG2      ILE  12   3.126  -4.884   2.153
   99   HD11  ILE  12          3HD1      ILE  12  -1.096  -4.667   1.856
  100   HD12  ILE  12          1HD1      ILE  12   0.054  -5.808   2.605
  101   HD13  ILE  12          2HD1      ILE  12  -1.016  -4.840   3.628
  102    H    LEU  13           H        LEU  13   1.976  -1.498  -0.905
  103    HA   LEU  13           HA       LEU  13   4.506  -2.325  -2.105
  104    HB2  LEU  13           2HB      LEU  13   2.390  -0.312  -3.108
  105    HB3  LEU  13           1HB      LEU  13   3.722  -0.820  -4.118
  106    HG   LEU  13           HG       LEU  13   1.640  -2.785  -2.973
  107   HD11  LEU  13          1HD1      LEU  13   0.569  -2.747  -5.212
  108   HD12  LEU  13          2HD1      LEU  13   0.542  -1.129  -4.490
  109   HD13  LEU  13          3HD1      LEU  13   1.713  -1.503  -5.779
  110   HD21  LEU  13          3HD2      LEU  13   2.491  -4.360  -4.734
  111   HD22  LEU  13          1HD2      LEU  13   3.781  -3.929  -3.600
  112   HD23  LEU  13          2HD2      LEU  13   3.736  -3.181  -5.215
  113    H    LYS  14           H        LYS  14   3.429   1.073  -1.218
  114    HA   LYS  14           HA       LYS  14   5.817   2.417  -1.825
  115    HB2  LYS  14           2HB      LYS  14   3.749   2.969   0.353
  116    HB3  LYS  14           1HB      LYS  14   5.107   4.040   0.140
  117    HG2  LYS  14           2HG      LYS  14   3.169   3.380  -2.160
  118    HG3  LYS  14           1HG      LYS  14   2.948   4.713  -1.036
  119    HD2  LYS  14           2HD      LYS  14   5.146   5.724  -1.716
  120    HD3  LYS  14           1HD      LYS  14   5.440   4.389  -2.828
  121    HE2  LYS  14           1HE      LYS  14   3.329   5.027  -4.125
  122    HE3  LYS  14           2HE      LYS  14   3.109   6.405  -3.034
  123    HZ1  LYS  14           2HZ      LYS  14   4.250   7.011  -5.061
  124    HZ3  LYS  14           1HZ      LYS  14   5.454   5.940  -4.789
  125    H    HIS  15           H        HIS  15   5.240   0.682   1.200
  126    HA   HIS  15           HA       HIS  15   7.708   1.584   2.588
  127    HB2  HIS  15           1HB      HIS  15   5.657   0.868   3.823
  128    HB3  HIS  15           2HB      HIS  15   5.835  -0.771   3.217
  129    HD2  HIS  15           HD2      HIS  15   7.805  -2.304   4.307
  130    HE1  HIS  15           HE1      HIS  15   8.843   0.289   7.395
  131    HE2  HIS  15           HE2      HIS  15   9.174  -2.129   6.582
  132    H    ILE  16           H        ILE  16   6.918  -1.326   0.715
  133    HA   ILE  16           HA       ILE  16   9.499  -2.683   1.212
  134    HB   ILE  16           HB       ILE  16   7.477  -3.318  -1.004
  135   HG12  ILE  16          1HG1      ILE  16   7.874  -4.806   1.686
  136   HG13  ILE  16          2HG1      ILE  16   6.661  -3.544   1.517
  137   HG21  ILE  16          1HG2      ILE  16   9.827  -5.022   0.071
  138   HG22  ILE  16          2HG2      ILE  16   9.719  -4.286  -1.544
  139   HG23  ILE  16          3HG2      ILE  16   8.603  -5.576  -1.099
  140   HD11  ILE  16          3HD1      ILE  16   6.647  -6.175  -0.080
  141   HD12  ILE  16          1HD1      ILE  16   5.506  -4.825  -0.328
  142   HD13  ILE  16          2HD1      ILE  16   5.553  -5.684   1.229
  143    H    LYS  17           H        LYS  17   8.334  -0.876  -1.736
  144    HA   LYS  17           HA       LYS  17  10.919  -1.088  -3.094
  145    HB2  LYS  17           2HB      LYS  17  10.102   0.354  -4.799
  146    HB3  LYS  17           1HB      LYS  17   8.861  -0.788  -4.349
  147    HG2  LYS  17           2HG      LYS  17   7.761   1.122  -2.948
  148    HG3  LYS  17           1HG      LYS  17   8.945   2.216  -3.646
  149    HD2  LYS  17           1HD      LYS  17   8.150   1.667  -5.962
  150    HD3  LYS  17           2HD      LYS  17   6.998   0.493  -5.315
  151    HE2  LYS  17           2HE      LYS  17   5.765   2.314  -4.096
  152    HE3  LYS  17           1HE      LYS  17   6.934   3.519  -4.662
  153    HZ1  LYS  17           2HZ      LYS  17   4.986   3.505  -6.028
  154    HZ3  LYS  17           1HZ      LYS  17   6.270   3.037  -6.925
  155    H    ASP  18           H        ASP  18   9.702   1.523  -0.981
  156    HA   ASP  18           HA       ASP  18  11.991   3.322  -1.507
  157    HB2  ASP  18           2HB      ASP  18   9.696   4.086  -0.739
  158    HB3  ASP  18           1HB      ASP  18  10.004   3.397   0.844
  159    HD2  ASP  18           HD2      ASP  18  11.731   6.853  -0.391
  160    H    GLY  19           H        GLY  19  11.246   1.175   1.313
  161    HA2  GLY  19           1HA      GLY  19  13.790   1.668   2.727
  162    HA3  GLY  19           2HA      GLY  19  12.659   0.377   3.071
  163    H    LYS  20           H        LYS  20  12.665  -1.448   1.359
  164    HA   LYS  20           HA       LYS  20  15.450  -2.489   1.140
  165    HB2  LYS  20           1HB      LYS  20  12.731  -3.714   0.334
  166    HB3  LYS  20           2HB      LYS  20  14.252  -4.547   0.027
  167    HG2  LYS  20           2HG      LYS  20  14.790  -4.547   2.493
  168    HG3  LYS  20           1HG      LYS  20  13.311  -3.660   2.823
  169    HD2  LYS  20           2HD      LYS  20  12.836  -5.920   3.357
  170    HD3  LYS  20           1HD      LYS  20  11.933  -5.570   1.889
  171    HE2  LYS  20           2HE      LYS  20  13.718  -6.784   0.519
  172    HE3  LYS  20           1HE      LYS  20  14.637  -7.095   1.999
  173    HZ1  LYS  20           2HZ      LYS  20  11.893  -8.066   1.417
  174    HZ3  LYS  20           1HZ      LYS  20  13.260  -8.960   1.356
  175    HN1  NH2  21           2HN      NH2  21  14.250  -1.754  -2.782
  176    HN2  NH2  21           1HN      NH2  21  12.964  -2.163  -1.538
  Start of MODEL   11
    1    H1   ACE   1           3HA      ACE   1 -16.644  -4.812  -0.804
    2    H2   ACE   1           1HA      ACE   1 -15.150  -4.587   0.138
    3    H3   ACE   1           2HA      ACE   1 -16.745  -4.437   0.933
    4    H    ASN   1           H        ASN   1 -15.332  -2.394   1.451
    5    HA   ASN   1           HA       ASN   1 -16.508  -0.094  -0.084
    6    HB2  ASN   1           1HB      ASN   1 -16.510  -0.186   2.431
    7    HB3  ASN   1           2HB      ASN   1 -14.763  -0.090   2.461
    8   HD21  ASN   1          1HD2      ASN   1 -13.929   1.982   2.524
    9   HD22  ASN   1          2HD2      ASN   1 -14.909   3.505   2.229
   10    H    GLU   2           H        GLU   2 -15.480   0.642  -1.794
   11    HA   GLU   2           HA       GLU   2 -12.984   0.096  -2.801
   12    HB2  GLU   2           1HB      GLU   2 -15.057   1.393  -3.838
   13    HB3  GLU   2           2HB      GLU   2 -14.247   2.855  -3.333
   14    HG2  GLU   2           1HG      GLU   2 -13.067   0.704  -5.226
   15    HG3  GLU   2           2HG      GLU   2 -13.941   2.124  -5.756
   16    HE2  GLU   2           HE2      GLU   2 -10.069   2.336  -5.226
   17    H    VAL   3           H        VAL   3 -13.475   2.844  -0.594
   18    HA   VAL   3           HA       VAL   3 -10.759   3.957  -0.926
   19    HB   VAL   3           HB       VAL   3 -12.770   4.439   1.356
   20   HG11  VAL   3          3HG2      VAL   3 -10.479   5.151   2.014
   21   HG12  VAL   3          1HG2      VAL   3 -10.318   6.110   0.521
   22   HG13  VAL   3          2HG2      VAL   3 -11.518   6.565   1.766
   23   HG21  VAL   3          1HG1      VAL   3 -12.363   6.113  -1.206
   24   HG22  VAL   3          2HG1      VAL   3 -13.382   6.574   0.188
   25   HG23  VAL   3          3HG1      VAL   3 -13.810   5.163  -0.787
   26    H    SER   4           H        SER   4 -12.249   2.176   1.750
   27    HA   SER   4           HA       SER   4  -9.964   1.564   3.311
   28    HB2  SER   4           1HB      SER   4 -12.342  -0.337   2.895
   29    HB3  SER   4           2HB      SER   4 -11.147  -0.463   4.188
   30    HG   SER   4           HG       SER   4 -12.986   0.675   4.812
   31    H    GLU   5           H        GLU   5 -11.188  -0.743   0.859
   32    HA   GLU   5           HA       GLU   5  -9.035  -2.556   0.862
   33    HB2  GLU   5           2HB      GLU   5  -9.742  -3.479  -1.253
   34    HB3  GLU   5           1HB      GLU   5 -11.066  -3.191  -0.161
   35    HG2  GLU   5           2HG      GLU   5 -11.488  -1.002  -1.574
   36    HG3  GLU   5           1HG      GLU   5 -10.330  -1.649  -2.736
   37    HE2  GLU   5           HE2      GLU   5 -10.778  -3.473  -3.738
   38    H    ARG   6           H        ARG   6  -9.214   0.219  -1.354
   39    HA   ARG   6           HA       ARG   6  -6.627  -0.378  -2.653
   40    HB2  ARG   6           1HB      ARG   6  -8.643   0.974  -3.664
   41    HB3  ARG   6           2HB      ARG   6  -8.172   2.331  -2.643
   42    HG2  ARG   6           1HG      ARG   6  -5.926   2.423  -3.813
   43    HG3  ARG   6           2HG      ARG   6  -6.414   1.074  -4.859
   44    HD2  ARG   6           1HD      ARG   6  -8.350   2.443  -5.742
   45    HD3  ARG   6           2HD      ARG   6  -7.888   3.794  -4.693
   46   HH11  ARG   6          1HH1      ARG   6  -8.791   4.481  -6.793
   47   HH12  ARG   6          2HH1      ARG   6  -8.187   5.394  -8.266
   48   HH21  ARG   6          1HH2      ARG   6  -4.975   4.184  -7.976
   49   HH22  ARG   6          2HH2      ARG   6  -6.170   5.235  -8.888
   50    H    VAL   7           H        VAL   7  -7.355   2.156  -0.118
   51    HA   VAL   7           HA       VAL   7  -4.753   3.129   0.196
   52    HB   VAL   7           HB       VAL   7  -6.907   2.750   2.336
   53   HG11  VAL   7          1HG1      VAL   7  -5.736   4.517   3.688
   54   HG12  VAL   7          2HG1      VAL   7  -4.768   3.041   3.565
   55   HG13  VAL   7          3HG1      VAL   7  -4.346   4.455   2.568
   56   HG21  VAL   7          3HG2      VAL   7  -7.380   5.166   1.947
   57   HG22  VAL   7          1HG2      VAL   7  -7.488   4.319   0.397
   58   HG23  VAL   7          2HG2      VAL   7  -6.050   5.285   0.768
   59    H    HIS   8           H        HIS   8  -6.037   0.209   1.964
   60    HA   HIS   8           HA       HIS   8  -3.830  -0.647   3.368
   61    HB2  HIS   8           1HB      HIS   8  -6.314  -1.636   3.006
   62    HB3  HIS   8           2HB      HIS   8  -5.555  -2.677   1.832
   63    HD2  HIS   8           HD2      HIS   8  -3.063  -3.798   2.946
   64    HE1  HIS   8           HE1      HIS   8  -4.952  -4.546   6.588
   65    HE2  HIS   8           HE2      HIS   8  -2.896  -5.235   5.200
   66    H    VAL   9           H        VAL   9  -4.548  -1.567  -0.044
   67    HA   VAL   9           HA       VAL   9  -2.097  -3.160  -0.382
   68    HB   VAL   9           HB       VAL   9  -2.676  -3.525  -2.619
   69   HG11  VAL   9          3HG2      VAL   9  -4.873  -4.609  -2.492
   70   HG12  VAL   9          1HG2      VAL   9  -5.307  -3.644  -1.066
   71   HG13  VAL   9          2HG2      VAL   9  -3.987  -4.830  -0.965
   72   HG21  VAL   9          1HG1      VAL   9  -4.550  -2.593  -3.912
   73   HG22  VAL   9          2HG1      VAL   9  -3.427  -1.298  -3.477
   74   HG23  VAL   9          3HG1      VAL   9  -4.953  -1.487  -2.578
   75    H    TYR  10           H        TYR  10  -2.791   0.255  -1.002
   76    HA   TYR  10           HA       TYR  10  -0.353   0.764  -2.618
   77    HB2  TYR  10           2HB      TYR  10  -2.550   2.219  -2.599
   78    HB3  TYR  10           1HB      TYR  10  -2.040   2.830  -1.035
   79    HD1  TYR  10           HD2      TYR  10  -1.155   2.701  -4.683
   80    HD2  TYR  10           HD1      TYR  10  -0.242   4.527  -0.893
   81    HE1  TYR  10           HE2      TYR  10   0.200   4.405  -5.821
   82    HE2  TYR  10           HE1      TYR  10   1.107   6.225  -2.046
   83    HH   TYR  10           HH       TYR  10   1.482   6.204  -5.591
   84    H    HIS  11           H        HIS  11  -1.082   1.055   0.894
   85    HA   HIS  11           HA       HIS  11   1.513   2.291   1.607
   86    HB2  HIS  11           2HB      HIS  11  -0.766   1.013   3.233
   87    HB3  HIS  11           1HB      HIS  11   0.753   1.324   4.014
   88    HD2  HIS  11           HD2      HIS  11  -1.642   3.537   1.712
   89    HE1  HIS  11           HE1      HIS  11  -0.444   5.853   4.948
   90    HE2  HIS  11           HE2      HIS  11  -1.918   5.912   2.842
   91    H    ILE  12           H        ILE  12   0.445  -1.124   1.486
   92    HA   ILE  12           HA       ILE  12   2.893  -2.240   2.697
   93    HB   ILE  12           HB       ILE  12   0.844  -3.571   0.832
   94   HG12  ILE  12          1HG1      ILE  12   1.212  -3.868   3.890
   95   HG13  ILE  12          2HG1      ILE  12   0.018  -2.803   3.144
   96   HG21  ILE  12          1HG2      ILE  12   1.805  -5.786   1.522
   97   HG22  ILE  12          2HG2      ILE  12   3.013  -4.827   0.678
   98   HG23  ILE  12          3HG2      ILE  12   3.083  -4.962   2.452
   99   HD11  ILE  12          3HD1      ILE  12  -1.124  -4.770   2.056
  100   HD12  ILE  12          1HD1      ILE  12  -1.086  -4.865   3.835
  101   HD13  ILE  12          2HD1      ILE  12   0.012  -5.872   2.881
  102    H    LEU  13           H        LEU  13   1.960  -1.696  -0.747
  103    HA   LEU  13           HA       LEU  13   4.514  -2.531  -1.904
  104    HB2  LEU  13           1HB      LEU  13   2.338  -0.620  -2.982
  105    HB3  LEU  13           2HB      LEU  13   3.691  -1.113  -3.970
  106    HG   LEU  13           HG       LEU  13   1.678  -3.114  -2.770
  107   HD11  LEU  13          1HD1      LEU  13   0.523  -1.558  -4.342
  108   HD12  LEU  13          2HD1      LEU  13   1.725  -1.905  -5.610
  109   HD13  LEU  13          3HD1      LEU  13   0.632  -3.189  -5.031
  110   HD21  LEU  13          3HD2      LEU  13   3.872  -4.188  -3.352
  111   HD22  LEU  13          1HD2      LEU  13   2.600  -4.717  -4.465
  112   HD23  LEU  13          2HD2      LEU  13   3.794  -3.506  -4.995
  113    H    LYS  14           H        LYS  14   3.351   0.844  -1.105
  114    HA   LYS  14           HA       LYS  14   5.622   2.299  -1.848
  115    HB2  LYS  14           1HB      LYS  14   3.405   3.172  -1.085
  116    HB3  LYS  14           2HB      LYS  14   3.855   2.872   0.589
  117    HG2  LYS  14           2HG      LYS  14   5.773   4.523   0.333
  118    HG3  LYS  14           1HG      LYS  14   5.335   4.765  -1.360
  119    HD2  LYS  14           2HD      LYS  14   3.054   5.598  -0.645
  120    HD3  LYS  14           1HD      LYS  14   3.481   5.387   1.044
  121    HE2  LYS  14           1HE      LYS  14   4.952   7.285  -0.921
  122    HE3  LYS  14           2HE      LYS  14   3.650   7.775   0.159
  123    HZ1  LYS  14           2HZ      LYS  14   6.268   6.689   1.024
  124    HZ3  LYS  14           1HZ      LYS  14   5.810   8.257   1.081
  125    H    HIS  15           H        HIS  15   5.237   0.664   1.269
  126    HA   HIS  15           HA       HIS  15   7.752   1.647   2.506
  127    HB2  HIS  15           2HB      HIS  15   5.771   0.949   3.860
  128    HB3  HIS  15           1HB      HIS  15   5.940  -0.707   3.303
  129    HD2  HIS  15           HD2      HIS  15   8.011  -2.172   4.332
  130    HE1  HIS  15           HE1      HIS  15   9.069   0.506   7.341
  131    HE2  HIS  15           HE2      HIS  15   9.443  -1.917   6.560
  132    H    ILE  16           H        ILE  16   6.945  -1.323   0.741
  133    HA   ILE  16           HA       ILE  16   9.533  -2.661   1.220
  134    HB   ILE  16           HB       ILE  16   7.487  -3.329  -0.965
  135   HG12  ILE  16          1HG1      ILE  16   7.927  -4.788   1.734
  136   HG13  ILE  16          2HG1      ILE  16   6.713  -3.526   1.574
  137   HG21  ILE  16          1HG2      ILE  16   9.858  -5.009   0.101
  138   HG22  ILE  16          2HG2      ILE  16   8.620  -5.585  -1.044
  139   HG23  ILE  16          3HG2      ILE  16   9.724  -4.296  -1.523
  140   HD11  ILE  16          3HD1      ILE  16   6.670  -6.170   0.000
  141   HD12  ILE  16          1HD1      ILE  16   5.598  -5.668   1.324
  142   HD13  ILE  16          2HD1      ILE  16   5.525  -4.822  -0.240
  143    H    LYS  17           H        LYS  17   8.347  -0.909  -1.759
  144    HA   LYS  17           HA       LYS  17  10.966  -1.102  -3.078
  145    HB2  LYS  17           2HB      LYS  17  10.163   0.301  -4.826
  146    HB3  LYS  17           1HB      LYS  17   8.968  -0.905  -4.420
  147    HG2  LYS  17           2HG      LYS  17   7.623   0.874  -3.173
  148    HG3  LYS  17           1HG      LYS  17   8.822   2.078  -3.624
  149    HD2  LYS  17           1HD      LYS  17   8.400   1.674  -6.046
  150    HD3  LYS  17           2HD      LYS  17   7.250   0.396  -5.694
  151    HE2  LYS  17           2HE      LYS  17   6.865   3.337  -4.786
  152    HE3  LYS  17           1HE      LYS  17   6.277   2.700  -6.320
  153    HZ1  LYS  17           2HZ      LYS  17   4.917   1.118  -5.143
  154    HZ3  LYS  17           1HZ      LYS  17   4.557   2.647  -4.691
  155    H    ASP  18           H        ASP  18   9.638   1.506  -1.033
  156    HA   ASP  18           HA       ASP  18  11.843   3.391  -1.586
  157    HB2  ASP  18           2HB      ASP  18   9.529   4.060  -0.793
  158    HB3  ASP  18           1HB      ASP  18   9.882   3.390   0.789
  159    HD2  ASP  18           HD2      ASP  18  11.449   6.913  -0.474
  160    H    GLY  19           H        GLY  19  11.232   1.230   1.253
  161    HA2  GLY  19           2HA      GLY  19  13.777   1.840   2.624
  162    HA3  GLY  19           1HA      GLY  19  12.701   0.511   3.001
  163    H    LYS  20           H        LYS  20  12.741  -1.323   1.288
  164    HA   LYS  20           HA       LYS  20  15.572  -2.246   1.014
  165    HB2  LYS  20           2HB      LYS  20  12.890  -3.618   0.336
  166    HB3  LYS  20           1HB      LYS  20  14.439  -4.385  -0.010
  167    HG2  LYS  20           1HG      LYS  20  15.070  -4.266   2.429
  168    HG3  LYS  20           2HG      LYS  20  13.520  -3.511   2.803
  169    HD2  LYS  20           1HD      LYS  20  12.307  -5.534   1.900
  170    HD3  LYS  20           2HD      LYS  20  13.836  -6.318   1.534
  171    HE2  LYS  20           2HE      LYS  20  12.930  -5.475   4.379
  172    HE3  LYS  20           1HE      LYS  20  12.703  -7.080   3.690
  173    HZ1  LYS  20           2HZ      LYS  20  14.654  -6.967   5.078
  174    HZ3  LYS  20           1HZ      LYS  20  15.324  -5.784   4.171
  175    HN1  NH2  21           2HN      NH2  21  14.195  -1.664  -2.874
  176    HN2  NH2  21           1HN      NH2  21  12.982  -2.135  -1.580
  Start of MODEL   12
    1    H1   ACE   1           3HA      ACE   1 -16.230  -4.403   1.511
    2    H2   ACE   1           1HA      ACE   1 -15.666  -5.168   0.006
    3    H3   ACE   1           2HA      ACE   1 -14.489  -4.409   1.104
    4    H    ASN   1           H        ASN   1 -15.274  -2.047   1.668
    5    HA   ASN   1           HA       ASN   1 -16.407  -0.507  -0.641
    6    HB2  ASN   1           1HB      ASN   1 -16.510   1.404   0.670
    7    HB3  ASN   1           2HB      ASN   1 -17.110   0.073   1.611
    8   HD21  ASN   1          1HD2      ASN   1 -14.773   2.553   1.430
    9   HD22  ASN   1          2HD2      ASN   1 -13.839   2.107   2.936
   10    H    GLU   2           H        GLU   2 -15.389   0.761  -2.016
   11    HA   GLU   2           HA       GLU   2 -12.844   0.332  -2.953
   12    HB2  GLU   2           1HB      GLU   2 -14.839   1.645  -4.050
   13    HB3  GLU   2           2HB      GLU   2 -14.235   3.072  -3.233
   14    HG2  GLU   2           1HG      GLU   2 -12.028   2.845  -4.500
   15    HG3  GLU   2           2HG      GLU   2 -12.631   1.390  -5.284
   16    HE2  GLU   2           HE2      GLU   2 -14.711   3.035  -7.511
   17    H    VAL   3           H        VAL   3 -13.442   2.856  -0.523
   18    HA   VAL   3           HA       VAL   3 -10.738   4.033  -0.686
   19    HB   VAL   3           HB       VAL   3 -12.811   4.278   1.579
   20   HG11  VAL   3          3HG2      VAL   3 -11.609   6.380   2.207
   21   HG12  VAL   3          1HG2      VAL   3 -10.371   6.058   0.957
   22   HG13  VAL   3          2HG2      VAL   3 -10.550   4.967   2.356
   23   HG21  VAL   3          1HG1      VAL   3 -12.374   6.183  -0.811
   24   HG22  VAL   3          2HG1      VAL   3 -13.812   5.174  -0.518
   25   HG23  VAL   3          3HG1      VAL   3 -13.435   6.498   0.592
   26    H    SER   4           H        SER   4 -12.258   1.988   1.771
   27    HA   SER   4           HA       SER   4  -9.995   1.297   3.338
   28    HB2  SER   4           1HB      SER   4 -12.336   0.700   3.907
   29    HB3  SER   4           2HB      SER   4 -12.323  -0.605   2.715
   30    HG   SER   4           HG       SER   4 -10.570  -0.306   4.932
   31    H    GLU   5           H        GLU   5 -11.135  -0.815   0.679
   32    HA   GLU   5           HA       GLU   5  -8.955  -2.596   0.566
   33    HB2  GLU   5           1HB      GLU   5  -9.614  -3.338  -1.637
   34    HB3  GLU   5           2HB      GLU   5 -10.957  -3.169  -0.539
   35    HG2  GLU   5           2HG      GLU   5 -11.420  -0.878  -1.740
   36    HG3  GLU   5           1HG      GLU   5 -10.225  -1.368  -2.942
   37    HE2  GLU   5           HE2      GLU   5 -12.213  -3.768  -4.449
   38    H    ARG   6           H        ARG   6  -9.143   0.355  -1.408
   39    HA   ARG   6           HA       ARG   6  -6.535  -0.096  -2.722
   40    HB2  ARG   6           1HB      ARG   6  -8.578   1.297  -3.619
   41    HB3  ARG   6           2HB      ARG   6  -8.116   2.582  -2.507
   42    HG2  ARG   6           2HG      ARG   6  -5.877   2.774  -3.667
   43    HG3  ARG   6           1HG      ARG   6  -6.342   1.516  -4.819
   44    HD2  ARG   6           1HD      ARG   6  -7.844   4.194  -4.432
   45    HD3  ARG   6           2HD      ARG   6  -6.603   3.912  -5.653
   46   HH11  ARG   6          2HH2      ARG   6  -8.797   5.367  -5.937
   47   HH12  ARG   6          1HH2      ARG   6 -10.190   5.326  -7.131
   48   HH21  ARG   6          1HH1      ARG   6 -10.024   1.913  -7.553
   49   HH22  ARG   6          2HH1      ARG   6 -10.836   3.502  -7.982
   50    H    VAL   7           H        VAL   7  -7.329   2.207   0.007
   51    HA   VAL   7           HA       VAL   7  -4.742   3.185   0.425
   52    HB   VAL   7           HB       VAL   7  -6.918   2.612   2.498
   53   HG11  VAL   7          1HG1      VAL   7  -4.378   4.316   2.916
   54   HG12  VAL   7          2HG1      VAL   7  -4.804   2.821   3.784
   55   HG13  VAL   7          3HG1      VAL   7  -5.792   4.272   4.008
   56   HG21  VAL   7          3HG2      VAL   7  -7.411   5.047   2.299
   57   HG22  VAL   7          1HG2      VAL   7  -7.487   4.328   0.685
   58   HG23  VAL   7          2HG2      VAL   7  -6.064   5.274   1.154
   59    H    HIS   8           H        HIS   8  -6.012   0.127   1.956
   60    HA   HIS   8           HA       HIS   8  -3.802  -0.818   3.298
   61    HB2  HIS   8           2HB      HIS   8  -6.287  -1.780   2.858
   62    HB3  HIS   8           1HB      HIS   8  -5.524  -2.732   1.613
   63    HD2  HIS   8           HD2      HIS   8  -3.073  -3.971   2.619
   64    HE1  HIS   8           HE1      HIS   8  -4.921  -4.923   6.235
   65    HE2  HIS   8           HE2      HIS   8  -2.902  -5.562   4.770
   66    H    VAL   9           H        VAL   9  -4.513  -1.500  -0.173
   67    HA   VAL   9           HA       VAL   9  -2.050  -3.047  -0.622
   68    HB   VAL   9           HB       VAL   9  -2.620  -3.255  -2.876
   69   HG11  VAL   9          1HG1      VAL   9  -4.809  -4.346  -2.852
   70   HG12  VAL   9          2HG1      VAL   9  -5.272  -3.482  -1.371
   71   HG13  VAL   9          3HG1      VAL   9  -3.949  -4.671  -1.330
   72   HG21  VAL   9          3HG2      VAL   9  -4.878  -1.189  -2.690
   73   HG22  VAL   9          1HG2      VAL   9  -3.352  -0.983  -3.594
   74   HG23  VAL   9          2HG2      VAL   9  -4.518  -2.216  -4.094
   75    H    TYR  10           H        TYR  10  -2.754   0.388  -0.960
   76    HA   TYR  10           HA       TYR  10  -0.328   1.062  -2.540
   77    HB2  TYR  10           1HB      TYR  10  -2.512   2.511  -2.407
   78    HB3  TYR  10           2HB      TYR  10  -2.048   2.948  -0.770
   79    HD1  TYR  10           HD1      TYR  10  -0.914   3.155  -4.369
   80    HD2  TYR  10           HD2      TYR  10  -0.442   4.731  -0.391
   81    HE1  TYR  10           HE1      TYR  10   0.448   5.002  -5.252
   82    HE2  TYR  10           HE2      TYR  10   0.904   6.576  -1.289
   83    HH   TYR  10           HH       TYR  10   1.805   7.497  -3.092
   84    H    HIS  11           H        HIS  11  -1.052   1.093   0.989
   85    HA   HIS  11           HA       HIS  11   1.565   2.217   1.778
   86    HB2  HIS  11           1HB      HIS  11  -0.739   0.868   3.312
   87    HB3  HIS  11           2HB      HIS  11   0.787   1.080   4.113
   88    HD2  HIS  11           HD2      HIS  11  -1.704   3.437   2.109
   89    HE1  HIS  11           HE1      HIS  11  -0.130   5.626   5.272
   90    HE2  HIS  11           HE2      HIS  11  -1.820   5.779   3.340
   91    H    ILE  12           H        ILE  12   0.474  -1.171   1.409
   92    HA   ILE  12           HA       ILE  12   2.915  -2.381   2.546
   93    HB   ILE  12           HB       ILE  12   0.854  -3.561   0.597
   94   HG12  ILE  12          1HG1      ILE  12   1.245  -4.081   3.622
   95   HG13  ILE  12          2HG1      ILE  12   0.049  -2.964   2.963
   96   HG21  ILE  12          1HG2      ILE  12   3.007  -4.821   0.325
   97   HG22  ILE  12          2HG2      ILE  12   1.798  -5.829   1.110
   98   HG23  ILE  12          3HG2      ILE  12   3.095  -5.090   2.083
   99   HD11  ILE  12          3HD1      ILE  12  -1.059  -5.061   3.514
  100   HD12  ILE  12          1HD1      ILE  12  -1.104  -4.850   1.745
  101   HD13  ILE  12          2HD1      ILE  12   0.032  -6.007   2.492
  102    H    LEU  13           H        LEU  13   1.998  -1.595  -0.849
  103    HA   LEU  13           HA       LEU  13   4.568  -2.355  -2.038
  104    HB2  LEU  13           2HB      LEU  13   2.372  -0.415  -3.022
  105    HB3  LEU  13           1HB      LEU  13   3.730  -0.843  -4.030
  106    HG   LEU  13           HG       LEU  13   1.714  -2.908  -2.939
  107   HD11  LEU  13          3HD2      LEU  13   1.794  -1.597  -5.732
  108   HD12  LEU  13          1HD2      LEU  13   0.683  -2.885  -5.198
  109   HD13  LEU  13          2HD2      LEU  13   0.587  -1.275  -4.463
  110   HD21  LEU  13          1HD1      LEU  13   3.903  -3.973  -3.538
  111   HD22  LEU  13          2HD1      LEU  13   2.651  -4.433  -4.703
  112   HD23  LEU  13          3HD1      LEU  13   3.865  -3.206  -5.145
  113    H    LYS  14           H        LYS  14   3.377   0.962  -1.058
  114    HA   LYS  14           HA       LYS  14   5.675   2.422  -1.721
  115    HB2  LYS  14           1HB      LYS  14   3.446   3.287  -1.006
  116    HB3  LYS  14           2HB      LYS  14   3.845   2.962   0.676
  117    HG2  LYS  14           2HG      LYS  14   5.748   4.621   0.532
  118    HG3  LYS  14           1HG      LYS  14   5.434   4.850  -1.190
  119    HD2  LYS  14           1HD      LYS  14   3.112   5.703  -0.651
  120    HD3  LYS  14           2HD      LYS  14   3.435   5.500   1.074
  121    HE2  LYS  14           2HE      LYS  14   5.338   7.177   0.915
  122    HE3  LYS  14           1HE      LYS  14   5.035   7.363  -0.819
  123    HZ1  LYS  14           2HZ      LYS  14   2.791   8.130  -0.278
  124    HZ3  LYS  14           1HZ      LYS  14   3.069   7.959   1.323
  125    H    HIS  15           H        HIS  15   5.207   0.693   1.341
  126    HA   HIS  15           HA       HIS  15   7.694   1.658   2.659
  127    HB2  HIS  15           2HB      HIS  15   5.662   0.989   3.951
  128    HB3  HIS  15           1HB      HIS  15   5.839  -0.672   3.414
  129    HD2  HIS  15           HD2      HIS  15   7.762  -2.164   4.584
  130    HE1  HIS  15           HE1      HIS  15   8.970   0.609   7.447
  131    HE2  HIS  15           HE2      HIS  15   9.211  -1.870   6.800
  132    H    ILE  16           H        ILE  16   6.867  -1.367   0.988
  133    HA   ILE  16           HA       ILE  16   9.512  -2.630   1.448
  134    HB   ILE  16           HB       ILE  16   7.377  -3.488  -0.579
  135   HG12  ILE  16          2HG1      ILE  16   7.988  -4.746   2.189
  136   HG13  ILE  16          1HG1      ILE  16   6.724  -3.536   1.995
  137   HG21  ILE  16          1HG2      ILE  16   9.610  -4.441  -1.188
  138   HG22  ILE  16          2HG2      ILE  16   8.549  -5.716  -0.592
  139   HG23  ILE  16          3HG2      ILE  16   9.827  -5.064   0.464
  140   HD11  ILE  16          3HD1      ILE  16   5.668  -5.720   1.950
  141   HD12  ILE  16          1HD1      ILE  16   6.716  -6.301   0.640
  142   HD13  ILE  16          2HD1      ILE  16   5.520  -5.016   0.322
  143    H    LYS  17           H        LYS  17   8.120  -1.076  -1.523
  144    HA   LYS  17           HA       LYS  17  10.538  -1.395  -3.108
  145    HB2  LYS  17           2HB      LYS  17   8.277  -1.061  -4.086
  146    HB3  LYS  17           1HB      LYS  17   8.178   0.561  -3.435
  147    HG2  LYS  17           1HG      LYS  17   8.573   0.596  -5.831
  148    HG3  LYS  17           2HG      LYS  17   9.896   1.395  -5.009
  149    HD2  LYS  17           2HD      LYS  17  11.312  -0.710  -5.286
  150    HD3  LYS  17           1HD      LYS  17   9.954  -1.511  -6.085
  151    HE2  LYS  17           1HE      LYS  17  10.005   0.250  -7.925
  152    HE3  LYS  17           2HE      LYS  17  11.364   1.049  -7.120
  153    HZ1  LYS  17           2HZ      LYS  17  12.130  -0.403  -8.844
  154    HZ3  LYS  17           1HZ      LYS  17  12.666  -0.957  -7.403
  155    H    ASP  18           H        ASP  18   9.405   1.557  -1.341
  156    HA   ASP  18           HA       ASP  18  11.778   3.148  -2.029
  157    HB2  ASP  18           1HB      ASP  18   9.491   4.076  -1.369
  158    HB3  ASP  18           2HB      ASP  18   9.821   3.636   0.296
  159    HD2  ASP  18           HD2      ASP  18  10.794   5.482  -2.374
  160    H    GLY  19           H        GLY  19  10.999   1.329   0.993
  161    HA2  GLY  19           2HA      GLY  19  13.477   2.024   2.427
  162    HA3  GLY  19           1HA      GLY  19  12.385   0.722   2.845
  163    H    LYS  20           H        LYS  20  12.529  -1.256   1.351
  164    HA   LYS  20           HA       LYS  20  15.388  -2.130   1.237
  165    HB2  LYS  20           1HB      LYS  20  12.763  -3.641   0.646
  166    HB3  LYS  20           2HB      LYS  20  14.332  -4.414   0.469
  167    HG2  LYS  20           1HG      LYS  20  13.246  -3.242   3.112
  168    HG3  LYS  20           2HG      LYS  20  13.137  -4.923   2.614
  169    HD2  LYS  20           1HD      LYS  20  15.668  -5.083   2.542
  170    HD3  LYS  20           2HD      LYS  20  15.783  -3.409   3.097
  171    HE2  LYS  20           2HE      LYS  20  14.542  -4.022   5.229
  172    HE3  LYS  20           1HE      LYS  20  14.428  -5.701   4.679
  173    HZ1  LYS  20           2HZ      LYS  20  16.859  -5.777   4.622
  174    HZ3  LYS  20           1HZ      LYS  20  16.965  -4.227   5.129
  175    HN1  NH2  21           2HN      NH2  21  14.088  -2.050  -2.713
  176    HN2  NH2  21           1HN      NH2  21  12.860  -2.417  -1.400
  Start of MODEL   13
    1    H1   ACE   1           3HA      ACE   1 -13.611  -2.697   3.320
    2    H2   ACE   1           1HA      ACE   1 -15.327  -2.919   3.771
    3    H3   ACE   1           2HA      ACE   1 -14.449  -4.216   2.924
    4    H    ASN   1           H        ASN   1 -15.049  -0.737   2.515
    5    HA   ASN   1           HA       ASN   1 -16.299  -1.117  -0.190
    6    HB2  ASN   1           2HB      ASN   1 -17.132   1.036  -0.012
    7    HB3  ASN   1           1HB      ASN   1 -17.214   0.464   1.622
    8   HD21  ASN   1          2HD2      ASN   1 -15.084   1.168   2.957
    9   HD22  ASN   1          1HD2      ASN   1 -14.516   2.877   2.600
   10    H    GLU   2           H        GLU   2 -15.676   0.729  -1.830
   11    HA   GLU   2           HA       GLU   2 -13.259   0.188  -3.063
   12    HB2  GLU   2           2HB      GLU   2 -15.353   1.480  -3.981
   13    HB3  GLU   2           1HB      GLU   2 -14.658   2.931  -3.291
   14    HG2  GLU   2           2HG      GLU   2 -12.605   2.642  -4.787
   15    HG3  GLU   2           1HG      GLU   2 -13.296   1.158  -5.434
   16    HE2  GLU   2           HE2      GLU   2 -14.637   4.805  -6.558
   17    H    VAL   3           H        VAL   3 -13.637   2.778  -0.667
   18    HA   VAL   3           HA       VAL   3 -10.963   3.990  -1.049
   19    HB   VAL   3           HB       VAL   3 -12.921   4.252   1.317
   20   HG11  VAL   3          3HG2      VAL   3 -10.629   4.948   1.998
   21   HG12  VAL   3          1HG2      VAL   3 -10.506   6.029   0.586
   22   HG13  VAL   3          2HG2      VAL   3 -11.693   6.360   1.882
   23   HG21  VAL   3          1HG1      VAL   3 -13.602   6.451   0.344
   24   HG22  VAL   3          2HG1      VAL   3 -12.578   6.160  -1.090
   25   HG23  VAL   3          3HG1      VAL   3 -13.995   5.131  -0.763
   26    H    SER   4           H        SER   4 -12.314   2.044   1.597
   27    HA   SER   4           HA       SER   4  -9.988   1.332   3.013
   28    HB2  SER   4           2HB      SER   4 -12.317   0.774   3.714
   29    HB3  SER   4           1HB      SER   4 -12.388  -0.535   2.529
   30    HG   SER   4           HG       SER   4 -11.808  -1.229   4.598
   31    H    GLU   5           H        GLU   5 -11.261  -0.808   0.414
   32    HA   GLU   5           HA       GLU   5  -9.105  -2.598   0.244
   33    HB2  GLU   5           2HB      GLU   5  -9.788  -3.331  -1.944
   34    HB3  GLU   5           1HB      GLU   5 -11.139  -3.128  -0.867
   35    HG2  GLU   5           1HG      GLU   5 -11.556  -0.852  -2.079
   36    HG3  GLU   5           2HG      GLU   5 -10.320  -1.327  -3.246
   37    HE2  GLU   5           HE2      GLU   5 -10.660  -2.999  -4.495
   38    H    ARG   6           H        ARG   6  -9.260   0.395  -1.684
   39    HA   ARG   6           HA       ARG   6  -6.641  -0.060  -2.978
   40    HB2  ARG   6           2HB      ARG   6  -8.618   1.430  -3.872
   41    HB3  ARG   6           1HB      ARG   6  -8.161   2.643  -2.679
   42    HG2  ARG   6           2HG      ARG   6  -5.858   2.801  -3.775
   43    HG3  ARG   6           1HG      ARG   6  -6.378   1.628  -5.001
   44    HD2  ARG   6           1HD      ARG   6  -8.238   3.200  -5.716
   45    HD3  ARG   6           2HD      ARG   6  -7.715   4.375  -4.496
   46   HH11  ARG   6          2HH2      ARG   6  -8.514   5.430  -6.457
   47   HH12  ARG   6          1HH2      ARG   6  -7.821   6.496  -7.781
   48   HH21  ARG   6          1HH1      ARG   6  -4.720   5.001  -7.671
   49   HH22  ARG   6          2HH1      ARG   6  -5.817   6.267  -8.420
   50    H    VAL   7           H        VAL   7  -7.437   2.128  -0.165
   51    HA   VAL   7           HA       VAL   7  -4.860   3.079   0.337
   52    HB   VAL   7           HB       VAL   7  -7.037   2.379   2.375
   53   HG11  VAL   7          3HG2      VAL   7  -5.932   3.991   3.951
   54   HG12  VAL   7          1HG2      VAL   7  -4.529   4.114   2.852
   55   HG13  VAL   7          2HG2      VAL   7  -4.916   2.573   3.656
   56   HG21  VAL   7          1HG1      VAL   7  -6.250   5.102   1.119
   57   HG22  VAL   7          2HG1      VAL   7  -7.556   4.824   2.299
   58   HG23  VAL   7          3HG1      VAL   7  -7.678   4.152   0.668
   59    H    HIS   8           H        HIS   8  -6.129  -0.062   1.685
   60    HA   HIS   8           HA       HIS   8  -3.929  -1.063   3.003
   61    HB2  HIS   8           1HB      HIS   8  -6.399  -2.020   2.486
   62    HB3  HIS   8           2HB      HIS   8  -5.613  -2.902   1.204
   63    HD2  HIS   8           HD2      HIS   8  -3.129  -4.132   2.200
   64    HE1  HIS   8           HE1      HIS   8  -5.041  -5.327   5.709
   65    HE2  HIS   8           HE2      HIS   8  -2.967  -5.829   4.267
   66    H    VAL   9           H        VAL   9  -4.597  -1.568  -0.506
   67    HA   VAL   9           HA       VAL   9  -2.121  -3.075  -1.006
   68    HB   VAL   9           HB       VAL   9  -2.670  -3.166  -3.278
   69   HG11  VAL   9          1HG1      VAL   9  -5.327  -3.488  -1.799
   70   HG12  VAL   9          2HG1      VAL   9  -4.860  -4.267  -3.325
   71   HG13  VAL   9          3HG1      VAL   9  -4.001  -4.673  -1.821
   72   HG21  VAL   9          3HG2      VAL   9  -4.955  -1.153  -3.006
   73   HG22  VAL   9          1HG2      VAL   9  -4.534  -2.078  -4.467
   74   HG23  VAL   9          2HG2      VAL   9  -3.420  -0.848  -3.855
   75    H    TYR  10           H        TYR  10  -2.840   0.370  -1.170
   76    HA   TYR  10           HA       TYR  10  -0.397   1.130  -2.689
   77    HB2  TYR  10           1HB      TYR  10  -2.590   2.563  -2.515
   78    HB3  TYR  10           2HB      TYR  10  -2.147   2.924  -0.855
   79    HD1  TYR  10           HD2      TYR  10  -0.888   3.238  -4.415
   80    HD2  TYR  10           HD1      TYR  10  -0.640   4.759  -0.397
   81    HE1  TYR  10           HE2      TYR  10   0.453   5.139  -5.208
   82    HE2  TYR  10           HE1      TYR  10   0.689   6.658  -1.205
   83    HH   TYR  10           HH       TYR  10   1.629   7.643  -2.956
   84    H    HIS  11           H        HIS  11  -1.186   1.050   0.833
   85    HA   HIS  11           HA       HIS  11   1.418   2.113   1.715
   86    HB2  HIS  11           1HB      HIS  11  -0.901   0.682   3.148
   87    HB3  HIS  11           2HB      HIS  11   0.616   0.849   3.976
   88    HD2  HIS  11           HD2      HIS  11  -1.854   3.318   2.080
   89    HE1  HIS  11           HE1      HIS  11  -0.299   5.325   5.371
   90    HE2  HIS  11           HE2      HIS  11  -1.973   5.588   3.436
   91    H    ILE  12           H        ILE  12   0.371  -1.247   1.107
   92    HA   ILE  12           HA       ILE  12   2.786  -2.514   2.241
   93    HB   ILE  12           HB       ILE  12   0.808  -3.580   0.144
   94   HG12  ILE  12          1HG1      ILE  12   1.092  -4.299   3.141
   95   HG13  ILE  12          2HG1      ILE  12  -0.094  -3.153   2.513
   96   HG21  ILE  12          1HG2      ILE  12   1.769  -5.866   0.543
   97   HG22  ILE  12          2HG2      ILE  12   2.992  -4.792  -0.121
   98   HG23  ILE  12          3HG2      ILE  12   3.011  -5.176   1.618
   99   HD11  ILE  12          3HD1      ILE  12  -0.050  -6.156   1.827
  100   HD12  ILE  12          1HD1      ILE  12  -1.185  -5.305   2.883
  101   HD13  ILE  12          2HD1      ILE  12  -1.181  -4.962   1.134
  102    H    LEU  13           H        LEU  13   1.962  -1.496  -1.122
  103    HA   LEU  13           HA       LEU  13   4.554  -2.160  -2.297
  104    HB2  LEU  13           1HB      LEU  13   2.423  -0.104  -3.184
  105    HB3  LEU  13           2HB      LEU  13   3.802  -0.488  -4.187
  106    HG   LEU  13           HG       LEU  13   1.729  -2.593  -3.313
  107   HD11  LEU  13          3HD2      LEU  13   0.652  -0.826  -4.714
  108   HD12  LEU  13          1HD2      LEU  13   0.748  -2.368  -5.583
  109   HD13  LEU  13          2HD2      LEU  13   1.883  -1.052  -5.982
  110   HD21  LEU  13          1HD1      LEU  13   2.689  -3.983  -5.166
  111   HD22  LEU  13          2HD1      LEU  13   3.930  -3.619  -3.955
  112   HD23  LEU  13          3HD1      LEU  13   3.915  -2.734  -5.501
  113    H    LYS  14           H        LYS  14   3.365   1.118  -1.133
  114    HA   LYS  14           HA       LYS  14   5.736   2.566  -1.550
  115    HB2  LYS  14           1HB      LYS  14   3.673   2.910   0.672
  116    HB3  LYS  14           2HB      LYS  14   4.966   4.052   0.418
  117    HG2  LYS  14           1HG      LYS  14   2.868   3.346  -1.720
  118    HG3  LYS  14           2HG      LYS  14   2.754   4.697  -0.620
  119    HD2  LYS  14           2HD      LYS  14   4.979   4.323  -2.727
  120    HD3  LYS  14           1HD      LYS  14   3.535   5.265  -2.970
  121    HE2  LYS  14           1HE      LYS  14   5.681   5.913  -0.835
  122    HE3  LYS  14           2HE      LYS  14   5.586   6.638  -2.435
  123    HZ1  LYS  14           2HZ      LYS  14   4.574   8.052  -0.821
  124    HZ3  LYS  14           1HZ      LYS  14   3.438   7.557  -1.887
  125    H    HIS  15           H        HIS  15   5.114   0.527   1.267
  126    HA   HIS  15           HA       HIS  15   7.508   1.341   2.832
  127    HB2  HIS  15           2HB      HIS  15   5.441   0.441   3.913
  128    HB3  HIS  15           1HB      HIS  15   5.681  -1.115   3.139
  129    HD2  HIS  15           HD2      HIS  15   7.724  -2.688   4.085
  130    HE1  HIS  15           HE1      HIS  15   8.487  -0.476   7.530
  131    HE2  HIS  15           HE2      HIS  15   8.986  -2.746   6.426
  132    H    ILE  16           H        ILE  16   6.827  -1.405   0.687
  133    HA   ILE  16           HA       ILE  16   9.432  -2.742   1.032
  134    HB   ILE  16           HB       ILE  16   7.471  -3.098  -1.300
  135   HG12  ILE  16          1HG1      ILE  16   7.837  -4.938   1.169
  136   HG13  ILE  16          2HG1      ILE  16   6.602  -3.687   1.144
  137   HG21  ILE  16          1HG2      ILE  16   9.751  -3.948  -1.902
  138   HG22  ILE  16          2HG2      ILE  16   9.817  -4.910  -0.408
  139   HG23  ILE  16          3HG2      ILE  16   8.639  -5.299  -1.686
  140   HD11  ILE  16          3HD1      ILE  16   5.543  -5.784   0.539
  141   HD12  ILE  16          1HD1      ILE  16   6.677  -6.073  -0.797
  142   HD13  ILE  16          2HD1      ILE  16   5.516  -4.722  -0.887
  143    H    LYS  17           H        LYS  17   8.280  -0.549  -1.637
  144    HA   LYS  17           HA       LYS  17  10.847  -0.501  -3.019
  145    HB2  LYS  17           1HB      LYS  17  10.030   1.249  -4.406
  146    HB3  LYS  17           2HB      LYS  17   8.764   0.075  -4.154
  147    HG2  LYS  17           1HG      LYS  17   7.698   1.698  -2.433
  148    HG3  LYS  17           2HG      LYS  17   8.973   2.836  -2.803
  149    HD2  LYS  17           1HD      LYS  17   7.263   3.653  -4.094
  150    HD3  LYS  17           2HD      LYS  17   8.190   2.786  -5.293
  151    HE2  LYS  17           2HE      LYS  17   5.610   1.744  -3.908
  152    HE3  LYS  17           1HE      LYS  17   5.650   2.576  -5.454
  153    HZ1  LYS  17           2HZ      LYS  17   6.952   0.792  -6.381
  154    HZ3  LYS  17           1HZ      LYS  17   5.538   0.236  -5.780
  155    H    ASP  18           H        ASP  18   9.699   1.639  -0.413
  156    HA   ASP  18           HA       ASP  18  11.948   3.538  -0.602
  157    HB2  ASP  18           2HB      ASP  18   9.678   4.064   0.393
  158    HB3  ASP  18           1HB      ASP  18  10.041   3.034   1.766
  159    HD2  ASP  18           HD2      ASP  18  11.689   6.714   1.315
  160    H    GLY  19           H        GLY  19  11.352   0.811   1.707
  161    HA2  GLY  19           2HA      GLY  19  13.963   1.039   3.076
  162    HA3  GLY  19           1HA      GLY  19  12.853  -0.309   3.201
  163    H    LYS  20           H        LYS  20  12.774  -1.753   1.177
  164    HA   LYS  20           HA       LYS  20  15.560  -2.627   0.530
  165    HB2  LYS  20           2HB      LYS  20  12.814  -3.797  -0.258
  166    HB3  LYS  20           1HB      LYS  20  14.317  -4.521  -0.805
  167    HG2  LYS  20           1HG      LYS  20  13.420  -4.219   2.129
  168    HG3  LYS  20           2HG      LYS  20  13.302  -5.673   1.166
  169    HD2  LYS  20           2HD      LYS  20  15.942  -4.326   2.027
  170    HD3  LYS  20           1HD      LYS  20  15.182  -5.705   2.804
  171    HE2  LYS  20           2HE      LYS  20  15.449  -7.075   0.673
  172    HE3  LYS  20           1HE      LYS  20  16.257  -5.703  -0.099
  173    HZ1  LYS  20           2HZ      LYS  20  17.199  -7.061   2.364
  174    HZ3  LYS  20           1HZ      LYS  20  17.941  -5.791   1.650
  175    HN1  NH2  21           2HN      NH2  21  13.950  -1.269  -3.059
  176    HN2  NH2  21           1HN      NH2  21  12.813  -1.986  -1.810
  Start of MODEL   14
    1    H1   ACE   1           3HA      ACE   1 -16.319  -4.990  -1.256
    2    H2   ACE   1           1HA      ACE   1 -14.764  -4.880  -0.397
    3    H3   ACE   1           2HA      ACE   1 -16.295  -4.962   0.524
    4    H    ASN   1           H        ASN   1 -14.911  -2.993   1.330
    5    HA   ASN   1           HA       ASN   1 -16.287  -0.500   0.375
    6    HB2  ASN   1           1HB      ASN   1 -16.067  -1.074   2.813
    7    HB3  ASN   1           2HB      ASN   1 -14.327  -0.909   2.722
    8   HD21  ASN   1          1HD2      ASN   1 -13.571   1.127   3.207
    9   HD22  ASN   1          2HD2      ASN   1 -14.605   2.642   3.265
   10    H    GLU   2           H        GLU   2 -15.437   0.579  -1.252
   11    HA   GLU   2           HA       GLU   2 -13.006   0.364  -2.517
   12    HB2  GLU   2           2HB      GLU   2 -15.177   1.659  -3.242
   13    HB3  GLU   2           1HB      GLU   2 -14.542   3.039  -2.370
   14    HG2  GLU   2           2HG      GLU   2 -12.502   3.052  -3.912
   15    HG3  GLU   2           1HG      GLU   2 -13.132   1.632  -4.741
   16    HE2  GLU   2           HE2      GLU   2 -13.585   4.895  -4.013
   17    H    VAL   3           H        VAL   3 -13.436   2.644   0.177
   18    HA   VAL   3           HA       VAL   3 -10.793   3.939  -0.143
   19    HB   VAL   3           HB       VAL   3 -12.668   3.934   2.301
   20   HG11  VAL   3          3HG2      VAL   3 -11.466   6.006   3.011
   21   HG12  VAL   3          1HG2      VAL   3 -10.364   4.620   2.946
   22   HG13  VAL   3          2HG2      VAL   3 -10.331   5.833   1.640
   23   HG21  VAL   3          1HG1      VAL   3 -12.470   6.042   0.053
   24   HG22  VAL   3          2HG1      VAL   3 -13.422   6.207   1.556
   25   HG23  VAL   3          3HG1      VAL   3 -13.856   4.970   0.370
   26    H    SER   4           H        SER   4 -12.028   1.682   2.297
   27    HA   SER   4           HA       SER   4  -9.623   0.925   3.577
   28    HB2  SER   4           2HB      SER   4 -11.904   0.224   4.299
   29    HB3  SER   4           1HB      SER   4 -11.955  -0.996   3.021
   30    HG   SER   4           HG       SER   4 -10.029  -0.790   5.101
   31    H    GLU   5           H        GLU   5 -10.939  -0.996   0.841
   32    HA   GLU   5           HA       GLU   5  -8.745  -2.698   0.410
   33    HB2  GLU   5           1HB      GLU   5  -9.520  -3.247  -1.804
   34    HB3  GLU   5           2HB      GLU   5 -10.809  -3.195  -0.634
   35    HG2  GLU   5           2HG      GLU   5 -11.338  -0.806  -1.609
   36    HG3  GLU   5           1HG      GLU   5 -10.205  -1.190  -2.906
   37    HE2  GLU   5           HE2      GLU   5 -12.289  -3.407  -4.537
   38    H    ARG   6           H        ARG   6  -9.067   0.458  -1.209
   39    HA   ARG   6           HA       ARG   6  -6.511   0.188  -2.678
   40    HB2  ARG   6           2HB      ARG   6  -8.561   1.692  -3.349
   41    HB3  ARG   6           1HB      ARG   6  -8.085   2.810  -2.074
   42    HG2  ARG   6           2HG      ARG   6  -5.837   3.133  -3.245
   43    HG3  ARG   6           1HG      ARG   6  -6.379   2.056  -4.548
   44    HD2  ARG   6           2HD      ARG   6  -8.310   3.627  -5.044
   45    HD3  ARG   6           1HD      ARG   6  -7.765   4.706  -3.748
   46   HH11  ARG   6          2HH1      ARG   6  -8.677   5.904  -5.572
   47   HH12  ARG   6          1HH1      ARG   6  -8.072   7.102  -6.823
   48   HH21  ARG   6          2HH2      ARG   6  -4.930   5.698  -6.975
   49   HH22  ARG   6          1HH2      ARG   6  -6.092   6.991  -7.563
   50    H    VAL   7           H        VAL   7  -7.222   2.109   0.342
   51    HA   VAL   7           HA       VAL   7  -4.640   3.075   0.824
   52    HB   VAL   7           HB       VAL   7  -6.759   2.172   2.841
   53   HG11  VAL   7          3HG2      VAL   7  -4.620   2.221   4.103
   54   HG12  VAL   7          1HG2      VAL   7  -5.623   3.605   4.558
   55   HG13  VAL   7          2HG2      VAL   7  -4.235   3.836   3.458
   56   HG21  VAL   7          1HG1      VAL   7  -7.291   4.595   3.007
   57   HG22  VAL   7          2HG1      VAL   7  -5.964   5.016   1.895
   58   HG23  VAL   7          3HG1      VAL   7  -7.378   4.128   1.304
   59    H    HIS   8           H        HIS   8  -5.797  -0.188   1.968
   60    HA   HIS   8           HA       HIS   8  -3.511  -1.245   3.079
   61    HB2  HIS   8           1HB      HIS   8  -5.976  -2.234   2.632
   62    HB3  HIS   8           2HB      HIS   8  -5.239  -3.002   1.250
   63    HD2  HIS   8           HD2      HIS   8  -2.578  -4.108   2.107
   64    HE1  HIS   8           HE1      HIS   8  -4.352  -5.737   5.512
   65    HE2  HIS   8           HE2      HIS   8  -2.258  -5.945   4.026
   66    H    VAL   9           H        VAL   9  -4.369  -1.509  -0.421
   67    HA   VAL   9           HA       VAL   9  -1.909  -2.933  -1.152
   68    HB   VAL   9           HB       VAL   9  -2.558  -2.869  -3.394
   69   HG11  VAL   9          3HG2      VAL   9  -5.150  -3.312  -1.832
   70   HG12  VAL   9          1HG2      VAL   9  -4.735  -3.987  -3.421
   71   HG13  VAL   9          2HG2      VAL   9  -3.817  -4.480  -1.981
   72   HG21  VAL   9          1HG1      VAL   9  -4.484  -1.722  -4.424
   73   HG22  VAL   9          2HG1      VAL   9  -4.834  -0.892  -2.889
   74   HG23  VAL   9          3HG1      VAL   9  -3.342  -0.530  -3.790
   75    H    TYR  10           H        TYR  10  -2.655   0.525  -1.058
   76    HA   TYR  10           HA       TYR  10  -0.291   1.392  -2.633
   77    HB2  TYR  10           2HB      TYR  10  -2.487   2.785  -2.201
   78    HB3  TYR  10           1HB      TYR  10  -1.910   3.048  -0.565
   79    HD1  TYR  10           HD1      TYR  10  -1.101   3.664  -4.194
   80    HD2  TYR  10           HD2      TYR  10  -0.223   4.775  -0.129
   81    HE1  TYR  10           HE1      TYR  10   0.165   5.614  -4.991
   82    HE2  TYR  10           HE2      TYR  10   1.026   6.728  -0.941
   83    HH   TYR  10           HH       TYR  10   1.365   7.397  -4.425
   84    H    HIS  11           H        HIS  11  -0.863   0.954   0.891
   85    HA   HIS  11           HA       HIS  11   1.772   1.997   1.730
   86    HB2  HIS  11           1HB      HIS  11  -0.446   0.418   3.153
   87    HB3  HIS  11           2HB      HIS  11   1.110   0.546   3.912
   88    HD2  HIS  11           HD2      HIS  11  -1.502   3.101   2.355
   89    HE1  HIS  11           HE1      HIS  11   0.235   4.901   5.677
   90    HE2  HIS  11           HE2      HIS  11  -1.562   5.270   3.875
   91    H    ILE  12           H        ILE  12   0.733  -1.279   0.787
   92    HA   ILE  12           HA       ILE  12   3.147  -2.678   1.743
   93    HB   ILE  12           HB       ILE  12   1.126  -3.472  -0.432
   94   HG12  ILE  12          2HG1      ILE  12   1.478  -4.616   2.418
   95   HG13  ILE  12          1HG1      ILE  12   0.325  -3.339   2.030
   96   HG21  ILE  12          1HG2      ILE  12   3.351  -5.253   0.769
   97   HG22  ILE  12          2HG2      ILE  12   3.282  -4.662  -0.910
   98   HG23  ILE  12          3HG2      ILE  12   2.067  -5.798  -0.339
   99   HD11  ILE  12          3HD1      ILE  12   0.216  -6.186   0.848
  100   HD12  ILE  12          1HD1      ILE  12  -0.896  -4.853   0.432
  101   HD13  ILE  12          2HD1      ILE  12  -0.838  -5.500   2.091
  102    H    LEU  13           H        LEU  13   2.322  -1.324  -1.513
  103    HA   LEU  13           HA       LEU  13   5.004  -1.842  -2.645
  104    HB2  LEU  13           1HB      LEU  13   2.625  -0.136  -3.615
  105    HB3  LEU  13           2HB      LEU  13   4.169  -0.039  -4.419
  106    HG   LEU  13           HG       LEU  13   4.149  -2.539  -4.833
  107   HD11  LEU  13          1HD1      LEU  13   2.451  -3.353  -3.186
  108   HD12  LEU  13          2HD1      LEU  13   1.934  -3.740  -4.830
  109   HD13  LEU  13          3HD1      LEU  13   1.183  -2.376  -3.968
  110   HD21  LEU  13          3HD2      LEU  13   1.868  -0.886  -6.101
  111   HD22  LEU  13          1HD2      LEU  13   3.578  -0.867  -6.597
  112   HD23  LEU  13          2HD2      LEU  13   2.620  -2.344  -6.798
  113    H    LYS  14           H        LYS  14   3.565   1.213  -1.241
  114    HA   LYS  14           HA       LYS  14   5.759   2.912  -1.625
  115    HB2  LYS  14           1HB      LYS  14   3.478   3.502  -0.791
  116    HB3  LYS  14           2HB      LYS  14   3.899   2.909   0.811
  117    HG2  LYS  14           2HG      LYS  14   5.723   4.681   0.948
  118    HG3  LYS  14           1HG      LYS  14   5.313   5.218  -0.684
  119    HD2  LYS  14           2HD      LYS  14   2.958   5.761   0.107
  120    HD3  LYS  14           1HD      LYS  14   3.399   5.260   1.742
  121    HE2  LYS  14           1HE      LYS  14   5.172   7.080   1.824
  122    HE3  LYS  14           2HE      LYS  14   4.746   7.573   0.177
  123    HZ1  LYS  14           2HZ      LYS  14   2.495   8.040   0.969
  124    HZ3  LYS  14           1HZ      LYS  14   2.886   7.587   2.490
  125    H    HIS  15           H        HIS  15   5.359   0.742   1.154
  126    HA   HIS  15           HA       HIS  15   7.839   1.581   2.577
  127    HB2  HIS  15           2HB      HIS  15   5.811   0.740   3.782
  128    HB3  HIS  15           1HB      HIS  15   6.012  -0.844   3.055
  129    HD2  HIS  15           HD2      HIS  15   8.003  -2.419   4.019
  130    HE1  HIS  15           HE1      HIS  15   9.064  -0.024   7.256
  131    HE2  HIS  15           HE2      HIS  15   9.405  -2.381   6.282
  132    H    ILE  16           H        ILE  16   7.084  -1.135   0.421
  133    HA   ILE  16           HA       ILE  16   9.750  -2.429   0.825
  134    HB   ILE  16           HB       ILE  16   7.618  -3.162  -1.256
  135   HG12  ILE  16          1HG1      ILE  16   8.345  -4.662   1.356
  136   HG13  ILE  16          2HG1      ILE  16   7.030  -3.494   1.310
  137   HG21  ILE  16          1HG2      ILE  16  10.147  -4.732  -0.431
  138   HG22  ILE  16          2HG2      ILE  16   8.877  -5.303  -1.541
  139   HG23  ILE  16          3HG2      ILE  16   9.886  -3.930  -1.997
  140   HD11  ILE  16          3HD1      ILE  16   5.850  -4.845  -0.484
  141   HD12  ILE  16          1HD1      ILE  16   7.104  -6.103  -0.321
  142   HD13  ILE  16          2HD1      ILE  16   6.063  -5.702   1.060
  143    H    LYS  17           H        LYS  17   8.322  -0.731  -2.077
  144    HA   LYS  17           HA       LYS  17  10.772  -0.782  -3.608
  145    HB2  LYS  17           2HB      LYS  17   8.518  -0.437  -4.598
  146    HB3  LYS  17           1HB      LYS  17   8.351   1.115  -3.805
  147    HG2  LYS  17           1HG      LYS  17   8.788   1.380  -6.179
  148    HG3  LYS  17           2HG      LYS  17  10.064   2.147  -5.259
  149    HD2  LYS  17           1HD      LYS  17  11.563   0.129  -5.694
  150    HD3  LYS  17           2HD      LYS  17  10.252  -0.645  -6.590
  151    HE2  LYS  17           2HE      LYS  17  10.270   1.274  -8.265
  152    HE3  LYS  17           1HE      LYS  17  11.582   2.047  -7.362
  153    HZ1  LYS  17           2HZ      LYS  17  12.937   0.068  -7.771
  154    HZ3  LYS  17           1HZ      LYS  17  11.725  -0.646  -8.604
  155    H    ASP  18           H        ASP  18   9.484   2.008  -1.688
  156    HA   ASP  18           HA       ASP  18  11.936   3.614  -2.112
  157    HB2  ASP  18           1HB      ASP  18   9.608   4.572  -1.698
  158    HB3  ASP  18           2HB      ASP  18   9.731   4.092  -0.016
  159    HD2  ASP  18           HD2      ASP  18  11.769   6.714   0.905
  160    H    GLY  19           H        GLY  19  10.759   1.712   0.725
  161    HA2  GLY  19           2HA      GLY  19  13.154   2.316   2.392
  162    HA3  GLY  19           1HA      GLY  19  11.871   1.205   2.795
  163    H    LYS  20           H        LYS  20  11.929  -0.948   1.557
  164    HA   LYS  20           HA       LYS  20  14.366  -1.946   0.451
  165    HB2  LYS  20           2HB      LYS  20  15.227  -1.640   2.927
  166    HB3  LYS  20           1HB      LYS  20  14.131  -2.942   3.382
  167    HG2  LYS  20           1HG      LYS  20  15.333  -4.491   1.760
  168    HG3  LYS  20           2HG      LYS  20  16.405  -3.165   1.300
  169    HD2  LYS  20           1HD      LYS  20  17.219  -2.996   3.696
  170    HD3  LYS  20           2HD      LYS  20  16.142  -4.320   4.154
  171    HE2  LYS  20           1HE      LYS  20  17.366  -5.873   2.551
  172    HE3  LYS  20           2HE      LYS  20  18.444  -4.547   2.091
  173    HZ1  LYS  20           2HZ      LYS  20  18.151  -5.627   4.841
  174    HZ3  LYS  20           1HZ      LYS  20  19.147  -4.402   4.416
  175    HN1  NH2  21           2HN      NH2  21  11.372  -4.637   1.482
  176    HN2  NH2  21           1HN      NH2  21  11.986  -3.485   2.771
  Start of MODEL   15
    1    H1   ACE   1           3HA      ACE   1 -19.064  -3.282   0.686
    2    H2   ACE   1           1HA      ACE   1 -18.461  -2.019  -0.423
    3    H3   ACE   1           2HA      ACE   1 -18.443  -1.746   1.348
    4    H    ASN   1           H        ASN   1 -14.915  -2.906   0.669
    5    HA   ASN   1           HA       ASN   1 -16.657  -0.515  -0.004
    6    HB2  ASN   1           1HB      ASN   1 -16.521  -0.670   2.545
    7    HB3  ASN   1           2HB      ASN   1 -14.783  -0.499   2.460
    8   HD21  ASN   1          1HD2      ASN   1 -14.041   1.613   2.488
    9   HD22  ASN   1          2HD2      ASN   1 -15.107   3.090   2.270
   10    H    GLU   2           H        GLU   2 -15.726   0.224  -1.742
   11    HA   GLU   2           HA       GLU   2 -13.241  -0.257  -2.817
   12    HB2  GLU   2           2HB      GLU   2 -15.351   0.891  -3.886
   13    HB3  GLU   2           1HB      GLU   2 -14.735   2.407  -3.264
   14    HG2  GLU   2           2HG      GLU   2 -12.627   2.113  -4.670
   15    HG3  GLU   2           1HG      GLU   2 -13.225   0.560  -5.244
   16    HE2  GLU   2           HE2      GLU   2 -15.507   1.871  -7.487
   17    H    VAL   3           H        VAL   3 -13.765   2.470  -0.598
   18    HA   VAL   3           HA       VAL   3 -11.113   3.704  -1.032
   19    HB   VAL   3           HB       VAL   3 -13.052   4.103   1.328
   20   HG11  VAL   3          3HG2      VAL   3 -10.725   5.884   0.372
   21   HG12  VAL   3          1HG2      VAL   3 -11.880   6.282   1.679
   22   HG13  VAL   3          2HG2      VAL   3 -10.763   4.919   1.870
   23   HG21  VAL   3          1HG1      VAL   3 -14.217   4.762  -0.774
   24   HG22  VAL   3          2HG1      VAL   3 -12.841   5.788  -1.252
   25   HG23  VAL   3          3HG1      VAL   3 -13.822   6.195   0.185
   26    H    SER   4           H        SER   4 -12.436   1.860   1.698
   27    HA   SER   4           HA       SER   4 -10.091   1.354   3.198
   28    HB2  SER   4           1HB      SER   4 -12.374  -0.668   2.820
   29    HB3  SER   4           2HB      SER   4 -11.147  -0.737   4.088
   30    HG   SER   4           HG       SER   4 -11.815   1.337   4.759
   31    H    GLU   5           H        GLU   5 -11.236  -1.001   0.740
   32    HA   GLU   5           HA       GLU   5  -8.989  -2.682   0.670
   33    HB2  GLU   5           1HB      GLU   5  -9.642  -3.562  -1.490
   34    HB3  GLU   5           2HB      GLU   5 -10.983  -3.393  -0.389
   35    HG2  GLU   5           2HG      GLU   5 -11.578  -1.207  -1.674
   36    HG3  GLU   5           1HG      GLU   5 -10.339  -1.640  -2.856
   37    HE2  GLU   5           HE2      GLU   5 -10.588  -3.412  -4.010
   38    H    ARG   6           H        ARG   6  -9.280   0.212  -1.393
   39    HA   ARG   6           HA       ARG   6  -6.648  -0.228  -2.685
   40    HB2  ARG   6           1HB      ARG   6  -8.659   1.159  -3.683
   41    HB3  ARG   6           2HB      ARG   6  -8.211   2.452  -2.573
   42    HG2  ARG   6           1HG      ARG   6  -5.826   2.361  -3.659
   43    HG3  ARG   6           2HG      ARG   6  -6.506   1.268  -4.875
   44    HD2  ARG   6           1HD      ARG   6  -8.141   3.057  -5.578
   45    HD3  ARG   6           2HD      ARG   6  -7.536   4.149  -4.342
   46   HH11  ARG   6          1HH2      ARG   6  -5.600   4.841  -3.722
   47   HH12  ARG   6          2HH2      ARG   6  -4.113   5.705  -4.362
   48   HH21  ARG   6          1HH1      ARG   6  -4.509   4.500  -7.562
   49   HH22  ARG   6          2HH1      ARG   6  -3.540   5.523  -6.387
   50    H    VAL   7           H        VAL   7  -7.566   2.095  -0.014
   51    HA   VAL   7           HA       VAL   7  -5.054   3.229   0.451
   52    HB   VAL   7           HB       VAL   7  -7.240   2.491   2.464
   53   HG11  VAL   7          3HG2      VAL   7  -4.815   4.315   3.014
   54   HG12  VAL   7          1HG2      VAL   7  -6.259   4.159   4.054
   55   HG13  VAL   7          2HG2      VAL   7  -5.184   2.773   3.826
   56   HG21  VAL   7          1HG1      VAL   7  -7.834   4.221   0.672
   57   HG22  VAL   7          2HG1      VAL   7  -7.852   4.898   2.306
   58   HG23  VAL   7          3HG1      VAL   7  -6.481   5.226   1.217
   59    H    HIS   8           H        HIS   8  -6.091   0.100   2.003
   60    HA   HIS   8           HA       HIS   8  -3.769  -0.652   3.280
   61    HB2  HIS   8           1HB      HIS   8  -6.177  -1.822   2.983
   62    HB3  HIS   8           2HB      HIS   8  -5.390  -2.757   1.739
   63    HD2  HIS   8           HD2      HIS   8  -2.662  -3.545   2.796
   64    HE1  HIS   8           HE1      HIS   8  -4.431  -4.770   6.367
   65    HE2  HIS   8           HE2      HIS   8  -2.285  -5.053   4.972
   66    H    VAL   9           H        VAL   9  -4.556  -1.526  -0.138
   67    HA   VAL   9           HA       VAL   9  -2.005  -2.897  -0.610
   68    HB   VAL   9           HB       VAL   9  -2.634  -3.284  -2.814
   69   HG11  VAL   9          1HG1      VAL   9  -3.895  -4.636  -1.143
   70   HG12  VAL   9          2HG1      VAL   9  -5.261  -3.501  -1.259
   71   HG13  VAL   9          3HG1      VAL   9  -4.777  -4.456  -2.678
   72   HG21  VAL   9          3HG2      VAL   9  -4.959  -1.299  -2.712
   73   HG22  VAL   9          1HG2      VAL   9  -4.579  -2.396  -4.063
   74   HG23  VAL   9          2HG2      VAL   9  -3.465  -1.086  -3.654
   75    H    TYR  10           H        TYR  10  -2.940   0.463  -1.070
   76    HA   TYR  10           HA       TYR  10  -0.654   1.224  -2.789
   77    HB2  TYR  10           2HB      TYR  10  -2.983   2.455  -2.510
   78    HB3  TYR  10           1HB      TYR  10  -2.356   3.086  -0.998
   79    HD1  TYR  10           HD1      TYR  10  -1.378   2.783  -4.676
   80    HD2  TYR  10           HD2      TYR  10  -1.375   5.265  -1.160
   81    HE1  TYR  10           HE1      TYR  10  -0.490   4.658  -5.991
   82    HE2  TYR  10           HE2      TYR  10  -0.486   7.129  -2.485
   83    HH   TYR  10           HH       TYR  10   0.171   6.777  -5.973
   84    H    HIS  11           H        HIS  11  -1.213   1.381   0.767
   85    HA   HIS  11           HA       HIS  11   1.363   2.626   1.441
   86    HB2  HIS  11           1HB      HIS  11  -0.791   1.196   3.072
   87    HB3  HIS  11           2HB      HIS  11   0.769   1.441   3.801
   88    HD2  HIS  11           HD2      HIS  11  -1.954   3.657   1.996
   89    HE1  HIS  11           HE1      HIS  11   0.052   6.104   4.698
   90    HE2  HIS  11           HE2      HIS  11  -1.915   6.098   3.041
   91    H    ILE  12           H        ILE  12   0.469  -0.816   1.042
   92    HA   ILE  12           HA       ILE  12   2.930  -1.992   2.117
   93    HB   ILE  12           HB       ILE  12   0.955  -3.090   0.035
   94   HG12  ILE  12          2HG1      ILE  12   1.332  -3.920   2.991
   95   HG13  ILE  12          1HG1      ILE  12   0.149  -2.718   2.477
   96   HG21  ILE  12          1HG2      ILE  12   3.239  -4.657   1.413
   97   HG22  ILE  12          2HG2      ILE  12   1.962  -5.372   0.396
   98   HG23  ILE  12          3HG2      ILE  12   3.128  -4.269  -0.322
   99   HD11  ILE  12          3HD1      ILE  12  -1.037  -4.421   1.046
  100   HD12  ILE  12          1HD1      ILE  12   0.108  -5.674   1.595
  101   HD13  ILE  12          2HD1      ILE  12  -0.962  -4.890   2.763
  102    H    LEU  13           H        LEU  13   2.118  -0.902  -1.214
  103    HA   LEU  13           HA       LEU  13   4.647  -1.591  -2.479
  104    HB2  LEU  13           2HB      LEU  13   2.649   0.674  -3.143
  105    HB3  LEU  13           1HB      LEU  13   3.970   0.275  -4.210
  106    HG   LEU  13           HG       LEU  13   1.763  -1.740  -3.441
  107   HD11  LEU  13          3HD2      LEU  13   0.741  -1.250  -5.658
  108   HD12  LEU  13          1HD2      LEU  13   0.769   0.203  -4.643
  109   HD13  LEU  13          2HD2      LEU  13   1.949   0.023  -5.966
  110   HD21  LEU  13          1HD1      LEU  13   3.867  -1.851  -5.708
  111   HD22  LEU  13          2HD1      LEU  13   3.856  -2.866  -4.245
  112   HD23  LEU  13          3HD1      LEU  13   2.560  -3.032  -5.440
  113    H    LYS  14           H        LYS  14   3.661   1.567  -0.984
  114    HA   LYS  14           HA       LYS  14   5.986   3.094  -1.307
  115    HB2  LYS  14           1HB      LYS  14   4.335   3.038   1.276
  116    HB3  LYS  14           2HB      LYS  14   5.466   4.299   0.819
  117    HG2  LYS  14           1HG      LYS  14   4.059   4.903  -1.169
  118    HG3  LYS  14           2HG      LYS  14   2.924   3.617  -0.763
  119    HD2  LYS  14           2HD      LYS  14   2.587   4.730   1.547
  120    HD3  LYS  14           1HD      LYS  14   3.588   6.071   0.979
  121    HE2  LYS  14           1HE      LYS  14   1.917   6.434  -0.947
  122    HE3  LYS  14           2HE      LYS  14   0.930   5.120  -0.285
  123    HZ1  LYS  14           2HZ      LYS  14   1.642   7.609   1.166
  124    HZ3  LYS  14           1HZ      LYS  14   0.727   6.397   1.772
  125    H    HIS  15           H        HIS  15   5.513   0.780   1.338
  126    HA   HIS  15           HA       HIS  15   8.100   1.262   2.702
  127    HB2  HIS  15           2HB      HIS  15   6.107   0.353   3.891
  128    HB3  HIS  15           1HB      HIS  15   6.160  -1.113   2.928
  129    HD2  HIS  15           HD2      HIS  15   8.150  -2.908   3.481
  130    HE1  HIS  15           HE1      HIS  15   9.390  -1.177   7.062
  131    HE2  HIS  15           HE2      HIS  15   9.611  -3.328   5.667
  132    H    ILE  16           H        ILE  16   7.122  -1.111   0.262
  133    HA   ILE  16           HA       ILE  16   9.631  -2.670   0.320
  134    HB   ILE  16           HB       ILE  16   7.536  -2.621  -1.922
  135   HG12  ILE  16          1HG1      ILE  16   7.885  -4.755   0.296
  136   HG13  ILE  16          2HG1      ILE  16   6.752  -3.424   0.491
  137   HG21  ILE  16          1HG2      ILE  16   9.793  -4.664  -1.376
  138   HG22  ILE  16          2HG2      ILE  16   9.710  -3.537  -2.750
  139   HG23  ILE  16          3HG2      ILE  16   8.522  -4.834  -2.613
  140   HD11  ILE  16          3HD1      ILE  16   6.539  -5.546  -1.727
  141   HD12  ILE  16          1HD1      ILE  16   5.512  -5.362  -0.291
  142   HD13  ILE  16          2HD1      ILE  16   5.477  -4.121  -1.566
  143    H    LYS  17           H        LYS  17   8.512  -0.127  -2.035
  144    HA   LYS  17           HA       LYS  17  11.060  -0.076  -3.489
  145    HB2  LYS  17           2HB      LYS  17  10.263   1.844  -4.700
  146    HB3  LYS  17           1HB      LYS  17   9.040   0.601  -4.606
  147    HG2  LYS  17           1HG      LYS  17   7.881   1.965  -2.747
  148    HG3  LYS  17           2HG      LYS  17   9.065   3.237  -2.994
  149    HD2  LYS  17           2HD      LYS  17   8.325   3.567  -5.349
  150    HD3  LYS  17           1HD      LYS  17   7.289   2.152  -5.267
  151    HE2  LYS  17           1HE      LYS  17   5.882   4.112  -5.115
  152    HE3  LYS  17           2HE      LYS  17   5.797   3.252  -3.585
  153    HZ1  LYS  17           2HZ      LYS  17   7.466   5.656  -4.115
  154    HZ3  LYS  17           1HZ      LYS  17   7.401   4.869  -2.684
  155    H    ASP  18           H        ASP  18   9.944   1.965  -0.770
  156    HA   ASP  18           HA       ASP  18  12.279   3.768  -0.845
  157    HB2  ASP  18           2HB      ASP  18  10.026   4.350   0.153
  158    HB3  ASP  18           1HB      ASP  18  10.329   3.252   1.487
  159    HD2  ASP  18           HD2      ASP  18  12.386   5.425   3.200
  160    H    GLY  19           H        GLY  19  11.529   0.951   1.293
  161    HA2  GLY  19           1HA      GLY  19  14.125   0.984   2.715
  162    HA3  GLY  19           2HA      GLY  19  12.944  -0.306   2.759
  163    H    LYS  20           H        LYS  20  12.832  -1.633   0.775
  164    HA   LYS  20           HA       LYS  20  13.779  -2.933  -1.136
  165    HB2  LYS  20           1HB      LYS  20  15.255  -0.799  -1.647
  166    HB3  LYS  20           2HB      LYS  20  16.555  -1.692  -0.864
  167    HG2  LYS  20           2HG      LYS  20  14.900  -2.713  -3.270
  168    HG3  LYS  20           1HG      LYS  20  16.405  -1.819  -3.394
  169    HD2  LYS  20           1HD      LYS  20  17.605  -3.663  -2.106
  170    HD3  LYS  20           2HD      LYS  20  16.106  -4.598  -2.104
  171    HE2  LYS  20           1HE      LYS  20  16.087  -4.602  -4.641
  172    HE3  LYS  20           2HE      LYS  20  17.592  -3.670  -4.653
  173    HZ1  LYS  20           2HZ      LYS  20  18.682  -5.479  -3.498
  174    HZ3  LYS  20           1HZ      LYS  20  18.029  -5.996  -4.905
  175    HN1  NH2  21           2HN      NH2  21  16.291  -4.374   1.826
  176    HN2  NH2  21           1HN      NH2  21  16.175  -2.561   1.551
  Start of MODEL   16
    1    H1   ACE   1           3HA      ACE   1 -14.840  -5.060   0.879
    2    H2   ACE   1           1HA      ACE   1 -16.354  -5.505   0.055
    3    H3   ACE   1           2HA      ACE   1 -16.401  -4.942   1.743
    4    H    ASN   1           H        ASN   1 -15.133  -2.752   1.949
    5    HA   ASN   1           HA       ASN   1 -16.578  -0.737   0.253
    6    HB2  ASN   1           2HB      ASN   1 -16.423  -0.539   2.756
    7    HB3  ASN   1           1HB      ASN   1 -14.689  -0.317   2.656
    8   HD21  ASN   1          1HD2      ASN   1 -14.039   1.807   2.512
    9   HD22  ASN   1          2HD2      ASN   1 -15.141   3.212   2.089
   10    H    GLU   2           H        GLU   2 -15.716  -0.143  -1.600
   11    HA   GLU   2           HA       GLU   2 -13.236  -0.604  -2.691
   12    HB2  GLU   2           1HB      GLU   2 -15.431   0.308  -3.814
   13    HB3  GLU   2           2HB      GLU   2 -14.882   1.915  -3.383
   14    HG2  GLU   2           2HG      GLU   2 -12.797   1.575  -4.810
   15    HG3  GLU   2           1HG      GLU   2 -13.323  -0.060  -5.193
   16    HE2  GLU   2           HE2      GLU   2 -15.079  -0.340  -6.370
   17    H    VAL   3           H        VAL   3 -13.852   2.347  -0.808
   18    HA   VAL   3           HA       VAL   3 -11.255   3.618  -1.441
   19    HB   VAL   3           HB       VAL   3 -13.209   4.244   0.858
   20   HG11  VAL   3          1HG1      VAL   3 -12.114   6.490   0.940
   21   HG12  VAL   3          2HG1      VAL   3 -10.934   5.972  -0.300
   22   HG13  VAL   3          3HG1      VAL   3 -10.955   5.201   1.307
   23   HG21  VAL   3          3HG2      VAL   3 -13.029   5.611  -1.907
   24   HG22  VAL   3          1HG2      VAL   3 -14.039   6.150  -0.536
   25   HG23  VAL   3          2HG2      VAL   3 -14.375   4.601  -1.320
   26    H    SER   4           H        SER   4 -12.482   2.126   1.533
   27    HA   SER   4           HA       SER   4 -10.095   1.901   3.033
   28    HB2  SER   4           2HB      SER   4 -12.371   1.333   3.879
   29    HB3  SER   4           1HB      SER   4 -12.326  -0.211   3.021
   30    HG   SER   4           HG       SER   4 -10.436  -0.708   4.224
   31    H    GLU   5           H        GLU   5 -11.234  -0.805   0.963
   32    HA   GLU   5           HA       GLU   5  -8.958  -2.449   1.105
   33    HB2  GLU   5           2HB      GLU   5  -9.636  -3.667  -0.860
   34    HB3  GLU   5           1HB      GLU   5 -10.964  -3.335   0.214
   35    HG2  GLU   5           2HG      GLU   5 -11.552  -1.370  -1.444
   36    HG3  GLU   5           1HG      GLU   5 -10.360  -2.069  -2.540
   37    HE2  GLU   5           HE2      GLU   5 -10.704  -3.983  -3.361
   38    H    ARG   6           H        ARG   6  -9.353   0.072  -1.380
   39    HA   ARG   6           HA       ARG   6  -6.739  -0.498  -2.653
   40    HB2  ARG   6           1HB      ARG   6  -8.828   0.629  -3.784
   41    HB3  ARG   6           2HB      ARG   6  -8.442   2.100  -2.896
   42    HG2  ARG   6           2HG      ARG   6  -6.173   2.171  -4.066
   43    HG3  ARG   6           1HG      ARG   6  -6.624   0.728  -4.996
   44    HD2  ARG   6           1HD      ARG   6  -8.602   1.978  -5.978
   45    HD3  ARG   6           2HD      ARG   6  -8.148   3.422  -5.056
   46   HH11  ARG   6          1HH2      ARG   6  -9.048   3.970  -7.174
   47   HH12  ARG   6          2HH2      ARG   6  -8.453   4.768  -8.715
   48   HH21  ARG   6          1HH1      ARG   6  -5.250   3.546  -8.376
   49   HH22  ARG   6          2HH1      ARG   6  -6.446   4.543  -9.347
   50    H    VAL   7           H        VAL   7  -7.625   2.216  -0.368
   51    HA   VAL   7           HA       VAL   7  -5.092   3.383  -0.161
   52    HB   VAL   7           HB       VAL   7  -7.214   3.065   2.023
   53   HG11  VAL   7          3HG2      VAL   7  -6.174   5.021   3.191
   54   HG12  VAL   7          1HG2      VAL   7  -5.077   3.631   3.184
   55   HG13  VAL   7          2HG2      VAL   7  -4.793   4.982   2.059
   56   HG21  VAL   7          1HG1      VAL   7  -7.865   5.385   1.409
   57   HG22  VAL   7          2HG1      VAL   7  -7.913   4.392  -0.054
   58   HG23  VAL   7          3HG1      VAL   7  -6.550   5.492   0.211
   59    H    HIS   8           H        HIS   8  -6.180   0.582   1.907
   60    HA   HIS   8           HA       HIS   8  -3.896   0.010   3.334
   61    HB2  HIS   8           1HB      HIS   8  -6.306  -1.166   3.178
   62    HB3  HIS   8           2HB      HIS   8  -5.512  -2.292   2.108
   63    HD2  HIS   8           HD2      HIS   8  -2.821  -2.949   3.310
   64    HE1  HIS   8           HE1      HIS   8  -4.642  -3.561   7.011
   65    HE2  HIS   8           HE2      HIS   8  -2.490  -4.099   5.702
   66    H    VAL   9           H        VAL   9  -4.645  -1.359   0.074
   67    HA   VAL   9           HA       VAL   9  -2.120  -2.835  -0.147
   68    HB   VAL   9           HB       VAL   9  -2.719  -3.499  -2.303
   69   HG11  VAL   9          3HG2      VAL   9  -5.337  -3.516  -0.722
   70   HG12  VAL   9          1HG2      VAL   9  -3.967  -4.626  -0.475
   71   HG13  VAL   9          2HG2      VAL   9  -4.863  -4.642  -2.012
   72   HG21  VAL   9          1HG1      VAL   9  -3.546  -1.441  -3.435
   73   HG22  VAL   9          2HG1      VAL   9  -5.046  -1.508  -2.470
   74   HG23  VAL   9          3HG1      VAL   9  -4.679  -2.783  -3.654
   75    H    TYR  10           H        TYR  10  -2.973   0.450  -1.121
   76    HA   TYR  10           HA       TYR  10  -0.599   0.876  -2.844
   77    HB2  TYR  10           1HB      TYR  10  -2.875   2.209  -2.900
   78    HB3  TYR  10           2HB      TYR  10  -2.324   3.033  -1.450
   79    HD1  TYR  10           HD2      TYR  10  -1.086   2.194  -4.966
   80    HD2  TYR  10           HD1      TYR  10  -1.226   5.126  -1.818
   81    HE1  TYR  10           HE2      TYR  10   0.038   3.821  -6.421
   82    HE2  TYR  10           HE1      TYR  10  -0.103   6.742  -3.284
   83    HH   TYR  10           HH       TYR  10   0.783   7.118  -5.284
   84    H    HIS  11           H        HIS  11  -1.249   1.515   0.632
   85    HA   HIS  11           HA       HIS  11   1.304   2.890   1.185
   86    HB2  HIS  11           1HB      HIS  11  -0.867   1.680   2.965
   87    HB3  HIS  11           2HB      HIS  11   0.667   2.087   3.672
   88    HD2  HIS  11           HD2      HIS  11  -2.048   3.934   1.456
   89    HE1  HIS  11           HE1      HIS  11  -0.310   6.770   3.951
   90    HE2  HIS  11           HE2      HIS  11  -2.167   6.477   2.196
   91    H    ILE  12           H        ILE  12   0.389  -0.566   1.252
   92    HA   ILE  12           HA       ILE  12   2.800  -1.608   2.553
   93    HB   ILE  12           HB       ILE  12   0.858  -2.953   0.587
   94   HG12  ILE  12          2HG1      ILE  12   1.144  -3.377   3.638
   95   HG13  ILE  12          1HG1      ILE  12   0.001  -2.234   2.934
   96   HG21  ILE  12          1HG2      ILE  12   3.079  -4.348   2.226
   97   HG22  ILE  12          2HG2      ILE  12   1.811  -5.179   1.290
   98   HG23  ILE  12          3HG2      ILE  12   3.009  -4.205   0.451
   99   HD11  ILE  12          3HD1      ILE  12  -1.187  -4.091   1.715
  100   HD12  ILE  12          1HD1      ILE  12  -0.085  -5.281   2.458
  101   HD13  ILE  12          2HD1      ILE  12  -1.166  -4.325   3.481
  102    H    LEU  13           H        LEU  13   2.098  -0.995  -0.922
  103    HA   LEU  13           HA       LEU  13   4.652  -1.874  -2.007
  104    HB2  LEU  13           2HB      LEU  13   2.686   0.288  -3.020
  105    HB3  LEU  13           1HB      LEU  13   4.029  -0.251  -3.990
  106    HG   LEU  13           HG       LEU  13   1.793  -2.141  -3.014
  107   HD11  LEU  13          1HD1      LEU  13   0.842  -0.374  -4.492
  108   HD12  LEU  13          2HD1      LEU  13   2.052  -0.734  -5.748
  109   HD13  LEU  13          3HD1      LEU  13   0.829  -1.951  -5.303
  110   HD21  LEU  13          3HD2      LEU  13   2.632  -3.692  -4.802
  111   HD22  LEU  13          1HD2      LEU  13   3.952  -2.561  -5.192
  112   HD23  LEU  13          2HD2      LEU  13   3.899  -3.370  -3.607
  113    H    LYS  14           H        LYS  14   3.681   1.440  -0.936
  114    HA   LYS  14           HA       LYS  14   6.025   2.892  -1.442
  115    HB2  LYS  14           2HB      LYS  14   4.370   3.215   1.121
  116    HB3  LYS  14           1HB      LYS  14   5.508   4.387   0.483
  117    HG2  LYS  14           2HG      LYS  14   4.083   4.714  -1.561
  118    HG3  LYS  14           1HG      LYS  14   2.945   3.508  -0.963
  119    HD2  LYS  14           1HD      LYS  14   2.645   4.939   1.170
  120    HD3  LYS  14           2HD      LYS  14   3.647   6.178   0.405
  121    HE2  LYS  14           1HE      LYS  14   1.953   6.278  -1.531
  122    HE3  LYS  14           2HE      LYS  14   0.963   5.083  -0.676
  123    HZ1  LYS  14           2HZ      LYS  14   0.240   7.341  -0.267
  124    HZ3  LYS  14           1HZ      LYS  14   1.696   7.772   0.338
  125    H    HIS  15           H        HIS  15   5.458   1.029   1.530
  126    HA   HIS  15           HA       HIS  15   8.041   1.618   2.848
  127    HB2  HIS  15           2HB      HIS  15   6.006   0.974   4.129
  128    HB3  HIS  15           1HB      HIS  15   6.014  -0.624   3.404
  129    HD2  HIS  15           HD2      HIS  15   7.935  -2.378   4.253
  130    HE1  HIS  15           HE1      HIS  15   9.212  -0.161   7.539
  131    HE2  HIS  15           HE2      HIS  15   9.366  -2.507   6.494
  132    H    ILE  16           H        ILE  16   6.979  -1.124   0.869
  133    HA   ILE  16           HA       ILE  16   9.475  -2.689   1.125
  134    HB   ILE  16           HB       ILE  16   7.365  -2.935  -1.087
  135   HG12  ILE  16          1HG1      ILE  16   7.692  -4.718   1.431
  136   HG13  ILE  16          2HG1      ILE  16   6.564  -3.369   1.408
  137   HG21  ILE  16          1HG2      ILE  16   9.595  -4.917  -0.253
  138   HG22  ILE  16          2HG2      ILE  16   9.514  -4.011  -1.781
  139   HG23  ILE  16          3HG2      ILE  16   8.313  -5.255  -1.443
  140   HD11  ILE  16          3HD1      ILE  16   5.306  -4.383  -0.533
  141   HD12  ILE  16          1HD1      ILE  16   6.355  -5.824  -0.435
  142   HD13  ILE  16          2HD1      ILE  16   5.312  -5.391   0.934
  143    H    LYS  17           H        LYS  17   8.368  -0.381  -1.420
  144    HA   LYS  17           HA       LYS  17  10.710  -0.597  -3.116
  145    HB2  LYS  17           2HB      LYS  17   8.534   0.345  -3.860
  146    HB3  LYS  17           1HB      LYS  17   8.681   1.701  -2.763
  147    HG2  LYS  17           2HG      LYS  17   9.084   2.384  -5.056
  148    HG3  LYS  17           1HG      LYS  17  10.517   2.693  -4.101
  149    HD2  LYS  17           2HD      LYS  17  11.580   0.574  -5.046
  150    HD3  LYS  17           1HD      LYS  17  10.112   0.261  -5.979
  151    HE2  LYS  17           2HE      LYS  17  10.443   2.457  -7.227
  152    HE3  LYS  17           1HE      LYS  17  11.912   2.767  -6.288
  153    HZ1  LYS  17           2HZ      LYS  17  12.381   1.779  -8.430
  154    HZ3  LYS  17           1HZ      LYS  17  11.466   0.463  -8.106
  155    H    ASP  18           H        ASP  18  10.068   1.840  -0.506
  156    HA   ASP  18           HA       ASP  18  12.667   3.169  -0.834
  157    HB2  ASP  18           1HB      ASP  18  12.214   4.427   1.192
  158    HB3  ASP  18           2HB      ASP  18  10.882   4.451   0.073
  159    HD2  ASP  18           HD2      ASP  18   8.719   3.920   2.628
  160    H    GLY  19           H        GLY  19  11.751   0.477   1.321
  161    HA2  GLY  19           1HA      GLY  19  14.367   0.463   2.787
  162    HA3  GLY  19           2HA      GLY  19  13.093  -0.730   2.925
  163    H    LYS  20           H        LYS  20  12.811  -2.194   0.989
  164    HA   LYS  20           HA       LYS  20  15.432  -3.408   0.254
  165    HB2  LYS  20           2HB      LYS  20  12.525  -4.216  -0.410
  166    HB3  LYS  20           1HB      LYS  20  13.905  -5.109  -1.048
  167    HG2  LYS  20           1HG      LYS  20  14.702  -5.614   1.293
  168    HG3  LYS  20           2HG      LYS  20  13.369  -4.684   1.957
  169    HD2  LYS  20           1HD      LYS  20  12.712  -6.975   2.131
  170    HD3  LYS  20           2HD      LYS  20  11.703  -6.245   0.904
  171    HE2  LYS  20           1HE      LYS  20  12.294  -8.459   0.135
  172    HE3  LYS  20           2HE      LYS  20  13.136  -7.329  -0.917
  173    HZ1  LYS  20           2HZ      LYS  20  15.143  -7.698   0.437
  174    HZ3  LYS  20           1HZ      LYS  20  14.342  -8.746   1.403
  175    HN1  NH2  21           2HN      NH2  21  13.911  -1.878  -3.311
  176    HN2  NH2  21           1HN      NH2  21  12.727  -2.426  -2.020
  Start of MODEL   17
    1    H1   ACE   1           3HA      ACE   1 -18.910   1.082   2.476
    2    H2   ACE   1           1HA      ACE   1 -17.431   0.191   2.021
    3    H3   ACE   1           2HA      ACE   1 -18.966  -0.103   1.144
    4    H    ASN   1           H        ASN   1 -17.194   2.379  -1.090
    5    HA   ASN   1           HA       ASN   1 -16.776  -0.467  -0.163
    6    HB2  ASN   1           1HB      ASN   1 -17.798  -1.562  -2.039
    7    HB3  ASN   1           2HB      ASN   1 -18.992  -0.588  -1.239
    8   HD21  ASN   1          2HD2      ASN   1 -17.338  -1.133  -4.220
    9   HD22  ASN   1          1HD2      ASN   1 -18.253   0.120  -5.196
   10    H    GLU   2           H        GLU   2 -15.321  -1.626  -1.517
   11    HA   GLU   2           HA       GLU   2 -13.076  -1.875  -2.028
   12    HB2  GLU   2           2HB      GLU   2 -14.628  -1.627  -4.144
   13    HB3  GLU   2           1HB      GLU   2 -13.911  -0.050  -4.364
   14    HG2  GLU   2           2HG      GLU   2 -11.627  -1.128  -4.660
   15    HG3  GLU   2           1HG      GLU   2 -12.315  -2.708  -4.306
   16    HE2  GLU   2           HE2      GLU   2 -13.747  -3.169  -7.415
   17    H    VAL   3           H        VAL   3 -13.555   1.317  -1.019
   18    HA   VAL   3           HA       VAL   3 -10.901   2.388  -1.688
   19    HB   VAL   3           HB       VAL   3 -12.841   3.310   0.517
   20   HG11  VAL   3          1HG1      VAL   3 -11.683   5.524   0.343
   21   HG12  VAL   3          2HG1      VAL   3 -10.530   4.841  -0.840
   22   HG13  VAL   3          3HG1      VAL   3 -10.554   4.254   0.842
   23   HG21  VAL   3          3HG2      VAL   3 -13.622   5.083  -1.078
   24   HG22  VAL   3          1HG2      VAL   3 -14.026   3.465  -1.662
   25   HG23  VAL   3          2HG2      VAL   3 -12.657   4.344  -2.387
   26    H    SER   4           H        SER   4 -12.242   1.165   1.359
   27    HA   SER   4           HA       SER   4  -9.928   1.095   2.987
   28    HB2  SER   4           2HB      SER   4 -12.225   0.544   3.772
   29    HB3  SER   4           1HB      SER   4 -12.119  -1.056   3.030
   30    HG   SER   4           HG       SER   4 -10.275  -1.430   4.345
   31    H    GLU   5           H        GLU   5 -10.927  -1.799   1.104
   32    HA   GLU   5           HA       GLU   5  -8.620  -3.356   1.438
   33    HB2  GLU   5           1HB      GLU   5  -9.204  -4.705  -0.510
   34    HB3  GLU   5           2HB      GLU   5 -10.538  -4.392   0.572
   35    HG2  GLU   5           2HG      GLU   5 -11.380  -2.603  -1.044
   36    HG3  GLU   5           1HG      GLU   5 -10.080  -3.028  -2.167
   37    HE2  GLU   5           HE2      GLU   5 -13.356  -5.341  -1.724
   38    H    ARG   6           H        ARG   6  -9.004  -1.086  -1.294
   39    HA   ARG   6           HA       ARG   6  -6.338  -1.709  -2.412
   40    HB2  ARG   6           2HB      ARG   6  -8.414  -0.742  -3.706
   41    HB3  ARG   6           1HB      ARG   6  -8.069   0.817  -2.964
   42    HG2  ARG   6           2HG      ARG   6  -5.771   0.801  -4.079
   43    HG3  ARG   6           1HG      ARG   6  -6.182  -0.736  -4.868
   44    HD2  ARG   6           2HD      ARG   6  -8.148   0.382  -6.020
   45    HD3  ARG   6           1HD      ARG   6  -7.734   1.918  -5.239
   46   HH11  ARG   6          2HH2      ARG   6  -8.585   2.234  -7.424
   47   HH12  ARG   6          1HH2      ARG   6  -7.959   2.879  -9.024
   48   HH21  ARG   6          2HH1      ARG   6  -4.753   1.743  -8.482
   49   HH22  ARG   6          1HH1      ARG   6  -5.934   2.619  -9.580
   50    H    VAL   7           H        VAL   7  -7.337   1.194  -0.431
   51    HA   VAL   7           HA       VAL   7  -4.840   2.438  -0.285
   52    HB   VAL   7           HB       VAL   7  -7.006   2.277   1.872
   53   HG11  VAL   7          1HG1      VAL   7  -4.618   4.231   1.794
   54   HG12  VAL   7          2HG1      VAL   7  -4.936   2.999   3.040
   55   HG13  VAL   7          3HG1      VAL   7  -6.040   4.370   2.866
   56   HG21  VAL   7          3HG2      VAL   7  -7.682   4.522   1.024
   57   HG22  VAL   7          1HG2      VAL   7  -7.689   3.383  -0.328
   58   HG23  VAL   7          2HG2      VAL   7  -6.347   4.528  -0.157
   59    H    HIS   8           H        HIS   8  -5.906  -0.180   2.018
   60    HA   HIS   8           HA       HIS   8  -3.659  -0.549   3.565
   61    HB2  HIS   8           1HB      HIS   8  -6.051  -1.789   3.409
   62    HB3  HIS   8           2HB      HIS   8  -5.191  -2.981   2.472
   63    HD2  HIS   8           HD2      HIS   8  -2.654  -3.671   3.782
   64    HE1  HIS   8           HE1      HIS   8  -4.510  -3.769   7.515
   65    HE2  HIS   8           HE2      HIS   8  -2.402  -4.591   6.286
   66    H    VAL   9           H        VAL   9  -4.243  -2.192   0.406
   67    HA   VAL   9           HA       VAL   9  -1.666  -3.614   0.403
   68    HB   VAL   9           HB       VAL   9  -2.170  -4.472  -1.709
   69   HG11  VAL   9          1HG1      VAL   9  -4.275  -5.678  -1.390
   70   HG12  VAL   9          2HG1      VAL   9  -3.429  -5.509   0.165
   71   HG13  VAL   9          3HG1      VAL   9  -4.832  -4.479  -0.204
   72   HG21  VAL   9          3HG2      VAL   9  -3.056  -2.526  -3.008
   73   HG22  VAL   9          1HG2      VAL   9  -4.081  -3.957  -3.180
   74   HG23  VAL   9          2HG2      VAL   9  -4.582  -2.636  -2.099
   75    H    TYR  10           H        TYR  10  -2.613  -0.458  -0.869
   76    HA   TYR  10           HA       TYR  10  -0.204  -0.071  -2.563
   77    HB2  TYR  10           2HB      TYR  10  -2.500   1.189  -2.820
   78    HB3  TYR  10           1HB      TYR  10  -2.073   2.111  -1.389
   79    HD1  TYR  10           HD2      TYR  10  -1.074   1.393  -4.942
   80    HD2  TYR  10           HD1      TYR  10  -0.450   3.962  -1.545
   81    HE1  TYR  10           HE2      TYR  10   0.165   2.976  -6.356
   82    HE2  TYR  10           HE1      TYR  10   0.782   5.536  -2.971
   83    HH   TYR  10           HH       TYR  10   1.278   4.897  -6.443
   84    H    HIS  11           H        HIS  11  -1.008   0.866   0.822
   85    HA   HIS  11           HA       HIS  11   1.494   2.369   1.281
   86    HB2  HIS  11           2HB      HIS  11  -0.727   1.299   3.122
   87    HB3  HIS  11           1HB      HIS  11   0.761   1.839   3.835
   88    HD2  HIS  11           HD2      HIS  11  -1.868   3.361   1.274
   89    HE1  HIS  11           HE1      HIS  11  -0.534   6.441   3.728
   90    HE2  HIS  11           HE2      HIS  11  -2.192   5.930   1.828
   91    H    ILE  12           H        ILE  12   0.672  -1.069   1.862
   92    HA   ILE  12           HA       ILE  12   3.190  -1.722   3.259
   93    HB   ILE  12           HB       ILE  12   1.247  -3.558   1.745
   94   HG12  ILE  12          2HG1      ILE  12   1.662  -3.197   4.790
   95   HG13  ILE  12          1HG1      ILE  12   0.390  -2.387   3.871
   96   HG21  ILE  12          1HG2      ILE  12   3.603  -4.422   3.557
   97   HG22  ILE  12          2HG2      ILE  12   2.374  -5.509   2.860
   98   HG23  ILE  12          3HG2      ILE  12   3.495  -4.669   1.797
   99   HD11  ILE  12          3HD1      ILE  12  -0.567  -4.332   4.985
  100   HD12  ILE  12          1HD1      ILE  12  -0.612  -4.617   3.226
  101   HD13  ILE  12          2HD1      ILE  12   0.601  -5.438   4.246
  102    H    LEU  13           H        LEU  13   2.244  -2.003  -0.215
  103    HA   LEU  13           HA       LEU  13   4.869  -2.854  -1.184
  104    HB2  LEU  13           1HB      LEU  13   2.549  -1.405  -2.622
  105    HB3  LEU  13           2HB      LEU  13   3.952  -1.963  -3.497
  106    HG   LEU  13           HG       LEU  13   2.117  -3.851  -1.895
  107   HD11  LEU  13          1HD1      LEU  13   1.101  -4.486  -4.071
  108   HD12  LEU  13          2HD1      LEU  13   2.092  -3.277  -4.928
  109   HD13  LEU  13          3HD1      LEU  13   0.853  -2.759  -3.758
  110   HD21  LEU  13          3HD2      LEU  13   3.205  -5.677  -3.236
  111   HD22  LEU  13          1HD2      LEU  13   4.293  -4.493  -4.002
  112   HD23  LEU  13          2HD2      LEU  13   4.406  -4.820  -2.256
  113    H    LYS  14           H        LYS  14   3.451   0.516  -1.084
  114    HA   LYS  14           HA       LYS  14   5.604   1.934  -2.167
  115    HB2  LYS  14           1HB      LYS  14   3.348   2.809  -1.559
  116    HB3  LYS  14           2HB      LYS  14   3.819   2.891   0.134
  117    HG2  LYS  14           1HG      LYS  14   5.616   4.578  -0.472
  118    HG3  LYS  14           2HG      LYS  14   5.190   4.421  -2.178
  119    HD2  LYS  14           1HD      LYS  14   2.844   5.240  -1.658
  120    HD3  LYS  14           2HD      LYS  14   3.288   5.420   0.042
  121    HE2  LYS  14           1HE      LYS  14   5.065   7.121  -0.600
  122    HE3  LYS  14           2HE      LYS  14   4.634   6.931  -2.306
  123    HZ1  LYS  14           2HZ      LYS  14   2.784   7.855  -0.177
  124    HZ3  LYS  14           1HZ      LYS  14   2.387   7.679  -1.753
  125    H    HIS  15           H        HIS  15   5.334   1.040   1.252
  126    HA   HIS  15           HA       HIS  15   7.779   2.397   2.217
  127    HB2  HIS  15           2HB      HIS  15   5.872   1.861   3.722
  128    HB3  HIS  15           1HB      HIS  15   6.131   0.140   3.495
  129    HD2  HIS  15           HD2      HIS  15   8.284  -0.986   4.756
  130    HE1  HIS  15           HE1      HIS  15   9.209   2.280   7.168
  131    HE2  HIS  15           HE2      HIS  15   9.712  -0.225   6.868
  132    H    ILE  16           H        ILE  16   7.179  -0.943   1.200
  133    HA   ILE  16           HA       ILE  16   9.876  -1.972   1.806
  134    HB   ILE  16           HB       ILE  16   7.834  -3.166  -0.146
  135   HG12  ILE  16          2HG1      ILE  16   8.457  -4.092   2.746
  136   HG13  ILE  16          1HG1      ILE  16   7.159  -2.950   2.424
  137   HG21  ILE  16          1HG2      ILE  16  10.117  -4.072  -0.611
  138   HG22  ILE  16          2HG2      ILE  16  10.342  -4.474   1.108
  139   HG23  ILE  16          3HG2      ILE  16   9.116  -5.321   0.131
  140   HD11  ILE  16          3HD1      ILE  16   6.177  -5.168   2.596
  141   HD12  ILE  16          1HD1      ILE  16   7.241  -5.831   1.338
  142   HD13  ILE  16          2HD1      ILE  16   6.002  -4.620   0.913
  143    H    LYS  17           H        LYS  17   8.489  -0.838  -1.348
  144    HA   LYS  17           HA       LYS  17  11.003  -1.124  -2.838
  145    HB2  LYS  17           2HB      LYS  17   8.677   0.789  -3.506
  146    HB3  LYS  17           1HB      LYS  17   9.970   0.327  -4.588
  147    HG2  LYS  17           2HG      LYS  17   7.676  -1.470  -3.602
  148    HG3  LYS  17           1HG      LYS  17   7.934  -0.814  -5.199
  149    HD2  LYS  17           1HD      LYS  17  10.019  -2.191  -5.481
  150    HD3  LYS  17           2HD      LYS  17   9.814  -2.884  -3.880
  151    HE2  LYS  17           2HE      LYS  17   7.768  -3.190  -6.186
  152    HE3  LYS  17           1HE      LYS  17   9.028  -4.359  -5.799
  153    HZ1  LYS  17           2HZ      LYS  17   8.045  -4.629  -3.597
  154    HZ3  LYS  17           1HZ      LYS  17   6.868  -3.547  -3.937
  155    H    ASP  18           H        ASP  18   9.694   1.826  -1.197
  156    HA   ASP  18           HA       ASP  18  11.941   3.502  -2.073
  157    HB2  ASP  18           2HB      ASP  18  11.192   5.238  -0.584
  158    HB3  ASP  18           1HB      ASP  18   9.883   4.579  -1.523
  159    HD2  ASP  18           HD2      ASP  18   7.966   4.693   1.275
  160    H    GLY  19           H        GLY  19  11.623   1.494   0.847
  161    HA2  GLY  19           1HA      GLY  19  14.143   2.525   2.112
  162    HA3  GLY  19           2HA      GLY  19  13.171   1.181   2.677
  163    H    LYS  20           H        LYS  20  13.268  -0.841   1.318
  164    HA   LYS  20           HA       LYS  20  16.131  -1.530   0.709
  165    HB2  LYS  20           1HB      LYS  20  13.574  -3.256   0.844
  166    HB3  LYS  20           2HB      LYS  20  15.117  -3.925   0.316
  167    HG2  LYS  20           1HG      LYS  20  16.180  -3.271   2.512
  168    HG3  LYS  20           2HG      LYS  20  14.638  -2.616   3.069
  169    HD2  LYS  20           1HD      LYS  20  13.570  -4.898   2.809
  170    HD3  LYS  20           2HD      LYS  20  15.113  -5.557   2.255
  171    HE2  LYS  20           1HE      LYS  20  16.177  -4.944   4.485
  172    HE3  LYS  20           2HE      LYS  20  14.631  -4.284   5.040
  173    HZ1  LYS  20           2HZ      LYS  20  13.649  -6.468   4.789
  174    HZ3  LYS  20           1HZ      LYS  20  14.928  -6.518   5.806
  175    HN1  NH2  21           2HN      NH2  21  14.021  -1.882  -2.863
  176    HN2  NH2  21           1HN      NH2  21  13.153  -2.271  -1.294
  Start of MODEL   18
    1    H1   ACE   1           3HA      ACE   1 -15.854  -3.465   3.003
    2    H2   ACE   1           1HA      ACE   1 -14.813  -3.120   1.595
    3    H3   ACE   1           2HA      ACE   1 -16.580  -3.319   1.380
    4    H    ASN   1           H        ASN   1 -16.176   0.438   1.585
    5    HA   ASN   1           HA       ASN   1 -15.261  -1.756  -0.270
    6    HB2  ASN   1           2HB      ASN   1 -17.047  -1.630  -1.863
    7    HB3  ASN   1           1HB      ASN   1 -17.708  -2.065  -0.318
    8   HD21  ASN   1          2HD2      ASN   1 -17.791   0.263  -2.859
    9   HD22  ASN   1          1HD2      ASN   1 -19.124   1.302  -2.149
   10    H    GLU   2           H        GLU   2 -14.625  -0.928  -2.295
   11    HA   GLU   2           HA       GLU   2 -12.917   0.140  -3.407
   12    HB2  GLU   2           1HB      GLU   2 -15.265   1.137  -3.993
   13    HB3  GLU   2           2HB      GLU   2 -14.838   2.523  -3.014
   14    HG2  GLU   2           1HG      GLU   2 -12.842   2.991  -4.539
   15    HG3  GLU   2           2HG      GLU   2 -13.258   1.576  -5.502
   16    HE2  GLU   2           HE2      GLU   2 -14.185   4.653  -4.482
   17    H    VAL   3           H        VAL   3 -13.596   2.113  -0.599
   18    HA   VAL   3           HA       VAL   3 -11.003   3.606  -0.739
   19    HB   VAL   3           HB       VAL   3 -13.108   3.501   1.510
   20   HG11  VAL   3          1HG1      VAL   3 -10.743   5.446   1.160
   21   HG12  VAL   3          2HG1      VAL   3 -10.908   4.202   2.426
   22   HG13  VAL   3          3HG1      VAL   3 -12.030   5.574   2.397
   23   HG21  VAL   3          3HG2      VAL   3 -14.091   4.570  -0.518
   24   HG22  VAL   3          1HG2      VAL   3 -12.701   5.675  -0.647
   25   HG23  VAL   3          2HG2      VAL   3 -13.820   5.780   0.742
   26    H    SER   4           H        SER   4 -12.366   1.318   1.613
   27    HA   SER   4           HA       SER   4 -10.043   0.582   3.034
   28    HB2  SER   4           1HB      SER   4 -11.127  -1.534   3.677
   29    HB3  SER   4           2HB      SER   4 -12.236  -0.170   3.742
   30    HG   SER   4           HG       SER   4 -13.143  -1.991   2.762
   31    H    GLU   5           H        GLU   5 -11.135  -1.341   0.203
   32    HA   GLU   5           HA       GLU   5  -8.886  -2.988  -0.093
   33    HB2  GLU   5           1HB      GLU   5  -9.507  -3.442  -2.419
   34    HB3  GLU   5           2HB      GLU   5 -10.814  -3.567  -1.265
   35    HG2  GLU   5           2HG      GLU   5 -11.697  -1.326  -2.031
   36    HG3  GLU   5           1HG      GLU   5 -10.395  -1.208  -3.224
   37    HE2  GLU   5           HE2      GLU   5 -11.735  -3.511  -5.434
   38    H    ARG   6           H        ARG   6  -9.181   0.166  -1.738
   39    HA   ARG   6           HA       ARG   6  -6.534  -0.048  -3.029
   40    HB2  ARG   6           2HB      ARG   6  -8.571   1.412  -3.826
   41    HB3  ARG   6           1HB      ARG   6  -8.186   2.543  -2.533
   42    HG2  ARG   6           2HG      ARG   6  -5.883   2.901  -3.577
   43    HG3  ARG   6           1HG      ARG   6  -6.331   1.810  -4.903
   44    HD2  ARG   6           2HD      ARG   6  -8.258   3.344  -5.514
   45    HD3  ARG   6           1HD      ARG   6  -7.806   4.438  -4.195
   46   HH11  ARG   6          1HH2      ARG   6  -8.635   5.613  -6.074
   47   HH12  ARG   6          2HH2      ARG   6  -7.981   6.816  -7.295
   48   HH21  ARG   6          2HH1      ARG   6  -4.812   5.467  -7.263
   49   HH22  ARG   6          1HH1      ARG   6  -5.961   6.737  -7.921
   50    H    VAL   7           H        VAL   7  -7.461   1.861  -0.064
   51    HA   VAL   7           HA       VAL   7  -4.932   2.879   0.560
   52    HB   VAL   7           HB       VAL   7  -7.141   1.953   2.466
   53   HG11  VAL   7          1HG1      VAL   7  -6.133   3.437   4.219
   54   HG12  VAL   7          2HG1      VAL   7  -4.695   3.689   3.189
   55   HG13  VAL   7          3HG1      VAL   7  -5.072   2.073   3.837
   56   HG21  VAL   7          3HG2      VAL   7  -6.369   4.800   1.513
   57   HG22  VAL   7          1HG2      VAL   7  -7.736   4.365   2.571
   58   HG23  VAL   7          2HG2      VAL   7  -7.734   3.866   0.874
   59    H    HIS   8           H        HIS   8  -6.096  -0.396   1.675
   60    HA   HIS   8           HA       HIS   8  -3.862  -1.399   2.931
   61    HB2  HIS   8           2HB      HIS   8  -6.297  -2.405   2.354
   62    HB3  HIS   8           1HB      HIS   8  -5.482  -3.181   1.022
   63    HD2  HIS   8           HD2      HIS   8  -2.952  -4.382   1.961
   64    HE1  HIS   8           HE1      HIS   8  -4.846  -5.855   5.372
   65    HE2  HIS   8           HE2      HIS   8  -2.747  -6.196   3.921
   66    H    VAL   9           H        VAL   9  -4.499  -1.675  -0.613
   67    HA   VAL   9           HA       VAL   9  -1.986  -3.106  -1.175
   68    HB   VAL   9           HB       VAL   9  -2.523  -3.116  -3.443
   69   HG11  VAL   9          3HG2      VAL   9  -4.695  -4.232  -3.564
   70   HG12  VAL   9          1HG2      VAL   9  -3.871  -4.678  -2.052
   71   HG13  VAL   9          2HG2      VAL   9  -5.206  -3.500  -2.028
   72   HG21  VAL   9          1HG1      VAL   9  -4.736  -1.060  -3.083
   73   HG22  VAL   9          2HG1      VAL   9  -4.451  -1.988  -4.573
   74   HG23  VAL   9          3HG1      VAL   9  -3.238  -0.827  -4.008
   75    H    TYR  10           H        TYR  10  -2.792   0.339  -1.163
   76    HA   TYR  10           HA       TYR  10  -0.352   1.218  -2.614
   77    HB2  TYR  10           2HB      TYR  10  -2.580   2.595  -2.378
   78    HB3  TYR  10           1HB      TYR  10  -2.135   2.895  -0.707
   79    HD1  TYR  10           HD1      TYR  10  -1.080   3.484  -4.273
   80    HD2  TYR  10           HD2      TYR  10  -0.446   4.604  -0.165
   81    HE1  TYR  10           HE1      TYR  10   0.274   5.404  -4.995
   82    HE2  TYR  10           HE2      TYR  10   0.898   6.522  -0.903
   83    HH   TYR  10           HH       TYR  10   1.481   7.159  -4.360
   84    H    HIS  11           H        HIS  11  -1.153   0.887   0.889
   85    HA   HIS  11           HA       HIS  11   1.408   1.985   1.853
   86    HB2  HIS  11           1HB      HIS  11  -0.869   0.397   3.177
   87    HB3  HIS  11           2HB      HIS  11   0.640   0.555   4.024
   88    HD2  HIS  11           HD2      HIS  11  -1.904   3.052   2.277
   89    HE1  HIS  11           HE1      HIS  11  -0.378   4.930   5.658
   90    HE2  HIS  11           HE2      HIS  11  -2.074   5.247   3.750
   91    H    ILE  12           H        ILE  12   0.461  -1.380   1.082
   92    HA   ILE  12           HA       ILE  12   2.937  -2.610   2.120
   93    HB   ILE  12           HB       ILE  12   0.960  -3.666   0.017
   94   HG12  ILE  12          1HG1      ILE  12   1.313  -4.479   2.980
   95   HG13  ILE  12          2HG1      ILE  12   0.081  -3.351   2.411
   96   HG21  ILE  12          1HG2      ILE  12   2.008  -5.927   0.320
   97   HG22  ILE  12          2HG2      ILE  12   3.183  -4.787  -0.322
   98   HG23  ILE  12          3HG2      ILE  12   3.242  -5.231   1.401
   99   HD11  ILE  12          3HD1      ILE  12  -0.939  -5.545   2.713
  100   HD12  ILE  12          1HD1      ILE  12   0.213  -6.325   1.619
  101   HD13  ILE  12          2HD1      ILE  12  -0.963  -5.145   0.977
  102    H    LEU  13           H        LEU  13   2.016  -1.506  -1.192
  103    HA   LEU  13           HA       LEU  13   4.616  -2.023  -2.432
  104    HB2  LEU  13           1HB      LEU  13   2.357  -0.054  -3.192
  105    HB3  LEU  13           2HB      LEU  13   3.738  -0.299  -4.230
  106    HG   LEU  13           HG       LEU  13   1.810  -2.567  -3.431
  107   HD11  LEU  13          1HD1      LEU  13   0.788  -2.301  -5.679
  108   HD12  LEU  13          2HD1      LEU  13   0.615  -0.805  -4.744
  109   HD13  LEU  13          3HD1      LEU  13   1.841  -0.906  -6.032
  110   HD21  LEU  13          3HD2      LEU  13   3.973  -2.484  -5.644
  111   HD22  LEU  13          1HD2      LEU  13   2.825  -3.816  -5.356
  112   HD23  LEU  13          2HD2      LEU  13   4.056  -3.436  -4.142
  113    H    LYS  14           H        LYS  14   3.310   1.089  -1.048
  114    HA   LYS  14           HA       LYS  14   5.502   2.752  -1.518
  115    HB2  LYS  14           1HB      LYS  14   3.249   3.368  -0.595
  116    HB3  LYS  14           2HB      LYS  14   3.753   2.819   0.997
  117    HG2  LYS  14           2HG      LYS  14   5.598   4.602   0.959
  118    HG3  LYS  14           1HG      LYS  14   5.053   5.093  -0.646
  119    HD2  LYS  14           2HD      LYS  14   2.722   5.588   0.383
  120    HD3  LYS  14           1HD      LYS  14   3.395   5.190   1.953
  121    HE2  LYS  14           2HE      LYS  14   3.427   7.580   1.822
  122    HE3  LYS  14           1HE      LYS  14   5.111   7.085   1.671
  123    HZ1  LYS  14           2HZ      LYS  14   4.924   7.383  -0.727
  124    HZ3  LYS  14           1HZ      LYS  14   4.555   8.763   0.067
  125    H    HIS  15           H        HIS  15   5.180   0.658   1.320
  126    HA   HIS  15           HA       HIS  15   7.662   1.480   2.704
  127    HB2  HIS  15           2HB      HIS  15   5.730   0.478   3.912
  128    HB3  HIS  15           1HB      HIS  15   5.939  -1.041   3.058
  129    HD2  HIS  15           HD2      HIS  15   8.068  -2.609   3.786
  130    HE1  HIS  15           HE1      HIS  15   9.041  -0.526   7.259
  131    HE2  HIS  15           HE2      HIS  15   9.494  -2.740   6.028
  132    H    ILE  16           H        ILE  16   6.973  -1.181   0.469
  133    HA   ILE  16           HA       ILE  16   9.621  -2.466   0.657
  134    HB   ILE  16           HB       ILE  16   7.587  -2.753  -1.621
  135   HG12  ILE  16          1HG1      ILE  16   8.090  -4.709   0.732
  136   HG13  ILE  16          2HG1      ILE  16   6.823  -3.493   0.818
  137   HG21  ILE  16          1HG2      ILE  16   8.798  -4.899  -2.158
  138   HG22  ILE  16          2HG2      ILE  16  10.011  -4.535  -0.905
  139   HG23  ILE  16          3HG2      ILE  16   9.861  -3.504  -2.346
  140   HD11  ILE  16          3HD1      ILE  16   5.797  -5.584   0.138
  141   HD12  ILE  16          1HD1      ILE  16   5.691  -4.450  -1.229
  142   HD13  ILE  16          2HD1      ILE  16   6.890  -5.772  -1.248
  143    H    LYS  17           H        LYS  17   8.323  -0.170  -1.852
  144    HA   LYS  17           HA       LYS  17  10.853   0.016  -3.289
  145    HB2  LYS  17           1HB      LYS  17   9.982   1.814  -4.576
  146    HB3  LYS  17           2HB      LYS  17   8.782   0.556  -4.410
  147    HG2  LYS  17           1HG      LYS  17   7.557   1.981  -2.678
  148    HG3  LYS  17           2HG      LYS  17   8.762   3.248  -2.894
  149    HD2  LYS  17           2HD      LYS  17   8.173   3.400  -5.350
  150    HD3  LYS  17           1HD      LYS  17   6.951   2.141  -5.137
  151    HE2  LYS  17           2HE      LYS  17   5.676   3.615  -3.532
  152    HE3  LYS  17           1HE      LYS  17   6.919   4.868  -3.665
  153    HZ1  LYS  17           2HZ      LYS  17   6.425   5.001  -6.044
  154    HZ3  LYS  17           1HZ      LYS  17   5.278   3.842  -5.917
  155    H    ASP  18           H        ASP  18   9.655   2.136  -0.636
  156    HA   ASP  18           HA       ASP  18  11.981   3.948  -0.824
  157    HB2  ASP  18           1HB      ASP  18  11.255   5.029   1.204
  158    HB3  ASP  18           2HB      ASP  18   9.958   4.849   0.057
  159    HD2  ASP  18           HD2      ASP  18   8.380   4.975   1.228
  160    H    GLY  19           H        GLY  19  11.464   1.014   1.120
  161    HA2  GLY  19           2HA      GLY  19  13.986   1.342   2.714
  162    HA3  GLY  19           1HA      GLY  19  12.920  -0.047   2.728
  163    H    LYS  20           H        LYS  20  12.965  -1.398   0.816
  164    HA   LYS  20           HA       LYS  20  14.006  -2.646  -1.074
  165    HB2  LYS  20           1HB      LYS  20  15.148  -0.391  -1.798
  166    HB3  LYS  20           2HB      LYS  20  16.567  -0.980  -0.930
  167    HG2  LYS  20           2HG      LYS  20  16.578  -3.068  -2.366
  168    HG3  LYS  20           1HG      LYS  20  15.151  -2.481  -3.224
  169    HD2  LYS  20           2HD      LYS  20  16.448  -0.437  -3.980
  170    HD3  LYS  20           1HD      LYS  20  17.875  -1.026  -3.118
  171    HE2  LYS  20           2HE      LYS  20  17.903  -3.107  -4.584
  172    HE3  LYS  20           1HE      LYS  20  16.474  -2.518  -5.446
  173    HZ1  LYS  20           2HZ      LYS  20  19.078  -1.101  -5.300
  174    HZ3  LYS  20           1HZ      LYS  20  17.759  -0.557  -6.097
  175    HN1  NH2  21           2HN      NH2  21  16.810  -3.673   1.791
  176    HN2  NH2  21           1HN      NH2  21  16.394  -1.899   1.549
  Start of MODEL   19
    1    H1   ACE   1           3HA      ACE   1 -15.786  -4.903  -0.348
    2    H2   ACE   1           1HA      ACE   1 -16.307  -4.279   1.236
    3    H3   ACE   1           2HA      ACE   1 -14.570  -4.316   0.812
    4    H    ASN   1           H        ASN   1 -15.250  -1.996   1.632
    5    HA   ASN   1           HA       ASN   1 -16.354  -0.173  -0.466
    6    HB2  ASN   1           2HB      ASN   1 -16.329   1.590   1.043
    7    HB3  ASN   1           1HB      ASN   1 -16.960   0.192   1.859
    8   HD21  ASN   1          1HD2      ASN   1 -14.525   2.580   1.861
    9   HD22  ASN   1          2HD2      ASN   1 -13.562   1.935   3.273
   10    H    GLU   2           H        GLU   2 -15.326   1.215  -1.721
   11    HA   GLU   2           HA       GLU   2 -12.837   0.789  -2.791
   12    HB2  GLU   2           2HB      GLU   2 -14.861   2.392  -3.519
   13    HB3  GLU   2           1HB      GLU   2 -13.892   3.667  -2.830
   14    HG2  GLU   2           2HG      GLU   2 -13.077   1.721  -5.105
   15    HG3  GLU   2           1HG      GLU   2 -13.687   3.345  -5.327
   16    HE2  GLU   2           HE2      GLU   2 -11.099   1.472  -4.949
   17    H    VAL   3           H        VAL   3 -13.258   3.061  -0.087
   18    HA   VAL   3           HA       VAL   3 -10.524   4.162  -0.195
   19    HB   VAL   3           HB       VAL   3 -12.508   4.188   2.161
   20   HG11  VAL   3          3HG2      VAL   3 -10.195   4.730   2.907
   21   HG12  VAL   3          1HG2      VAL   3 -11.224   6.171   2.980
   22   HG13  VAL   3          2HG2      VAL   3 -10.052   5.978   1.643
   23   HG21  VAL   3          1HG1      VAL   3 -13.566   5.345   0.225
   24   HG22  VAL   3          2HG1      VAL   3 -13.116   6.518   1.469
   25   HG23  VAL   3          3HG1      VAL   3 -12.117   6.355  -0.004
   26    H    SER   4           H        SER   4 -12.031   1.874   2.046
   27    HA   SER   4           HA       SER   4  -9.753   0.936   3.447
   28    HB2  SER   4           1HB      SER   4 -12.098   0.335   4.002
   29    HB3  SER   4           2HB      SER   4 -12.149  -0.816   2.660
   30    HG   SER   4           HG       SER   4 -10.375  -1.885   3.648
   31    H    GLU   5           H        GLU   5 -11.006  -0.802   0.565
   32    HA   GLU   5           HA       GLU   5  -8.878  -2.600   0.182
   33    HB2  GLU   5           1HB      GLU   5  -9.577  -3.013  -2.102
   34    HB3  GLU   5           2HB      GLU   5 -10.895  -2.984  -0.960
   35    HG2  GLU   5           1HG      GLU   5 -11.389  -0.567  -1.795
   36    HG3  GLU   5           2HG      GLU   5 -10.187  -0.832  -3.062
   37    HE2  GLU   5           HE2      GLU   5 -13.827  -2.602  -3.155
   38    H    ARG   6           H        ARG   6  -8.997   0.591  -1.385
   39    HA   ARG   6           HA       ARG   6  -6.401   0.247  -2.760
   40    HB2  ARG   6           1HB      ARG   6  -8.357   1.832  -3.488
   41    HB3  ARG   6           2HB      ARG   6  -7.912   2.911  -2.170
   42    HG2  ARG   6           1HG      ARG   6  -5.651   3.268  -3.184
   43    HG3  ARG   6           2HG      ARG   6  -6.032   2.186  -4.528
   44    HD2  ARG   6           1HD      ARG   6  -7.650   4.747  -3.880
   45    HD3  ARG   6           2HD      ARG   6  -6.249   4.716  -4.953
   46   HH11  ARG   6          1HH1      ARG   6  -8.038   6.230  -5.591
   47   HH12  ARG   6          2HH1      ARG   6  -9.151   6.399  -7.040
   48   HH21  ARG   6          1HH2      ARG   6  -9.307   3.004  -7.600
   49   HH22  ARG   6          2HH2      ARG   6  -9.820   4.694  -8.099
   50    H    VAL   7           H        VAL   7  -7.117   2.168   0.268
   51    HA   VAL   7           HA       VAL   7  -4.504   2.996   0.815
   52    HB   VAL   7           HB       VAL   7  -6.669   2.167   2.818
   53   HG11  VAL   7          3HG2      VAL   7  -4.102   3.779   3.400
   54   HG12  VAL   7          1HG2      VAL   7  -5.484   3.594   4.516
   55   HG13  VAL   7          2HG2      VAL   7  -4.520   2.181   4.065
   56   HG21  VAL   7          1HG1      VAL   7  -5.818   4.975   1.807
   57   HG22  VAL   7          2HG1      VAL   7  -7.114   4.626   2.980
   58   HG23  VAL   7          3HG1      VAL   7  -7.283   4.113   1.296
   59    H    HIS   8           H        HIS   8  -5.844  -0.224   1.876
   60    HA   HIS   8           HA       HIS   8  -3.657  -1.407   3.058
   61    HB2  HIS   8           1HB      HIS   8  -6.155  -2.252   2.480
   62    HB3  HIS   8           2HB      HIS   8  -5.403  -3.020   1.108
   63    HD2  HIS   8           HD2      HIS   8  -2.930  -4.389   1.955
   64    HE1  HIS   8           HE1      HIS   8  -4.842  -5.892   5.342
   65    HE2  HIS   8           HE2      HIS   8  -2.787  -6.286   3.841
   66    H    VAL   9           H        VAL   9  -4.374  -1.546  -0.475
   67    HA   VAL   9           HA       VAL   9  -1.940  -3.053  -1.151
   68    HB   VAL   9           HB       VAL   9  -2.511  -2.909  -3.413
   69   HG11  VAL   9          1HG1      VAL   9  -5.160  -3.315  -1.942
   70   HG12  VAL   9          2HG1      VAL   9  -4.728  -3.951  -3.542
   71   HG13  VAL   9          3HG1      VAL   9  -3.863  -4.522  -2.096
   72   HG21  VAL   9          3HG2      VAL   9  -4.749  -0.885  -2.927
   73   HG22  VAL   9          1HG2      VAL   9  -4.360  -1.674  -4.473
   74   HG23  VAL   9          2HG2      VAL   9  -3.214  -0.532  -3.759
   75    H    TYR  10           H        TYR  10  -2.582   0.413  -0.986
   76    HA   TYR  10           HA       TYR  10  -0.129   1.248  -2.444
   77    HB2  TYR  10           2HB      TYR  10  -2.290   2.707  -2.124
   78    HB3  TYR  10           1HB      TYR  10  -1.822   2.912  -0.444
   79    HD1  TYR  10           HD1      TYR  10  -0.589   3.495  -3.981
   80    HD2  TYR  10           HD2      TYR  10  -0.268   4.671   0.147
   81    HE1  TYR  10           HE1      TYR  10   0.799   5.418  -4.627
   82    HE2  TYR  10           HE2      TYR  10   1.108   6.593  -0.515
   83    HH   TYR  10           HH       TYR  10   1.937   7.193  -3.930
   84    H    HIS  11           H        HIS  11  -0.876   0.777   1.047
   85    HA   HIS  11           HA       HIS  11   1.744   1.760   2.009
   86    HB2  HIS  11           1HB      HIS  11  -0.569   0.198   3.315
   87    HB3  HIS  11           2HB      HIS  11   0.953   0.294   4.143
   88    HD2  HIS  11           HD2      HIS  11  -1.405   3.011   2.414
   89    HE1  HIS  11           HE1      HIS  11  -0.120   4.533   6.061
   90    HE2  HIS  11           HE2      HIS  11  -1.615   5.083   4.043
   91    H    ILE  12           H        ILE  12   0.625  -1.520   1.122
   92    HA   ILE  12           HA       ILE  12   3.056  -2.916   2.054
   93    HB   ILE  12           HB       ILE  12   0.981  -3.753  -0.052
   94   HG12  ILE  12          2HG1      ILE  12   1.364  -4.772   2.845
   95   HG13  ILE  12          1HG1      ILE  12   0.197  -3.526   2.396
   96   HG21  ILE  12          1HG2      ILE  12   1.899  -6.086   0.104
   97   HG22  ILE  12          2HG2      ILE  12   3.202  -5.519   1.178
   98   HG23  ILE  12          3HG2      ILE  12   3.118  -4.981  -0.517
   99   HD11  ILE  12          3HD1      ILE  12  -1.008  -5.148   0.879
  100   HD12  ILE  12          1HD1      ILE  12   0.101  -6.443   1.407
  101   HD13  ILE  12          2HD1      ILE  12  -0.966  -5.663   2.584
  102    H    LEU  13           H        LEU  13   2.144  -1.547  -1.149
  103    HA   LEU  13           HA       LEU  13   4.684  -2.158  -2.480
  104    HB2  LEU  13           1HB      LEU  13   2.544  -0.017  -3.106
  105    HB3  LEU  13           2HB      LEU  13   3.888  -0.310  -4.183
  106    HG   LEU  13           HG       LEU  13   1.831  -2.482  -3.443
  107   HD11  LEU  13          3HD2      LEU  13   1.912  -0.703  -5.964
  108   HD12  LEU  13          1HD2      LEU  13   0.780  -2.043  -5.648
  109   HD13  LEU  13          2HD2      LEU  13   0.724  -0.586  -4.642
  110   HD21  LEU  13          1HD1      LEU  13   3.954  -2.424  -5.695
  111   HD22  LEU  13          2HD1      LEU  13   3.999  -3.456  -4.245
  112   HD23  LEU  13          3HD1      LEU  13   2.726  -3.692  -5.454
  113    H    LYS  14           H        LYS  14   3.593   1.026  -0.984
  114    HA   LYS  14           HA       LYS  14   6.016   2.409  -1.352
  115    HB2  LYS  14           2HB      LYS  14   3.981   2.690   0.907
  116    HB3  LYS  14           1HB      LYS  14   5.341   3.769   0.757
  117    HG2  LYS  14           1HG      LYS  14   3.162   3.405  -1.376
  118    HG3  LYS  14           2HG      LYS  14   3.257   4.704  -0.211
  119    HD2  LYS  14           2HD      LYS  14   5.262   4.188  -2.498
  120    HD3  LYS  14           1HD      LYS  14   3.978   5.380  -2.486
  121    HE2  LYS  14           1HE      LYS  14   5.084   6.582  -0.533
  122    HE3  LYS  14           2HE      LYS  14   6.406   5.405  -0.566
  123    HZ1  LYS  14           2HZ      LYS  14   5.647   7.167  -2.828
  124    HZ3  LYS  14           1HZ      LYS  14   6.865   6.077  -2.854
  125    H    HIS  15           H        HIS  15   5.371   0.199   1.345
  126    HA   HIS  15           HA       HIS  15   7.847   0.858   2.856
  127    HB2  HIS  15           1HB      HIS  15   5.794   0.040   3.986
  128    HB3  HIS  15           2HB      HIS  15   5.903  -1.503   3.164
  129    HD2  HIS  15           HD2      HIS  15   7.678  -3.299   4.104
  130    HE1  HIS  15           HE1      HIS  15   9.019  -1.120   7.386
  131    HE2  HIS  15           HE2      HIS  15   9.093  -3.473   6.348
  132    H    ILE  16           H        ILE  16   6.974  -1.861   0.732
  133    HA   ILE  16           HA       ILE  16   9.645  -3.148   0.952
  134    HB   ILE  16           HB       ILE  16   7.409  -3.825  -1.041
  135   HG12  ILE  16          2HG1      ILE  16   8.211  -5.378   1.511
  136   HG13  ILE  16          1HG1      ILE  16   6.934  -4.165   1.549
  137   HG21  ILE  16          1HG2      ILE  16   9.959  -5.429  -0.351
  138   HG22  ILE  16          2HG2      ILE  16   9.607  -4.636  -1.903
  139   HG23  ILE  16          3HG2      ILE  16   8.621  -5.998  -1.380
  140   HD11  ILE  16          3HD1      ILE  16   6.840  -6.737  -0.141
  141   HD12  ILE  16          1HD1      ILE  16   5.886  -6.342   1.303
  142   HD13  ILE  16          2HD1      ILE  16   5.622  -5.436  -0.204
  143    H    LYS  17           H        LYS  17   8.122  -1.411  -1.887
  144    HA   LYS  17           HA       LYS  17  10.655  -1.471  -3.388
  145    HB2  LYS  17           2HB      LYS  17   8.443  -1.500  -4.509
  146    HB3  LYS  17           1HB      LYS  17   8.054   0.092  -3.902
  147    HG2  LYS  17           2HG      LYS  17   8.636   0.144  -6.279
  148    HG3  LYS  17           1HG      LYS  17   9.696   1.175  -5.360
  149    HD2  LYS  17           2HD      LYS  17  11.030   0.040  -7.036
  150    HD3  LYS  17           1HD      LYS  17  11.523  -0.558  -5.471
  151    HE2  LYS  17           1HE      LYS  17  11.470  -2.450  -6.970
  152    HE3  LYS  17           2HE      LYS  17  10.137  -2.677  -5.845
  153    HZ1  LYS  17           2HZ      LYS  17   9.513  -3.131  -8.125
  154    HZ3  LYS  17           1HZ      LYS  17   9.932  -1.630  -8.619
  155    H    ASP  18           H        ASP  18   8.911   1.409  -2.005
  156    HA   ASP  18           HA       ASP  18  11.289   3.122  -2.415
  157    HB2  ASP  18           2HB      ASP  18   8.857   3.912  -2.506
  158    HB3  ASP  18           1HB      ASP  18   8.798   3.838  -0.759
  159    HD2  ASP  18           HD2      ASP  18   9.858   5.240   0.371
  160    H    GLY  19           H        GLY  19  10.123   1.350   0.510
  161    HA2  GLY  19           1HA      GLY  19  12.021   2.735   2.356
  162    HA3  GLY  19           2HA      GLY  19  11.026   1.355   2.735
  163    H    LYS  20           H        LYS  20  11.804  -0.691   1.174
  164    HA   LYS  20           HA       LYS  20  14.622  -1.225   2.150
  165    HB2  LYS  20           1HB      LYS  20  12.369  -3.051   1.142
  166    HB3  LYS  20           2HB      LYS  20  14.028  -3.625   1.163
  167    HG2  LYS  20           1HG      LYS  20  12.920  -4.406   3.106
  168    HG3  LYS  20           2HG      LYS  20  14.231  -3.366   3.589
  169    HD2  LYS  20           2HD      LYS  20  11.391  -2.189   3.421
  170    HD3  LYS  20           1HD      LYS  20  11.750  -3.318   4.714
  171    HE2  LYS  20           2HE      LYS  20  13.592  -1.921   5.598
  172    HE3  LYS  20           1HE      LYS  20  13.460  -0.786   4.257
  173    HZ1  LYS  20           2HZ      LYS  20  11.196  -0.281   4.980
  174    HZ3  LYS  20           1HZ      LYS  20  11.318  -1.328   6.230
  175    HN1  NH2  21           2HN      NH2  21  14.583  -1.523  -1.994
  176    HN2  NH2  21           1HN      NH2  21  13.083  -2.035  -1.069
  Start of MODEL   20
    1    H1   ACE   1           3HA      ACE   1 -16.605  -0.177   3.675
    2    H2   ACE   1           1HA      ACE   1 -15.155   0.818   3.346
    3    H3   ACE   1           2HA      ACE   1 -14.982  -0.823   4.016
    4    H    ASN   1           H        ASN   1 -16.740   0.671   1.319
    5    HA   ASN   1           HA       ASN   1 -16.026  -1.651  -0.533
    6    HB2  ASN   1           1HB      ASN   1 -18.140   0.567  -0.842
    7    HB3  ASN   1           2HB      ASN   1 -17.771  -0.609  -2.080
    8   HD21  ASN   1          1HD2      ASN   1 -18.317  -2.849  -1.707
    9   HD22  ASN   1          2HD2      ASN   1 -19.583  -3.280  -0.450
   10    H    GLU   2           H        GLU   2 -14.711  -1.320  -2.198
   11    HA   GLU   2           HA       GLU   2 -12.771  -0.660  -3.237
   12    HB2  GLU   2           2HB      GLU   2 -14.904   0.265  -4.440
   13    HB3  GLU   2           1HB      GLU   2 -14.489   1.836  -3.793
   14    HG2  GLU   2           1HG      GLU   2 -12.270   1.773  -5.044
   15    HG3  GLU   2           2HG      GLU   2 -12.657   0.168  -5.656
   16    HE2  GLU   2           HE2      GLU   2 -14.281  -0.065  -7.019
   17    H    VAL   3           H        VAL   3 -13.573   1.831  -0.924
   18    HA   VAL   3           HA       VAL   3 -10.972   3.251  -1.176
   19    HB   VAL   3           HB       VAL   3 -13.114   3.450   1.029
   20   HG11  VAL   3          3HG2      VAL   3 -10.935   4.324   1.852
   21   HG12  VAL   3          1HG2      VAL   3 -10.775   5.364   0.413
   22   HG13  VAL   3          2HG2      VAL   3 -12.078   5.655   1.604
   23   HG21  VAL   3          1HG1      VAL   3 -13.856   5.573  -0.068
   24   HG22  VAL   3          2HG1      VAL   3 -12.719   5.295  -1.418
   25   HG23  VAL   3          3HG1      VAL   3 -14.091   4.191  -1.145
   26    H    SER   4           H        SER   4 -12.363   1.295   1.440
   27    HA   SER   4           HA       SER   4 -10.041   0.867   3.012
   28    HB2  SER   4           1HB      SER   4 -12.288  -1.183   2.611
   29    HB3  SER   4           2HB      SER   4 -11.062  -1.259   3.880
   30    HG   SER   4           HG       SER   4 -11.727   0.811   4.562
   31    H    GLU   5           H        GLU   5 -11.068  -1.507   0.522
   32    HA   GLU   5           HA       GLU   5  -8.790  -3.148   0.521
   33    HB2  GLU   5           1HB      GLU   5  -9.372  -4.004  -1.688
   34    HB3  GLU   5           2HB      GLU   5 -10.699  -3.939  -0.553
   35    HG2  GLU   5           2HG      GLU   5 -11.584  -1.857  -1.705
   36    HG3  GLU   5           1HG      GLU   5 -10.267  -1.956  -2.886
   37    HE2  GLU   5           HE2      GLU   5 -13.105  -3.291  -1.714
   38    H    ARG   6           H        ARG   6  -9.116  -0.314  -1.626
   39    HA   ARG   6           HA       ARG   6  -6.460  -0.688  -2.851
   40    HB2  ARG   6           1HB      ARG   6  -8.513   0.609  -3.864
   41    HB3  ARG   6           2HB      ARG   6  -8.140   1.930  -2.759
   42    HG2  ARG   6           2HG      ARG   6  -5.842   2.152  -3.851
   43    HG3  ARG   6           1HG      ARG   6  -6.275   0.862  -4.990
   44    HD2  ARG   6           2HD      ARG   6  -8.237   2.272  -5.822
   45    HD3  ARG   6           1HD      ARG   6  -7.780   3.543  -4.701
   46   HH11  ARG   6          1HH2      ARG   6  -7.419   1.251  -7.419
   47   HH12  ARG   6          2HH2      ARG   6  -6.463   1.464  -8.970
   48   HH21  ARG   6          2HH1      ARG   6  -4.835   4.282  -7.846
   49   HH22  ARG   6          1HH1      ARG   6  -5.099   3.064  -9.193
   50    H    VAL   7           H        VAL   7  -7.414   1.644  -0.209
   51    HA   VAL   7           HA       VAL   7  -4.901   2.778   0.234
   52    HB   VAL   7           HB       VAL   7  -7.054   2.114   2.309
   53   HG11  VAL   7          1HG1      VAL   7  -4.653   4.023   2.658
   54   HG12  VAL   7          2HG1      VAL   7  -4.957   2.529   3.578
   55   HG13  VAL   7          3HG1      VAL   7  -6.056   3.905   3.758
   56   HG21  VAL   7          3HG2      VAL   7  -7.781   3.707   0.466
   57   HG22  VAL   7          1HG2      VAL   7  -6.412   4.771   0.844
   58   HG23  VAL   7          2HG2      VAL   7  -7.710   4.513   2.038
   59    H    HIS   8           H        HIS   8  -6.005  -0.317   1.816
   60    HA   HIS   8           HA       HIS   8  -3.766  -1.087   3.220
   61    HB2  HIS   8           2HB      HIS   8  -6.173  -2.219   2.766
   62    HB3  HIS   8           1HB      HIS   8  -5.324  -3.154   1.563
   63    HD2  HIS   8           HD2      HIS   8  -2.793  -4.167   2.667
   64    HE1  HIS   8           HE1      HIS   8  -4.665  -5.167   6.256
   65    HE2  HIS   8           HE2      HIS   8  -2.559  -5.678   4.866
   66    H    VAL   9           H        VAL   9  -4.361  -1.886  -0.249
   67    HA   VAL   9           HA       VAL   9  -1.802  -3.301  -0.600
   68    HB   VAL   9           HB       VAL   9  -2.322  -3.618  -2.858
   69   HG11  VAL   9          1HG1      VAL   9  -4.984  -3.931  -1.388
   70   HG12  VAL   9          2HG1      VAL   9  -4.458  -4.818  -2.834
   71   HG13  VAL   9          3HG1      VAL   9  -3.608  -5.053  -1.289
   72   HG21  VAL   9          3HG2      VAL   9  -4.280  -2.718  -4.121
   73   HG22  VAL   9          1HG2      VAL   9  -4.632  -1.641  -2.751
   74   HG23  VAL   9          2HG2      VAL   9  -3.136  -1.436  -3.688
   75    H    TYR  10           H        TYR  10  -2.705   0.088  -1.050
   76    HA   TYR  10           HA       TYR  10  -0.287   0.841  -2.601
   77    HB2  TYR  10           1HB      TYR  10  -2.571   2.152  -2.530
   78    HB3  TYR  10           2HB      TYR  10  -2.118   2.702  -0.926
   79    HD1  TYR  10           HD2      TYR  10  -1.200   2.853  -4.562
   80    HD2  TYR  10           HD1      TYR  10  -0.415   4.485  -0.657
   81    HE1  TYR  10           HE2      TYR  10   0.060   4.702  -5.578
   82    HE2  TYR  10           HE1      TYR  10   0.840   6.328  -1.687
   83    HH   TYR  10           HH       TYR  10   1.234   6.554  -5.223
   84    H    HIS  11           H        HIS  11  -1.087   0.926   0.913
   85    HA   HIS  11           HA       HIS  11   1.429   2.238   1.731
   86    HB2  HIS  11           1HB      HIS  11  -0.804   0.763   3.248
   87    HB3  HIS  11           2HB      HIS  11   0.687   1.094   4.071
   88    HD2  HIS  11           HD2      HIS  11  -1.922   3.236   1.977
   89    HE1  HIS  11           HE1      HIS  11  -0.553   5.590   5.118
   90    HE2  HIS  11           HE2      HIS  11  -2.216   5.589   3.156
   91    H    ILE  12           H        ILE  12   0.569  -1.225   1.427
   92    HA   ILE  12           HA       ILE  12   3.069  -2.246   2.618
   93    HB   ILE  12           HB       ILE  12   1.110  -3.607   0.680
   94   HG12  ILE  12          2HG1      ILE  12   1.511  -4.048   3.716
   95   HG13  ILE  12          1HG1      ILE  12   0.260  -3.004   3.036
   96   HG21  ILE  12          1HG2      ILE  12   3.343  -4.728   0.453
   97   HG22  ILE  12          2HG2      ILE  12   3.438  -4.945   2.218
   98   HG23  ILE  12          3HG2      ILE  12   2.200  -5.794   1.258
   99   HD11  ILE  12          3HD1      ILE  12  -0.738  -5.154   3.606
  100   HD12  ILE  12          1HD1      ILE  12   0.413  -6.051   2.604
  101   HD13  ILE  12          2HD1      ILE  12  -0.780  -4.969   1.834
  102    H    LEU  13           H        LEU  13   2.143  -1.618  -0.816
  103    HA   LEU  13           HA       LEU  13   4.770  -2.231  -1.954
  104    HB2  LEU  13           1HB      LEU  13   2.458  -0.469  -3.000
  105    HB3  LEU  13           2HB      LEU  13   3.875  -0.775  -3.973
  106    HG   LEU  13           HG       LEU  13   2.045  -3.024  -2.929
  107   HD11  LEU  13          1HD1      LEU  13   2.050  -1.672  -5.704
  108   HD12  LEU  13          2HD1      LEU  13   1.082  -3.091  -5.231
  109   HD13  LEU  13          3HD1      LEU  13   0.780  -1.520  -4.465
  110   HD21  LEU  13          3HD2      LEU  13   4.346  -3.854  -3.492
  111   HD22  LEU  13          1HD2      LEU  13   4.259  -3.085  -5.095
  112   HD23  LEU  13          2HD2      LEU  13   3.171  -4.434  -4.683
  113    H    LYS  14           H        LYS  14   3.377   1.015  -1.013
  114    HA   LYS  14           HA       LYS  14   5.540   2.646  -1.704
  115    HB2  LYS  14           1HB      LYS  14   3.295   3.360  -0.879
  116    HB3  LYS  14           2HB      LYS  14   3.768   2.991   0.775
  117    HG2  LYS  14           1HG      LYS  14   5.595   4.752   0.612
  118    HG3  LYS  14           2HG      LYS  14   5.138   5.068  -1.064
  119    HD2  LYS  14           1HD      LYS  14   2.821   5.741  -0.303
  120    HD3  LYS  14           2HD      LYS  14   3.262   5.452   1.372
  121    HE2  LYS  14           2HE      LYS  14   4.631   7.536  -0.474
  122    HE3  LYS  14           1HE      LYS  14   3.306   7.894   0.632
  123    HZ1  LYS  14           2HZ      LYS  14   4.686   7.243   2.485
  124    HZ3  LYS  14           1HZ      LYS  14   5.388   8.443   1.626
  125    H    HIS  15           H        HIS  15   5.266   0.923   1.383
  126    HA   HIS  15           HA       HIS  15   7.747   1.961   2.624
  127    HB2  HIS  15           1HB      HIS  15   5.826   1.127   3.973
  128    HB3  HIS  15           2HB      HIS  15   6.054  -0.500   3.349
  129    HD2  HIS  15           HD2      HIS  15   8.199  -1.916   4.291
  130    HE1  HIS  15           HE1      HIS  15   9.174   0.674   7.403
  131    HE2  HIS  15           HE2      HIS  15   9.642  -1.695   6.516
  132    H    ILE  16           H        ILE  16   7.067  -1.020   0.824
  133    HA   ILE  16           HA       ILE  16   9.755  -2.201   1.170
  134    HB   ILE  16           HB       ILE  16   7.682  -2.921  -0.971
  135   HG12  ILE  16          2HG1      ILE  16   8.330  -4.465   1.636
  136   HG13  ILE  16          1HG1      ILE  16   7.035  -3.275   1.588
  137   HG21  ILE  16          1HG2      ILE  16   9.958  -3.706  -1.654
  138   HG22  ILE  16          2HG2      ILE  16  10.198  -4.483  -0.073
  139   HG23  ILE  16          3HG2      ILE  16   8.958  -5.086  -1.200
  140   HD11  ILE  16          3HD1      ILE  16   7.093  -5.847  -0.107
  141   HD12  ILE  16          1HD1      ILE  16   6.043  -5.474   1.276
  142   HD13  ILE  16          2HD1      ILE  16   5.857  -4.567  -0.243
  143    H    LYS  17           H        LYS  17   8.341  -0.402  -1.656
  144    HA   LYS  17           HA       LYS  17  10.811  -0.362  -3.219
  145    HB2  LYS  17           2HB      LYS  17   8.519   1.705  -3.315
  146    HB3  LYS  17           1HB      LYS  17   9.784   1.538  -4.509
  147    HG2  LYS  17           2HG      LYS  17   7.484  -0.450  -4.005
  148    HG3  LYS  17           1HG      LYS  17   7.721   0.632  -5.355
  149    HD2  LYS  17           1HD      LYS  17   9.821  -0.647  -6.038
  150    HD3  LYS  17           2HD      LYS  17   9.566  -1.739  -4.685
  151    HE2  LYS  17           2HE      LYS  17   8.723  -2.882  -6.610
  152    HE3  LYS  17           1HE      LYS  17   7.311  -2.433  -5.657
  153    HZ1  LYS  17           2HZ      LYS  17   7.022  -2.003  -8.010
  154    HZ3  LYS  17           1HZ      LYS  17   8.325  -1.018  -8.068
  155    H    ASP  18           H        ASP  18   9.662   2.125  -0.860
  156    HA   ASP  18           HA       ASP  18  11.987   3.868  -1.369
  157    HB2  ASP  18           1HB      ASP  18  11.314   5.249   0.481
  158    HB3  ASP  18           2HB      ASP  18   9.977   4.886  -0.572
  159    HD2  ASP  18           HD2      ASP  18   8.072   4.463   2.208
  160    H    GLY  19           H        GLY  19  11.570   1.216   0.959
  161    HA2  GLY  19           2HA      GLY  19  14.146   1.818   2.409
  162    HA3  GLY  19           1HA      GLY  19  13.074   0.470   2.712
  163    H    LYS  20           H        LYS  20  13.074  -1.285   1.050
  164    HA   LYS  20           HA       LYS  20  15.244  -1.599  -0.834
  165    HB2  LYS  20           2HB      LYS  20  16.634  -1.889   1.387
  166    HB3  LYS  20           1HB      LYS  20  15.754  -3.393   1.653
  167    HG2  LYS  20           1HG      LYS  20  16.601  -4.263  -0.581
  168    HG3  LYS  20           2HG      LYS  20  17.469  -2.747  -0.833
  169    HD2  LYS  20           1HD      LYS  20  18.820  -3.171   1.270
  170    HD3  LYS  20           2HD      LYS  20  17.949  -4.689   1.521
  171    HE2  LYS  20           1HE      LYS  20  18.830  -5.564  -0.700
  172    HE3  LYS  20           2HE      LYS  20  19.701  -4.044  -0.953
  173    HZ1  LYS  20           2HZ      LYS  20  20.931  -4.486   1.099
  174    HZ3  LYS  20           1HZ      LYS  20  20.127  -5.890   1.333
  175    HN1  NH2  21           2HN      NH2  21  14.122  -4.534   1.019
  176    HN2  NH2  21           1HN      NH2  21  12.628  -4.683  -0.032
  Start of MODEL   21
    1    H1   ACE   1           3HA      ACE   1 -17.730  -1.369  -1.438
    2    H2   ACE   1           1HA      ACE   1 -17.352  -2.975  -2.120
    3    H3   ACE   1           2HA      ACE   1 -16.145  -1.665  -2.220
    4    H    ASN   1           H        ASN   1 -15.410  -2.135   1.469
    5    HA   ASN   1           HA       ASN   1 -16.497   0.157  -0.137
    6    HB2  ASN   1           1HB      ASN   1 -16.457   0.190   2.366
    7    HB3  ASN   1           2HB      ASN   1 -14.711   0.122   2.368
    8   HD21  ASN   1          1HD2      ASN   1 -17.484   2.146   1.456
    9   HD22  ASN   1          2HD2      ASN   1 -16.554   3.726   1.534
   10    H    GLU   2           H        GLU   2 -15.470   0.794  -1.896
   11    HA   GLU   2           HA       GLU   2 -13.001   0.120  -2.901
   12    HB2  GLU   2           1HB      GLU   2 -15.005   1.377  -4.049
   13    HB3  GLU   2           2HB      GLU   2 -14.301   2.866  -3.452
   14    HG2  GLU   2           1HG      GLU   2 -12.182   2.389  -4.798
   15    HG3  GLU   2           2HG      GLU   2 -12.882   0.870  -5.348
   16    HE2  GLU   2           HE2      GLU   2 -13.082   4.236  -5.387
   17    H    VAL   3           H        VAL   3 -13.399   2.928  -0.764
   18    HA   VAL   3           HA       VAL   3 -10.658   3.977  -1.144
   19    HB   VAL   3           HB       VAL   3 -12.659   4.555   1.129
   20   HG11  VAL   3          1HG1      VAL   3 -10.170   6.155   0.259
   21   HG12  VAL   3          2HG1      VAL   3 -11.360   6.661   1.495
   22   HG13  VAL   3          3HG1      VAL   3 -10.351   5.231   1.773
   23   HG21  VAL   3          3HG2      VAL   3 -12.214   6.172  -1.465
   24   HG22  VAL   3          1HG2      VAL   3 -13.677   5.251  -1.037
   25   HG23  VAL   3          2HG2      VAL   3 -13.230   6.673  -0.084
   26    H    SER   4           H        SER   4 -12.187   2.312   1.593
   27    HA   SER   4           HA       SER   4  -9.932   1.675   3.172
   28    HB2  SER   4           1HB      SER   4 -12.341  -0.193   2.778
   29    HB3  SER   4           2HB      SER   4 -11.175  -0.286   4.099
   30    HG   SER   4           HG       SER   4 -11.734   1.855   4.655
   31    H    GLU   5           H        GLU   5 -11.182  -0.659   0.746
   32    HA   GLU   5           HA       GLU   5  -9.066  -2.506   0.799
   33    HB2  GLU   5           1HB      GLU   5  -9.728  -3.416  -1.342
   34    HB3  GLU   5           2HB      GLU   5 -11.080  -3.105  -0.288
   35    HG2  GLU   5           1HG      GLU   5 -11.458  -0.921  -1.686
   36    HG3  GLU   5           2HG      GLU   5 -10.240  -1.529  -2.809
   37    HE2  GLU   5           HE2      GLU   5 -13.228  -2.138  -1.308
   38    H    ARG   6           H        ARG   6  -9.093   0.320  -1.373
   39    HA   ARG   6           HA       ARG   6  -6.481  -0.346  -2.584
   40    HB2  ARG   6           2HB      ARG   6  -8.372   1.153  -3.653
   41    HB3  ARG   6           1HB      ARG   6  -7.839   2.444  -2.580
   42    HG2  ARG   6           2HG      ARG   6  -5.464   2.157  -3.638
   43    HG3  ARG   6           1HG      ARG   6  -6.198   1.057  -4.816
   44    HD2  ARG   6           1HD      ARG   6  -7.720   2.913  -5.605
   45    HD3  ARG   6           2HD      ARG   6  -7.042   4.019  -4.420
   46   HH11  ARG   6          1HH2      ARG   6  -5.061   4.605  -3.831
   47   HH12  ARG   6          2HH2      ARG   6  -3.521   5.336  -4.508
   48   HH21  ARG   6          1HH1      ARG   6  -4.005   4.013  -7.649
   49   HH22  ARG   6          2HH1      ARG   6  -2.966   5.022  -6.523
   50    H    VAL   7           H        VAL   7  -7.268   2.104   0.001
   51    HA   VAL   7           HA       VAL   7  -4.686   3.056   0.483
   52    HB   VAL   7           HB       VAL   7  -6.966   2.574   2.467
   53   HG11  VAL   7          1HG1      VAL   7  -5.885   4.217   4.019
   54   HG12  VAL   7          2HG1      VAL   7  -4.923   2.739   3.869
   55   HG13  VAL   7          3HG1      VAL   7  -4.411   4.214   3.011
   56   HG21  VAL   7          3HG2      VAL   7  -5.958   5.195   1.151
   57   HG22  VAL   7          1HG2      VAL   7  -7.384   5.008   2.204
   58   HG23  VAL   7          2HG2      VAL   7  -7.367   4.279   0.592
   59    H    HIS   8           H        HIS   8  -6.015   0.081   2.121
   60    HA   HIS   8           HA       HIS   8  -3.809  -0.819   3.500
   61    HB2  HIS   8           1HB      HIS   8  -6.310  -1.769   3.142
   62    HB3  HIS   8           2HB      HIS   8  -5.573  -2.808   1.952
   63    HD2  HIS   8           HD2      HIS   8  -3.045  -3.929   3.080
   64    HE1  HIS   8           HE1      HIS   8  -4.991  -4.753   6.675
   65    HE2  HIS   8           HE2      HIS   8  -2.905  -5.399   5.311
   66    H    VAL   9           H        VAL   9  -4.544  -1.684   0.071
   67    HA   VAL   9           HA       VAL   9  -2.121  -3.325  -0.261
   68    HB   VAL   9           HB       VAL   9  -2.714  -3.731  -2.471
   69   HG11  VAL   9          3HG2      VAL   9  -5.395  -3.652  -1.001
   70   HG12  VAL   9          1HG2      VAL   9  -4.143  -4.902  -0.800
   71   HG13  VAL   9          2HG2      VAL   9  -4.956  -4.698  -2.369
   72   HG21  VAL   9          1HG1      VAL   9  -4.765  -1.482  -2.491
   73   HG22  VAL   9          2HG1      VAL   9  -3.281  -1.554  -3.463
   74   HG23  VAL   9          3HG1      VAL   9  -4.595  -2.699  -3.778
   75    H    TYR  10           H        TYR  10  -2.742   0.103  -0.850
   76    HA   TYR  10           HA       TYR  10  -0.311   0.569  -2.494
   77    HB2  TYR  10           2HB      TYR  10  -2.462   2.085  -2.470
   78    HB3  TYR  10           1HB      TYR  10  -1.946   2.668  -0.899
   79    HD1  TYR  10           HD1      TYR  10   0.059   4.178  -0.709
   80    HD2  TYR  10           HD2      TYR  10  -1.183   2.682  -4.550
   81    HE1  TYR  10           HE1      TYR  10   1.519   5.808  -1.822
   82    HE2  TYR  10           HE2      TYR  10   0.274   4.327  -5.650
   83    HH   TYR  10           HH       TYR  10   1.746   5.972  -5.375
   84    H    HIS  11           H        HIS  11  -1.044   1.010   1.027
   85    HA   HIS  11           HA       HIS  11   1.603   2.066   1.720
   86    HB2  HIS  11           1HB      HIS  11  -0.731   0.914   3.349
   87    HB3  HIS  11           2HB      HIS  11   0.809   1.081   4.133
   88    HD2  HIS  11           HD2      HIS  11  -1.604   3.430   2.052
   89    HE1  HIS  11           HE1      HIS  11   0.269   5.766   4.939
   90    HE2  HIS  11           HE2      HIS  11  -1.511   5.871   3.084
   91    H    ILE  12           H        ILE  12   0.486  -1.326   1.606
   92    HA   ILE  12           HA       ILE  12   2.929  -2.458   2.822
   93    HB   ILE  12           HB       ILE  12   0.853  -3.779   0.981
   94   HG12  ILE  12          2HG1      ILE  12   1.253  -4.082   4.034
   95   HG13  ILE  12          1HG1      ILE  12   0.074  -2.988   3.307
   96   HG21  ILE  12          1HG2      ILE  12   3.006  -5.062   0.807
   97   HG22  ILE  12          2HG2      ILE  12   3.093  -5.192   2.582
   98   HG23  ILE  12          3HG2      ILE  12   1.793  -6.001   1.669
   99   HD11  ILE  12          3HD1      ILE  12  -1.120  -4.932   2.222
  100   HD12  ILE  12          1HD1      ILE  12  -1.068  -5.030   4.001
  101   HD13  ILE  12          2HD1      ILE  12   0.002  -6.057   3.035
  102    H    LEU  13           H        LEU  13   1.989  -1.937  -0.622
  103    HA   LEU  13           HA       LEU  13   4.556  -2.787  -1.759
  104    HB2  LEU  13           1HB      LEU  13   2.334  -0.958  -2.887
  105    HB3  LEU  13           2HB      LEU  13   3.697  -1.444  -3.863
  106    HG   LEU  13           HG       LEU  13   1.737  -3.462  -2.607
  107   HD11  LEU  13          1HD1      LEU  13   0.546  -1.981  -4.224
  108   HD12  LEU  13          2HD1      LEU  13   0.700  -3.627  -4.867
  109   HD13  LEU  13          3HD1      LEU  13   1.760  -2.332  -5.480
  110   HD21  LEU  13          3HD2      LEU  13   2.707  -5.082  -4.268
  111   HD22  LEU  13          1HD2      LEU  13   3.877  -3.852  -4.811
  112   HD23  LEU  13          2HD2      LEU  13   3.956  -4.500  -3.154
  113    H    LYS  14           H        LYS  14   3.339   0.598  -1.058
  114    HA   LYS  14           HA       LYS  14   5.561   2.044  -1.916
  115    HB2  LYS  14           1HB      LYS  14   3.305   2.898  -1.130
  116    HB3  LYS  14           2HB      LYS  14   3.839   2.712   0.526
  117    HG2  LYS  14           2HG      LYS  14   4.055   5.005  -0.000
  118    HG3  LYS  14           1HG      LYS  14   5.708   4.409   0.044
  119    HD2  LYS  14           2HD      LYS  14   5.702   4.284  -2.507
  120    HD3  LYS  14           1HD      LYS  14   4.034   4.863  -2.523
  121    HE2  LYS  14           2HE      LYS  14   4.760   7.030  -1.425
  122    HE3  LYS  14           1HE      LYS  14   6.433   6.452  -1.375
  123    HZ1  LYS  14           2HZ      LYS  14   6.378   6.288  -3.802
  124    HZ3  LYS  14           1HZ      LYS  14   4.834   6.822  -3.849
  125    H    HIS  15           H        HIS  15   5.256   0.559   1.283
  126    HA   HIS  15           HA       HIS  15   7.737   1.680   2.467
  127    HB2  HIS  15           2HB      HIS  15   5.800   0.940   3.860
  128    HB3  HIS  15           1HB      HIS  15   6.033  -0.723   3.352
  129    HD2  HIS  15           HD2      HIS  15   8.205  -2.056   4.379
  130    HE1  HIS  15           HE1      HIS  15   9.126   0.731   7.334
  131    HE2  HIS  15           HE2      HIS  15   9.633  -1.680   6.592
  132    H    ILE  16           H        ILE  16   7.032  -1.379   0.822
  133    HA   ILE  16           HA       ILE  16   9.713  -2.567   1.239
  134    HB   ILE  16           HB       ILE  16   7.615  -3.411  -0.832
  135   HG12  ILE  16          2HG1      ILE  16   8.240  -4.761   1.885
  136   HG13  ILE  16          1HG1      ILE  16   6.957  -3.566   1.744
  137   HG21  ILE  16          1HG2      ILE  16   9.884  -4.274  -1.446
  138   HG22  ILE  16          2HG2      ILE  16  10.102  -4.942   0.188
  139   HG23  ILE  16          3HG2      ILE  16   8.857  -5.601  -0.902
  140   HD11  ILE  16          3HD1      ILE  16   6.986  -6.259   0.250
  141   HD12  ILE  16          1HD1      ILE  16   5.940  -5.769   1.599
  142   HD13  ILE  16          2HD1      ILE  16   5.765  -4.979   0.015
  143    H    LYS  17           H        LYS  17   8.271  -0.942  -1.687
  144    HA   LYS  17           HA       LYS  17  10.746  -1.078  -3.232
  145    HB2  LYS  17           1HB      LYS  17   9.735   0.276  -4.900
  146    HB3  LYS  17           2HB      LYS  17   8.571  -0.881  -4.312
  147    HG2  LYS  17           2HG      LYS  17   7.498   1.037  -2.910
  148    HG3  LYS  17           1HG      LYS  17   8.662   2.123  -3.638
  149    HD2  LYS  17           1HD      LYS  17   6.814   2.513  -4.938
  150    HD3  LYS  17           2HD      LYS  17   7.727   1.445  -5.975
  151    HE2  LYS  17           1HE      LYS  17   5.331   0.601  -4.184
  152    HE3  LYS  17           2HE      LYS  17   5.202   1.055  -5.875
  153    HZ1  LYS  17           2HZ      LYS  17   6.574  -0.812  -6.484
  154    HZ3  LYS  17           1HZ      LYS  17   5.251  -1.299  -5.657
  155    H    ASP  18           H        ASP  18   9.530   1.615  -1.209
  156    HA   ASP  18           HA       ASP  18  11.797   3.415  -1.906
  157    HB2  ASP  18           2HB      ASP  18   9.680   3.654   0.317
  158    HB3  ASP  18           1HB      ASP  18  10.926   4.848   0.031
  159    HD2  ASP  18           HD2      ASP  18   9.510   6.297  -2.733
  160    H    GLY  19           H        GLY  19  11.081   1.466   1.048
  161    HA2  GLY  19           1HA      GLY  19  13.541   2.198   2.492
  162    HA3  GLY  19           2HA      GLY  19  12.495   0.846   2.873
  163    H    LYS  20           H        LYS  20  12.679  -1.040   1.202
  164    HA   LYS  20           HA       LYS  20  15.566  -1.859   1.090
  165    HB2  LYS  20           2HB      LYS  20  12.949  -3.383   0.501
  166    HB3  LYS  20           1HB      LYS  20  14.511  -4.050   0.043
  167    HG2  LYS  20           2HG      LYS  20  14.025  -5.060   2.085
  168    HG3  LYS  20           1HG      LYS  20  15.305  -3.913   2.440
  169    HD2  LYS  20           1HD      LYS  20  13.593  -2.327   3.457
  170    HD3  LYS  20           2HD      LYS  20  12.303  -3.419   2.979
  171    HE2  LYS  20           1HE      LYS  20  12.669  -3.785   5.323
  172    HE3  LYS  20           2HE      LYS  20  13.274  -5.223   4.505
  173    HZ1  LYS  20           2HZ      LYS  20  15.520  -4.347   4.740
  174    HZ3  LYS  20           1HZ      LYS  20  14.789  -4.490   6.195
  175    HN1  NH2  21           2HN      NH2  21  14.283  -1.507  -2.854
  176    HN2  NH2  21           1HN      NH2  21  13.063  -2.020  -1.583
  Start of MODEL   22
    1    H1   ACE   1           3HA      ACE   1 -15.336  -1.255   4.360
    2    H2   ACE   1           1HA      ACE   1 -14.716   0.312   3.786
    3    H3   ACE   1           2HA      ACE   1 -16.460   0.107   4.124
    4    H    ASN   1           H        ASN   1 -15.971   1.097   1.777
    5    HA   ASN   1           HA       ASN   1 -16.015  -1.135  -0.334
    6    HB2  ASN   1           1HB      ASN   1 -18.043   1.184  -0.131
    7    HB3  ASN   1           2HB      ASN   1 -17.861   0.155  -1.532
    8   HD21  ASN   1          1HD2      ASN   1 -18.276  -2.192  -1.225
    9   HD22  ASN   1          2HD2      ASN   1 -19.550  -2.675   0.007
   10    H    GLU   2           H        GLU   2 -14.849  -0.594  -2.053
   11    HA   GLU   2           HA       GLU   2 -12.975   0.148  -3.151
   12    HB2  GLU   2           1HB      GLU   2 -15.150   1.330  -4.000
   13    HB3  GLU   2           2HB      GLU   2 -14.606   2.762  -3.156
   14    HG2  GLU   2           2HG      GLU   2 -12.495   2.814  -4.593
   15    HG3  GLU   2           1HG      GLU   2 -13.025   1.348  -5.412
   16    HE2  GLU   2           HE2      GLU   2 -13.632   4.611  -4.815
   17    H    VAL   3           H        VAL   3 -13.496   2.345  -0.480
   18    HA   VAL   3           HA       VAL   3 -10.818   3.632  -0.693
   19    HB   VAL   3           HB       VAL   3 -12.841   3.683   1.629
   20   HG11  VAL   3          1HG1      VAL   3 -10.564   4.300   2.429
   21   HG12  VAL   3          2HG1      VAL   3 -10.409   5.513   1.131
   22   HG13  VAL   3          3HG1      VAL   3 -11.628   5.718   2.424
   23   HG21  VAL   3          3HG2      VAL   3 -12.425   5.795  -0.588
   24   HG22  VAL   3          1HG2      VAL   3 -13.480   5.973   0.843
   25   HG23  VAL   3          2HG2      VAL   3 -13.858   4.757  -0.383
   26    H    SER   4           H        SER   4 -12.230   1.456   1.736
   27    HA   SER   4           HA       SER   4  -9.906   0.646   3.115
   28    HB2  SER   4           2HB      SER   4 -11.052  -1.402   3.838
   29    HB3  SER   4           1HB      SER   4 -12.115  -0.002   3.885
   30    HG   SER   4           HG       SER   4 -11.998  -1.953   1.821
   31    H    GLU   5           H        GLU   5 -11.143  -1.287   0.357
   32    HA   GLU   5           HA       GLU   5  -8.969  -3.030   0.048
   33    HB2  GLU   5           1HB      GLU   5  -9.667  -3.522  -2.244
   34    HB3  GLU   5           2HB      GLU   5 -10.947  -3.563  -1.055
   35    HG2  GLU   5           2HG      GLU   5 -11.769  -1.309  -1.852
   36    HG3  GLU   5           1HG      GLU   5 -10.497  -1.270  -3.084
   37    HE2  GLU   5           HE2      GLU   5 -10.489  -2.814  -4.603
   38    H    ARG   6           H        ARG   6  -9.187   0.085  -1.686
   39    HA   ARG   6           HA       ARG   6  -6.586  -0.264  -3.034
   40    HB2  ARG   6           1HB      ARG   6  -8.583   1.266  -3.801
   41    HB3  ARG   6           2HB      ARG   6  -8.109   2.404  -2.543
   42    HG2  ARG   6           2HG      ARG   6  -5.827   2.642  -3.665
   43    HG3  ARG   6           1HG      ARG   6  -6.363   1.544  -4.954
   44    HD2  ARG   6           1HD      ARG   6  -8.240   3.149  -5.538
   45    HD3  ARG   6           2HD      ARG   6  -7.700   4.249  -4.257
   46   HH11  ARG   6          2HH1      ARG   6  -8.536   5.420  -6.135
   47   HH12  ARG   6          1HH1      ARG   6  -7.870   6.569  -7.400
   48   HH21  ARG   6          1HH2      ARG   6  -4.762   5.084  -7.436
   49   HH22  ARG   6          2HH2      ARG   6  -5.876   6.389  -8.086
   50    H    VAL   7           H        VAL   7  -7.341   1.744  -0.077
   51    HA   VAL   7           HA       VAL   7  -4.755   2.664   0.439
   52    HB   VAL   7           HB       VAL   7  -6.883   1.843   2.485
   53   HG11  VAL   7          3HG2      VAL   7  -4.395   3.607   2.971
   54   HG12  VAL   7          1HG2      VAL   7  -4.703   2.011   3.697
   55   HG13  VAL   7          2HG2      VAL   7  -5.752   3.377   4.110
   56   HG21  VAL   7          1HG1      VAL   7  -6.164   4.635   1.342
   57   HG22  VAL   7          2HG1      VAL   7  -7.431   4.283   2.545
   58   HG23  VAL   7          3HG1      VAL   7  -7.595   3.690   0.887
   59    H    HIS   8           H        HIS   8  -6.012  -0.553   1.617
   60    HA   HIS   8           HA       HIS   8  -3.791  -1.628   2.839
   61    HB2  HIS   8           2HB      HIS   8  -6.251  -2.580   2.317
   62    HB3  HIS   8           1HB      HIS   8  -5.480  -3.384   0.974
   63    HD2  HIS   8           HD2      HIS   8  -2.873  -4.529   1.945
   64    HE1  HIS   8           HE1      HIS   8  -4.805  -6.068   5.304
   65    HE2  HIS   8           HE2      HIS   8  -2.663  -6.342   3.901
   66    H    VAL   9           H        VAL   9  -4.513  -1.934  -0.687
   67    HA   VAL   9           HA       VAL   9  -2.050  -3.415  -1.297
   68    HB   VAL   9           HB       VAL   9  -2.631  -3.396  -3.564
   69   HG11  VAL   9          3HG2      VAL   9  -3.964  -4.951  -2.155
   70   HG12  VAL   9          1HG2      VAL   9  -5.274  -3.752  -2.070
   71   HG13  VAL   9          2HG2      VAL   9  -4.831  -4.471  -3.632
   72   HG21  VAL   9          1HG1      VAL   9  -4.820  -1.327  -3.144
   73   HG22  VAL   9          2HG1      VAL   9  -3.333  -1.087  -4.087
   74   HG23  VAL   9          3HG1      VAL   9  -4.557  -2.238  -4.647
   75    H    TYR  10           H        TYR  10  -2.755   0.060  -1.299
   76    HA   TYR  10           HA       TYR  10  -0.314   0.850  -2.794
   77    HB2  TYR  10           1HB      TYR  10  -2.517   2.270  -2.505
   78    HB3  TYR  10           2HB      TYR  10  -1.996   2.596  -0.861
   79    HD1  TYR  10           HD2      TYR  10  -1.128   3.103  -4.481
   80    HD2  TYR  10           HD1      TYR  10  -0.214   4.261  -0.436
   81    HE1  TYR  10           HE2      TYR  10   0.205   4.992  -5.313
   82    HE2  TYR  10           HE1      TYR  10   1.109   6.149  -1.285
   83    HH   TYR  10           HH       TYR  10   1.850   7.229  -3.075
   84    H    HIS  11           H        HIS  11  -1.043   0.487   0.708
   85    HA   HIS  11           HA       HIS  11   1.546   1.580   1.647
   86    HB2  HIS  11           2HB      HIS  11  -0.729   0.015   3.001
   87    HB3  HIS  11           1HB      HIS  11   0.785   0.199   3.831
   88    HD2  HIS  11           HD2      HIS  11  -1.611   2.783   1.944
   89    HE1  HIS  11           HE1      HIS  11  -0.479   4.458   5.574
   90    HE2  HIS  11           HE2      HIS  11  -1.923   4.901   3.493
   91    H    ILE  12           H        ILE  12   0.530  -1.727   0.770
   92    HA   ILE  12           HA       ILE  12   2.899  -3.096   1.865
   93    HB   ILE  12           HB       ILE  12   0.971  -3.959  -0.366
   94   HG12  ILE  12          2HG1      ILE  12   1.202  -5.004   2.534
   95   HG13  ILE  12          1HG1      ILE  12   0.064  -3.747   2.049
   96   HG21  ILE  12          1HG2      ILE  12   1.907  -6.276  -0.172
   97   HG22  ILE  12          2HG2      ILE  12   3.134  -5.705   0.989
   98   HG23  ILE  12          3HG2      ILE  12   3.155  -5.157  -0.706
   99   HD11  ILE  12          3HD1      ILE  12  -1.095  -5.908   2.139
  100   HD12  ILE  12          1HD1      ILE  12   0.015  -6.636   0.970
  101   HD13  ILE  12          2HD1      ILE  12  -1.082  -5.325   0.455
  102    H    LEU  13           H        LEU  13   2.218  -1.851  -1.468
  103    HA   LEU  13           HA       LEU  13   4.936  -2.414  -2.469
  104    HB2  LEU  13           1HB      LEU  13   2.634  -0.689  -3.582
  105    HB3  LEU  13           2HB      LEU  13   4.213  -0.648  -4.321
  106    HG   LEU  13           HG       LEU  13   4.157  -3.150  -4.680
  107   HD11  LEU  13          1HD1      LEU  13   1.911  -4.306  -4.737
  108   HD12  LEU  13          2HD1      LEU  13   2.393  -3.907  -3.086
  109   HD13  LEU  13          3HD1      LEU  13   1.167  -2.913  -3.914
  110   HD21  LEU  13          3HD2      LEU  13   1.955  -1.487  -6.069
  111   HD22  LEU  13          1HD2      LEU  13   3.683  -1.507  -6.500
  112   HD23  LEU  13          2HD2      LEU  13   2.707  -2.972  -6.706
  113    H    LYS  14           H        LYS  14   3.468   0.703  -1.219
  114    HA   LYS  14           HA       LYS  14   5.679   2.381  -1.547
  115    HB2  LYS  14           1HB      LYS  14   3.381   3.007  -0.772
  116    HB3  LYS  14           2HB      LYS  14   3.764   2.433   0.846
  117    HG2  LYS  14           2HG      LYS  14   5.624   4.182   0.973
  118    HG3  LYS  14           1HG      LYS  14   5.215   4.715  -0.658
  119    HD2  LYS  14           1HD      LYS  14   2.871   5.283   0.138
  120    HD3  LYS  14           2HD      LYS  14   3.296   4.801   1.772
  121    HE2  LYS  14           2HE      LYS  14   4.670   7.089   0.190
  122    HE3  LYS  14           1HE      LYS  14   3.348   7.311   1.332
  123    HZ1  LYS  14           2HZ      LYS  14   4.755   6.385   3.079
  124    HZ3  LYS  14           1HZ      LYS  14   5.993   6.172   2.034
  125    H    HIS  15           H        HIS  15   5.208   0.203   1.207
  126    HA   HIS  15           HA       HIS  15   7.565   1.053   2.794
  127    HB2  HIS  15           1HB      HIS  15   5.571  -0.032   3.830
  128    HB3  HIS  15           2HB      HIS  15   5.892  -1.523   2.959
  129    HD2  HIS  15           HD2      HIS  15   8.041  -3.025   3.788
  130    HE1  HIS  15           HE1      HIS  15   8.644  -1.034   7.396
  131    HE2  HIS  15           HE2      HIS  15   9.292  -3.179   6.131
  132    H    ILE  16           H        ILE  16   7.094  -1.534   0.422
  133    HA   ILE  16           HA       ILE  16   9.777  -2.743   0.749
  134    HB   ILE  16           HB       ILE  16   7.862  -3.087  -1.623
  135   HG12  ILE  16          2HG1      ILE  16   8.346  -5.059   0.714
  136   HG13  ILE  16          1HG1      ILE  16   7.041  -3.882   0.785
  137   HG21  ILE  16          1HG2      ILE  16   9.185  -5.171  -2.127
  138   HG22  ILE  16          2HG2      ILE  16  10.193  -3.728  -2.257
  139   HG23  ILE  16          3HG2      ILE  16  10.329  -4.769  -0.821
  140   HD11  ILE  16          3HD1      ILE  16   6.002  -4.826  -1.317
  141   HD12  ILE  16          1HD1      ILE  16   7.244  -6.107  -1.333
  142   HD13  ILE  16          2HD1      ILE  16   6.103  -5.992   0.022
  143    H    LYS  17           H        LYS  17   8.498  -0.480  -1.807
  144    HA   LYS  17           HA       LYS  17  11.101  -0.186  -3.114
  145    HB2  LYS  17           2HB      LYS  17  10.159   1.478  -4.521
  146    HB3  LYS  17           1HB      LYS  17   9.019   0.174  -4.325
  147    HG2  LYS  17           2HG      LYS  17   7.727   1.680  -2.628
  148    HG3  LYS  17           1HG      LYS  17   8.876   2.948  -2.994
  149    HD2  LYS  17           1HD      LYS  17   7.118   3.541  -4.341
  150    HD3  LYS  17           2HD      LYS  17   8.165   2.761  -5.500
  151    HE2  LYS  17           2HE      LYS  17   5.696   1.451  -4.142
  152    HE3  LYS  17           1HE      LYS  17   5.663   2.262  -5.699
  153    HZ1  LYS  17           2HZ      LYS  17   7.180   0.633  -6.584
  154    HZ3  LYS  17           1HZ      LYS  17   5.830  -0.078  -5.995
  155    H    ASP  18           H        ASP  18   9.561   1.930  -0.666
  156    HA   ASP  18           HA       ASP  18  11.768   3.920  -0.709
  157    HB2  ASP  18           1HB      ASP  18   9.492   3.541   1.331
  158    HB3  ASP  18           2HB      ASP  18  10.678   4.825   1.418
  159    HD2  ASP  18           HD2      ASP  18   9.457   6.722  -1.203
  160    H    GLY  19           H        GLY  19  10.954   1.283   1.616
  161    HA2  GLY  19           2HA      GLY  19  13.244   1.749   3.411
  162    HA3  GLY  19           1HA      GLY  19  12.260   0.302   3.362
  163    H    LYS  20           H        LYS  20  12.691  -1.122   1.326
  164    HA   LYS  20           HA       LYS  20  15.629  -1.738   1.276
  165    HB2  LYS  20           2HB      LYS  20  13.215  -3.194   0.021
  166    HB3  LYS  20           1HB      LYS  20  14.862  -3.762  -0.215
  167    HG2  LYS  20           2HG      LYS  20  13.462  -3.506   2.526
  168    HG3  LYS  20           1HG      LYS  20  13.569  -4.971   1.564
  169    HD2  LYS  20           1HD      LYS  20  16.090  -4.909   1.707
  170    HD3  LYS  20           2HD      LYS  20  16.020  -3.476   2.719
  171    HE2  LYS  20           2HE      LYS  20  14.765  -6.210   3.465
  172    HE3  LYS  20           1HE      LYS  20  16.364  -5.668   3.968
  173    HZ1  LYS  20           2HZ      LYS  20  14.710  -5.280   5.660
  174    HZ3  LYS  20           1HZ      LYS  20  13.810  -4.339   4.672
  175    HN1  NH2  21           2HN      NH2  21  14.594  -0.566  -2.579
  176    HN2  NH2  21           1HN      NH2  21  13.317  -1.384  -1.546